#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gq3 s ASP 3 N 0.00 6.30 -0.07 8.00 2.15 -1.26 -4.92 116.67 126.87 2gq3 s ASP 3 Ca 0.00 -1.88 -0.05 0.00 0.43 0.00 0.00 52.55 51.05 2gq3 s ASP 3 Cb 0.00 -2.58 0.02 0.00 -0.30 0.00 0.00 42.92 40.07 2gq3 s ASP 3 CO 0.00 -1.72 0.18 -0.13 -0.17 0.00 0.00 175.17 173.33 2gq3 s ARG 4 N 5.05 0.19 -0.19 4.34 0.52 -1.26 -2.75 118.95 124.85 2gq3 s ARG 4 Ca 0.55 0.28 -0.09 0.00 -0.52 0.00 0.00 55.73 55.96 2gq3 s ARG 4 Cb 0.01 0.04 -0.05 0.00 0.52 0.00 0.00 34.95 35.48 2gq3 s ARG 4 CO 0.03 -0.06 0.11 0.08 0.02 0.00 0.00 175.30 175.49 2gq3 s VAL 5 N 0.34 5.27 0.12 3.52 1.01 -0.47 -4.78 120.40 125.42 2gq3 s VAL 5 Ca -0.02 0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.86 2gq3 s VAL 5 Cb -0.03 -3.39 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 2gq3 s VAL 5 CO -0.01 0.46 0.74 -0.44 0.00 0.00 0.00 175.10 175.84 2gq3 s SER 6 N 0.23 7.29 -0.19 3.32 0.01 -1.26 -0.13 113.70 122.97 2gq3 s SER 6 Ca 0.08 1.53 -0.04 0.00 1.31 0.00 0.00 55.95 58.83 2gq3 s SER 6 Cb -0.11 -2.47 0.10 0.00 0.21 0.00 0.00 66.02 63.74 2gq3 s SER 6 CO -0.01 0.18 0.29 -0.69 0.41 0.00 0.00 173.24 173.42 2gq3 s VAL 7 N -0.91 -0.44 0.00 3.43 1.01 -0.06 -4.98 120.40 118.44 2gq3 s VAL 7 Ca 0.35 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.36 2gq3 s VAL 7 Cb -0.22 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.52 2gq3 s VAL 7 CO 0.24 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.88 2gq3 n GLY 8 N 5.34 3.45 0.83 4.51 0.00 -1.26 -1.25 105.19 116.81 2gq3 n GLY 8 Ca -0.05 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.01 2gq3 n GLY 8 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2gq3 n ASN 9 N 4.46 2.44 -4.91 1.61 2.85 -1.26 -4.89 115.26 115.55 2gq3 n ASN 9 Ca 0.00 -1.89 -0.30 0.00 -0.11 0.00 0.00 54.58 52.28 2gq3 n ASN 9 Cb 0.00 -0.22 -0.04 0.00 1.24 0.00 0.00 39.78 40.76 2gq3 n ASN 9 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2gq3 s LEU 10 N -1.33 4.31 -0.37 1.20 1.43 -0.38 -2.36 118.68 121.18 2gq3 s LEU 10 Ca 0.34 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.68 2gq3 s LEU 10 Cb 0.18 -2.91 0.11 0.00 0.03 0.00 0.00 46.19 43.60 2gq3 s LEU 10 CO 0.26 0.15 0.15 -0.60 0.23 0.00 0.00 176.35 176.54 2gq3 s ARG 11 N -2.60 1.04 -0.20 1.70 6.06 0.77 -0.89 118.95 124.83 2gq3 s ARG 11 Ca 0.34 -1.55 -0.12 0.00 -2.50 0.00 0.00 55.73 51.91 2gq3 s ARG 11 Cb -0.13 -2.29 -0.05 0.00 0.06 0.00 0.00 34.95 32.54 2gq3 s ARG 11 CO 0.28 -1.05 0.20 0.42 -2.50 0.00 0.00 175.30 172.65 2gq3 s ILE 12 N 1.02 5.35 0.31 4.11 -1.09 0.81 -2.05 121.20 129.67 2gq3 s ILE 12 Ca 0.13 0.32 -0.29 0.00 -2.23 0.00 0.00 60.65 58.58 2gq3 s ILE 12 Cb -0.20 -3.54 -0.12 0.00 -1.58 0.00 0.00 42.46 37.01 2gq3 s ILE 12 CO -0.13 0.39 1.42 0.00 -1.23 0.00 0.00 174.94 175.38 2gq3 n ALA 13 N 3.82 1.68 -0.09 9.38 0.00 0.40 -1.37 120.51 134.33 2gq3 n ALA 13 Ca -0.14 0.37 -0.06 0.00 0.00 0.00 0.00 53.44 53.61 2gq3 n ALA 13 Cb 0.52 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.64 2gq3 n ALA 13 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2gq3 h ARG 14 N 3.55 -0.04 -0.91 0.00 2.43 -1.85 -0.12 114.38 117.43 2gq3 h ARG 14 Ca -0.47 0.00 0.18 0.00 -0.81 0.00 0.00 59.98 58.88 2gq3 h ARG 14 Cb 1.26 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.75 2gq3 h ARG 14 CO 0.70 -0.02 0.59 -0.24 -1.51 0.00 0.00 179.97 179.49 2gq3 h VAL 15 N -0.04 0.75 0.01 0.20 3.04 -1.90 0.71 116.25 119.01 2gq3 h VAL 15 Ca 0.16 -0.20 -0.06 0.00 -1.01 0.00 0.00 66.70 65.59 2gq3 h VAL 15 Cb 0.29 0.11 0.01 0.00 -2.01 0.00 0.00 31.29 29.68 2gq3 h VAL 15 CO -0.36 0.11 -0.24 0.25 -1.01 0.00 0.00 177.57 176.32 2gq3 h LEU 16 N 0.59 0.20 -0.18 3.16 5.85 -1.57 -2.49 115.31 120.87 2gq3 h LEU 16 Ca 0.48 -0.80 0.05 0.00 0.84 0.00 0.00 57.88 58.45 2gq3 h LEU 16 Cb 0.94 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.83 2gq3 h LEU 16 CO -0.22 0.98 -0.38 0.22 -0.34 0.00 0.00 178.44 178.69 2gq3 h TYR 17 N -0.55 -1.08 -0.30 1.25 3.20 -0.50 0.41 116.97 119.40 2gq3 h TYR 17 Ca -0.03 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 2gq3 h TYR 17 Cb 1.02 0.50 -0.01 0.00 1.54 0.00 0.00 36.73 39.78 2gq3 h TYR 17 CO 0.19 -0.44 0.13 -0.44 -1.64 0.00 0.00 178.16 175.96 2gq3 h ASP 18 N -0.42 0.41 0.07 -2.11 3.32 -0.99 0.32 116.42 117.02 2gq3 h ASP 18 Ca 0.10 -0.15 0.02 0.00 0.02 0.00 0.00 57.03 57.02 2gq3 h ASP 18 Cb 0.59 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 2gq3 h ASP 18 CO -0.41 0.45 -0.23 0.15 -1.72 0.00 0.00 179.24 177.47 2gq3 h PHE 19 N 0.34 -0.61 -0.04 4.55 3.57 -1.25 0.15 116.94 123.65 2gq3 h PHE 19 Ca 0.10 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.65 2gq3 h PHE 19 Cb 0.16 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 2gq3 h PHE 19 CO -0.01 -0.32 -0.24 0.28 -2.23 0.00 0.00 178.31 175.79 2gq3 h VAL 20 N -0.40 0.44 -0.19 1.41 2.07 -0.70 0.50 116.25 119.37 2gq3 h VAL 20 Ca 0.04 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.43 2gq3 h VAL 20 Cb 0.44 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2gq3 h VAL 20 CO -0.16 0.00 -0.42 0.78 0.02 0.00 0.00 177.57 177.80 2gq3 h ASN 21 N -0.35 0.48 0.32 0.57 2.35 -0.70 0.21 115.58 118.46 2gq3 h ASN 21 Ca 0.07 -0.21 -0.11 0.00 -0.55 0.00 0.00 56.30 55.50 2gq3 h ASN 21 Cb 0.46 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 2gq3 h ASN 21 CO -0.25 0.84 -1.78 0.59 -1.65 0.00 0.00 177.43 175.19 2gq3 n ASN 22 N -4.02 0.33 0.00 5.81 3.02 0.50 -4.32 115.26 116.59 2gq3 n ASN 22 Ca -0.02 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 2gq3 n ASN 22 Cb 0.51 1.14 0.00 0.00 -0.61 0.00 0.00 39.78 40.82 2gq3 n ASN 22 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2gq3 n GLU 23 N -2.56 0.00 -0.04 3.52 1.02 0.10 -4.77 120.64 117.92 2gq3 n GLU 23 Ca -0.10 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.89 2gq3 n GLU 23 Cb 0.74 -0.34 -0.12 0.00 -0.02 0.00 0.00 31.44 31.70 2gq3 n GLU 23 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gq3 h ALA 24 N 0.00 -0.00 -0.55 0.62 0.00 -1.10 -3.38 119.26 114.85 2gq3 h ALA 24 Ca 0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 2gq3 h ALA 24 Cb 0.66 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2gq3 h ALA 24 CO 0.00 0.05 0.08 -0.07 0.00 0.00 0.00 179.25 179.32 2gq3 h LEU 25 N -0.71 0.87 -9.90 0.00 3.38 -0.82 -3.43 115.31 104.70 2gq3 h LEU 25 Ca -0.03 -0.26 -0.53 0.00 0.09 0.00 0.00 57.88 57.15 2gq3 h LEU 25 Cb 1.04 -0.23 0.07 0.00 0.09 0.00 0.00 40.66 41.63 2gq3 h LEU 25 CO 0.03 0.91 0.65 -2.84 0.09 0.00 0.00 178.44 177.29 2gq3 s PRO 26 N -5.19 4.26 0.00 1.13 0.02 -1.26 -1.80 135.00 132.15 2gq3 s PRO 26 Ca -0.12 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.15 2gq3 s PRO 26 Cb 0.12 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.64 2gq3 s PRO 26 CO 0.82 -0.29 0.00 0.41 -0.33 0.00 0.00 177.00 177.61 2gq3 n GLY 27 N 0.73 1.58 0.26 0.52 0.00 -1.26 -4.90 105.19 102.12 2gq3 n GLY 27 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2gq3 n GLY 27 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gq3 n THR 28 N -2.00 0.00 -1.41 2.61 -2.24 -0.75 -4.81 114.28 105.69 2gq3 n THR 28 Ca 0.00 -0.14 -0.15 0.00 -2.27 0.00 0.00 64.05 61.50 2gq3 n THR 28 Cb 0.00 0.46 -0.06 0.00 -2.10 0.00 0.00 70.33 68.62 2gq3 n THR 28 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2gq3 n ASP 29 N -0.62 -4.92 -4.75 3.42 8.00 -1.26 -4.98 116.55 111.44 2gq3 n ASP 29 Ca 0.12 0.37 -0.37 0.00 0.71 0.00 0.00 54.79 55.62 2gq3 n ASP 29 Cb 0.36 -4.10 -0.07 0.00 -0.02 0.00 0.00 41.12 37.29 2gq3 n ASP 29 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2gq3 s ILE 30 N -2.23 5.26 0.03 0.53 1.01 -1.26 -5.05 121.20 119.49 2gq3 s ILE 30 Ca 0.00 0.63 -0.30 0.00 0.00 0.00 0.00 60.65 60.97 2gq3 s ILE 30 Cb 0.00 -3.66 -0.06 0.00 0.01 0.00 0.00 42.46 38.76 2gq3 s ILE 30 CO 0.00 0.42 1.33 -0.62 0.00 0.00 0.00 174.94 176.06 2gq3 s ASP 31 N 0.22 6.92 0.34 3.58 2.15 -1.26 -4.92 116.67 123.70 2gq3 s ASP 31 Ca 0.19 2.10 0.06 0.00 0.43 0.00 0.00 52.55 55.33 2gq3 s ASP 31 Cb -0.14 -2.57 0.61 0.00 -0.30 0.00 0.00 42.92 40.53 2gq3 s ASP 31 CO 0.06 -0.63 1.84 -0.65 -0.17 0.00 0.00 175.17 175.63 2gq3 h PRO 32 N 7.31 0.40 -0.40 4.34 0.11 -1.97 0.14 132.00 141.92 2gq3 h PRO 32 Ca -0.39 -0.11 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 2gq3 h PRO 32 Cb 1.19 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2gq3 h PRO 32 CO 0.87 0.53 0.06 -0.44 -0.21 0.00 0.00 178.00 178.81 2gq3 h ASP 33 N 0.37 0.64 -0.31 -2.05 3.45 -2.00 -1.62 116.42 114.90 2gq3 h ASP 33 Ca 0.07 -0.26 -0.14 0.00 0.43 0.00 0.00 57.03 57.13 2gq3 h ASP 33 Cb 0.45 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 39.05 2gq3 h ASP 33 CO 0.03 0.74 -0.36 0.28 -1.57 0.00 0.00 179.24 178.35 2gq3 h SER 34 N 0.51 0.85 -0.16 6.45 0.02 -1.85 -1.69 113.55 117.69 2gq3 h SER 34 Ca 0.12 -0.48 0.03 0.00 -0.84 0.00 0.00 61.79 60.62 2gq3 h SER 34 Cb 0.37 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.61 2gq3 h SER 34 CO 0.01 1.17 -0.49 0.15 -1.14 0.00 0.00 176.83 176.52 2gq3 h PHE 35 N 0.56 -1.48 -0.67 3.45 3.57 -0.65 -0.86 116.94 120.86 2gq3 h PHE 35 Ca 0.04 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 2gq3 h PHE 35 Cb 0.95 0.67 -0.03 0.00 2.79 0.00 0.00 35.95 40.32 2gq3 h PHE 35 CO 0.07 -0.49 0.29 -1.49 -2.23 0.00 0.00 178.31 174.47 2gq3 h TRP 36 N -0.50 0.97 -0.35 0.41 4.06 -1.14 -0.30 115.95 119.10 2gq3 h TRP 36 Ca 0.03 -0.05 -0.08 0.00 2.06 0.00 0.00 58.89 60.85 2gq3 h TRP 36 Cb 0.60 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 28.45 2gq3 h TRP 36 CO -0.59 0.73 -0.12 0.00 -3.56 0.00 0.00 178.44 174.89 2gq3 h ALA 37 N 1.36 1.14 -0.66 1.49 0.00 -1.22 0.27 119.26 121.65 2gq3 h ALA 37 Ca 0.23 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2gq3 h ALA 37 Cb 0.15 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2gq3 h ALA 37 CO -0.02 0.54 0.11 0.78 0.00 0.00 0.00 179.25 180.66 2gq3 h GLY 38 N 0.96 1.16 0.65 0.00 0.00 -0.17 -1.26 103.07 104.41 2gq3 h GLY 38 Ca 0.10 -0.77 0.04 0.00 0.00 0.00 0.00 47.33 46.70 2gq3 h GLY 38 CO 0.03 0.71 0.04 -2.08 0.00 0.00 0.00 176.54 175.24 2gq3 h VAL 39 N 1.00 0.85 -0.68 4.60 2.07 -0.69 0.19 116.25 123.59 2gq3 h VAL 39 Ca 0.20 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.72 2gq3 h VAL 39 Cb 0.43 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 2gq3 h VAL 39 CO 0.01 0.02 0.40 -0.78 0.02 0.00 0.00 177.57 177.25 2gq3 h ASP 40 N 0.13 0.62 -0.04 0.57 1.82 -0.81 -0.59 116.42 118.13 2gq3 h ASP 40 Ca 0.13 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.77 2gq3 h ASP 40 Cb 0.14 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.04 2gq3 h ASP 40 CO -0.18 0.42 -0.03 0.50 -1.61 0.00 0.00 179.24 178.34 2gq3 h LYS 41 N 0.76 0.08 -0.72 0.28 3.64 -0.90 -2.16 116.57 117.55 2gq3 h LYS 41 Ca 0.29 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.68 2gq3 h LYS 41 Cb 0.11 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 2gq3 h LYS 41 CO -0.15 0.52 0.43 0.28 -2.27 0.00 0.00 179.45 178.26 2gq3 h VAL 42 N -0.36 1.02 -0.67 2.00 2.07 -0.55 0.83 116.25 120.60 2gq3 h VAL 42 Ca 0.01 -0.27 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 2gq3 h VAL 42 Cb 0.50 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 2gq3 h VAL 42 CO 0.01 0.15 0.12 0.58 0.02 0.00 0.00 177.57 178.44 2gq3 h VAL 43 N 0.80 1.26 -0.07 2.57 2.07 -1.07 -2.29 116.25 119.52 2gq3 h VAL 43 Ca 0.31 -1.02 -0.22 0.00 0.82 0.00 0.00 66.70 66.59 2gq3 h VAL 43 Cb 0.14 0.62 0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2gq3 h VAL 43 CO -0.16 0.38 -0.85 0.00 0.02 0.00 0.00 177.57 176.97 2gq3 h ALA 44 N 1.09 0.38 -0.11 1.67 0.00 -0.94 -2.26 119.26 119.09 2gq3 h ALA 44 Ca 0.21 -0.65 -0.22 0.00 0.00 0.00 0.00 54.91 54.25 2gq3 h ALA 44 Cb 0.43 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2gq3 h ALA 44 CO 0.01 0.74 -0.82 -0.44 0.00 0.00 0.00 179.25 178.75 2gq3 h ASP 45 N 0.36 0.85 0.32 0.00 5.19 -0.75 -3.38 116.42 119.01 2gq3 h ASP 45 Ca -0.07 -0.58 -0.13 0.00 -0.62 0.00 0.00 57.03 55.64 2gq3 h ASP 45 Cb 1.47 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.70 2gq3 h ASP 45 CO 0.16 1.37 -1.81 0.18 -3.12 0.00 0.00 179.24 176.02 2gq3 n LEU 46 N -3.90 0.34 -0.16 1.55 4.77 -0.87 -4.42 117.00 114.32 2gq3 n LEU 46 Ca -0.07 0.14 -0.02 0.00 -0.03 0.00 0.00 56.01 56.03 2gq3 n LEU 46 Cb 0.76 0.13 0.05 0.00 -2.33 0.00 0.00 43.42 42.04 2gq3 n LEU 46 CO 0.52 0.13 0.82 0.74 -1.33 0.00 0.00 177.39 178.27 2gq3 h THR 47 N 0.00 0.56 -0.67 -5.08 2.02 -1.58 -1.14 112.91 107.03 2gq3 h THR 47 Ca -0.17 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 2gq3 h THR 47 Cb 1.45 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 2gq3 h THR 47 CO 0.02 0.01 0.31 -0.65 0.37 0.00 0.00 175.52 175.58 2gq3 h PRO 48 N 0.07 0.95 -0.38 6.66 0.11 -1.79 -0.68 132.00 136.94 2gq3 h PRO 48 Ca 0.25 -0.13 -0.10 0.00 0.11 0.00 0.00 66.00 66.13 2gq3 h PRO 48 Cb 0.39 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 2gq3 h PRO 48 CO -0.46 0.74 -0.18 0.37 -0.21 0.00 0.00 178.00 178.26 2gq3 h GLN 49 N 0.94 0.72 -0.37 1.05 5.75 -1.73 -0.94 115.11 120.53 2gq3 h GLN 49 Ca 0.23 -0.26 0.05 0.00 -0.15 0.00 0.00 58.65 58.51 2gq3 h GLN 49 Cb 0.11 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 2gq3 h GLN 49 CO -0.03 0.85 0.12 -0.97 -2.65 0.00 0.00 178.83 176.15 2gq3 h ASN 50 N 0.64 0.11 -0.22 -0.69 -0.00 -0.70 -0.89 115.58 113.82 2gq3 h ASN 50 Ca 0.10 0.05 -0.02 0.00 -0.00 0.00 0.00 56.30 56.42 2gq3 h ASN 50 Cb 0.66 0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 39.01 2gq3 h ASN 50 CO 0.05 0.10 0.05 -0.61 -0.00 0.00 0.00 177.43 177.02 2gq3 h GLN 51 N 0.26 0.35 -0.86 6.67 5.75 -1.04 -2.08 115.11 124.16 2gq3 h GLN 51 Ca 0.17 -0.09 0.09 0.00 -0.15 0.00 0.00 58.65 58.68 2gq3 h GLN 51 Cb 0.16 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 28.60 2gq3 h GLN 51 CO -0.19 0.47 0.51 0.00 -2.65 0.00 0.00 178.83 176.97 2gq3 h ALA 52 N 0.87 1.23 -0.40 3.38 0.00 -1.00 0.10 119.26 123.45 2gq3 h ALA 52 Ca 0.07 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2gq3 h ALA 52 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2gq3 h ALA 52 CO 0.00 0.17 -0.08 -0.07 0.00 0.00 0.00 179.25 179.27 2gq3 h LEU 53 N 0.87 0.76 -0.67 0.00 3.38 -1.01 -1.36 115.31 117.28 2gq3 h LEU 53 Ca 0.41 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2gq3 h LEU 53 Cb 0.33 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 2gq3 h LEU 53 CO -0.23 0.93 0.42 -0.07 0.09 0.00 0.00 178.44 179.58 2gq3 h LEU 54 N 0.57 0.69 -0.70 1.67 3.38 -0.63 -2.44 115.31 117.85 2gq3 h LEU 54 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2gq3 h LEU 54 Cb 0.59 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2gq3 h LEU 54 CO 0.04 0.48 0.45 0.78 0.09 0.00 0.00 178.44 180.27 2gq3 h ASN 55 N 0.82 0.81 -0.82 -0.43 2.35 -0.70 -2.22 115.58 115.38 2gq3 h ASN 55 Ca 0.27 -0.03 0.06 0.00 -0.55 0.00 0.00 56.30 56.05 2gq3 h ASN 55 Cb 0.02 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.13 2gq3 h ASN 55 CO -0.10 0.60 0.54 0.00 -1.65 0.00 0.00 177.43 176.81 2gq3 h ALA 56 N 1.25 1.60 -0.14 -0.83 0.00 -1.01 0.14 119.26 120.27 2gq3 h ALA 56 Ca 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2gq3 h ALA 56 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2gq3 h ALA 56 CO -0.05 0.27 0.06 0.00 0.00 0.00 0.00 179.25 179.53 2gq3 h ARG 57 N 0.90 0.20 -0.19 0.00 3.08 -0.93 0.54 114.38 117.98 2gq3 h ARG 57 Ca 0.35 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.42 2gq3 h ARG 57 Cb 0.23 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 2gq3 h ARG 57 CO -0.13 0.27 -0.10 -0.44 -1.07 0.00 0.00 179.97 178.50 2gq3 h ASP 58 N 0.08 -0.33 -0.35 7.04 3.32 -1.08 -1.11 116.42 123.98 2gq3 h ASP 58 Ca 0.05 0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.23 2gq3 h ASP 58 Cb 0.14 0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 2gq3 h ASP 58 CO -0.01 -0.13 0.06 -0.33 -1.72 0.00 0.00 179.24 177.11 2gq3 h GLU 59 N -0.08 0.18 -0.36 3.56 5.08 -0.41 -1.61 114.58 120.93 2gq3 h GLU 59 Ca 0.11 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2gq3 h GLU 59 Cb 0.24 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2gq3 h GLU 59 CO -0.25 0.12 0.21 -0.07 -1.00 0.00 0.00 179.01 178.02 2gq3 h LEU 60 N 0.18 0.34 -0.79 1.33 3.38 -0.69 -2.50 115.31 116.57 2gq3 h LEU 60 Ca 0.17 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 2gq3 h LEU 60 Cb 0.20 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2gq3 h LEU 60 CO -0.23 0.25 0.28 -0.61 0.09 0.00 0.00 178.44 178.22 2gq3 h GLN 61 N 0.43 1.18 -0.13 1.13 5.75 -0.99 -0.54 115.11 121.94 2gq3 h GLN 61 Ca 0.14 -0.23 -0.06 0.00 -0.15 0.00 0.00 58.65 58.35 2gq3 h GLN 61 Cb 0.00 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.36 2gq3 h GLN 61 CO -0.07 0.97 -0.20 0.00 -2.65 0.00 0.00 178.83 176.89 2gq3 h ALA 62 N 1.16 1.42 -0.12 3.38 0.00 -1.07 0.19 119.26 124.21 2gq3 h ALA 62 Ca 0.26 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 2gq3 h ALA 62 Cb 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2gq3 h ALA 62 CO -0.02 0.41 -0.70 1.96 0.00 0.00 0.00 179.25 180.90 2gq3 h GLN 63 N 0.21 0.54 0.12 0.00 4.20 -0.80 -0.93 115.11 118.45 2gq3 h GLN 63 Ca 0.04 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.33 2gq3 h GLN 63 Cb 0.48 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2gq3 h GLN 63 CO 0.03 1.04 -0.06 0.82 -0.67 0.00 0.00 178.83 179.99 2gq3 h ILE 64 N 0.38 1.07 -0.94 2.54 2.04 -0.42 -1.05 117.51 121.12 2gq3 h ILE 64 Ca -0.03 -0.97 0.12 0.00 1.00 0.00 0.00 64.86 64.98 2gq3 h ILE 64 Cb 1.28 1.66 -0.14 0.00 -0.74 0.00 0.00 36.82 38.88 2gq3 h ILE 64 CO 0.13 0.22 -0.46 0.44 0.00 0.00 0.00 178.15 178.48 2gq3 h ASP 65 N -0.64 -1.69 -0.89 1.72 3.45 -0.57 -0.72 116.42 117.09 2gq3 h ASP 65 Ca -0.02 0.31 -0.02 0.00 0.43 0.00 0.00 57.03 57.74 2gq3 h ASP 65 Cb 0.49 0.81 -0.04 0.00 -0.56 0.00 0.00 39.33 40.03 2gq3 h ASP 65 CO 0.03 -0.28 0.50 0.50 -1.57 0.00 0.00 179.24 178.42 2gq3 h LYS 66 N -0.03 1.23 -0.13 3.56 3.64 -0.98 -1.08 116.57 122.78 2gq3 h LYS 66 Ca 0.26 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2gq3 h LYS 66 Cb 0.53 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2gq3 h LYS 66 CO -0.93 0.89 0.08 2.35 -2.27 0.00 0.00 179.45 179.57 2gq3 h TRP 67 N 1.24 0.17 -0.49 1.91 7.01 0.20 -1.49 115.95 124.50 2gq3 h TRP 67 Ca 0.31 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.32 2gq3 h TRP 67 Cb 0.01 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 26.99 2gq3 h TRP 67 CO 0.01 0.14 0.31 0.45 -2.79 0.00 0.00 178.44 176.56 2gq3 h HIS 68 N 0.16 0.62 0.00 2.65 3.86 -1.12 -2.14 115.15 119.18 2gq3 h HIS 68 Ca 0.05 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.22 2gq3 h HIS 68 Cb 0.01 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 2gq3 h HIS 68 CO -0.06 0.40 -0.23 0.00 0.86 0.00 0.00 177.93 178.91 2gq3 h ARG 69 N 0.67 0.00 0.10 2.45 3.08 -0.24 -2.62 114.38 117.82 2gq3 h ARG 69 Ca 0.18 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.94 2gq3 h ARG 69 Cb -0.06 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.02 2gq3 h ARG 69 CO -0.04 0.23 -1.20 0.00 -1.07 0.00 0.00 179.97 177.89 2gq3 h ARG 70 N 0.00 0.56 0.00 0.04 3.08 -1.09 -3.51 114.38 113.46 2gq3 h ARG 70 Ca -0.00 -0.74 -0.11 0.00 0.07 0.00 0.00 59.98 59.20 2gq3 h ARG 70 Cb 0.81 0.24 0.05 0.00 0.08 0.00 0.00 29.97 31.14 2gq3 h ARG 70 CO 0.03 1.32 0.11 0.54 -1.07 0.00 0.00 179.97 180.90 2gq3 n ARG 71 N -3.76 -0.40 -0.95 0.04 3.00 -0.83 -5.13 116.66 108.63 2gq3 n ARG 71 Ca -0.12 -0.54 -0.45 0.00 -0.01 0.00 0.00 57.85 56.73 2gq3 n ARG 71 Cb 0.97 -0.37 -0.09 0.00 0.00 0.00 0.00 32.46 32.97 2gq3 n ARG 71 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2gq3 n PRO 75 N -1.78 0.00 -1.59 5.56 -0.04 -1.26 -4.97 135.00 130.92 2gq3 n PRO 75 Ca 0.04 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.06 2gq3 n PRO 75 Cb 0.15 -1.14 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 2gq3 n PRO 75 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2gq3 n ILE 76 N 4.95 0.39 -2.20 0.52 5.41 -1.26 -4.95 119.36 122.22 2gq3 n ILE 76 Ca 0.42 -0.37 -0.41 0.00 1.00 0.00 0.00 62.75 63.39 2gq3 n ILE 76 Cb -0.03 -2.34 -0.03 0.00 -0.71 0.00 0.00 39.64 36.53 2gq3 n ILE 76 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2gq3 s ASP 77 N 7.39 5.87 0.16 4.38 3.68 -1.26 -4.91 116.67 131.98 2gq3 s ASP 77 Ca 1.00 0.60 -0.11 0.00 2.13 0.00 0.00 52.55 56.17 2gq3 s ASP 77 Cb -0.45 -2.54 0.03 0.00 -1.45 0.00 0.00 42.92 38.51 2gq3 s ASP 77 CO 0.39 -1.86 1.61 0.24 0.13 0.00 0.00 175.17 175.69 2gq3 h MET 78 N 12.48 0.94 -0.22 4.34 2.86 -1.98 0.19 114.93 133.54 2gq3 h MET 78 Ca -0.28 -0.30 0.05 0.00 -2.06 0.00 0.00 59.70 57.11 2gq3 h MET 78 Cb 1.13 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.65 2gq3 h MET 78 CO 1.14 0.96 -0.13 -0.44 1.06 0.00 0.00 176.91 179.50 2gq3 h ASP 79 N 0.82 -0.43 -0.62 1.22 3.32 -1.99 -0.13 116.42 118.61 2gq3 h ASP 79 Ca 0.15 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 2gq3 h ASP 79 Cb 0.53 0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 2gq3 h ASP 79 CO 0.03 -0.17 0.29 0.00 -1.72 0.00 0.00 179.24 177.67 2gq3 h ALA 80 N 1.05 0.80 0.45 3.45 0.00 -1.90 -1.35 119.26 121.76 2gq3 h ALA 80 Ca 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2gq3 h ALA 80 Cb 0.30 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2gq3 h ALA 80 CO -0.29 0.37 -0.21 -0.92 0.00 0.00 0.00 179.25 178.20 2gq3 h TYR 81 N 0.85 -0.55 -0.84 0.00 3.20 -0.39 -1.70 116.97 117.54 2gq3 h TYR 81 Ca 0.21 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.28 2gq3 h TYR 81 Cb 0.13 0.18 -0.13 0.00 1.54 0.00 0.00 36.73 38.45 2gq3 h TYR 81 CO 0.00 -0.32 0.21 0.00 -1.64 0.00 0.00 178.16 176.41 2gq3 h ARG 82 N -0.65 0.21 0.04 1.82 3.08 -1.01 -1.09 114.38 116.78 2gq3 h ARG 82 Ca -0.06 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 2gq3 h ARG 82 Cb 0.49 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2gq3 h ARG 82 CO 0.10 0.14 -0.02 0.37 -1.07 0.00 0.00 179.97 179.49 2gq3 h GLN 83 N 0.22 -0.05 -0.84 0.04 4.15 -0.97 -1.38 115.11 116.28 2gq3 h GLN 83 Ca 0.51 0.00 0.08 0.00 0.77 0.00 0.00 58.65 60.01 2gq3 h GLN 83 Cb 1.00 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.63 2gq3 h GLN 83 CO -0.62 -0.00 0.50 0.35 -1.93 0.00 0.00 178.83 177.13 2gq3 h PHE 84 N -0.09 0.92 -0.01 3.99 3.57 -0.65 -0.01 116.94 124.67 2gq3 h PHE 84 Ca -0.01 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 2gq3 h PHE 84 Cb 0.07 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 2gq3 h PHE 84 CO -0.06 0.43 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.09 2gq3 h LEU 85 N 0.89 0.01 -0.28 0.59 3.38 -0.94 -2.16 115.31 116.79 2gq3 h LEU 85 Ca 0.38 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.21 2gq3 h LEU 85 Cb 0.26 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2gq3 h LEU 85 CO -0.21 0.29 -0.39 0.74 0.09 0.00 0.00 178.44 178.97 2gq3 h THR 86 N 0.01 1.30 -0.14 0.22 2.02 -0.10 -0.08 112.91 116.14 2gq3 h THR 86 Ca -0.00 -1.58 -0.13 0.00 0.77 0.00 0.00 66.41 65.47 2gq3 h THR 86 Cb 0.51 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 2gq3 h THR 86 CO 0.04 0.51 -0.48 -0.33 0.37 0.00 0.00 175.52 175.63 2gq3 h GLU 87 N 0.51 0.35 -0.01 6.66 5.08 -0.42 -2.55 114.58 124.20 2gq3 h GLU 87 Ca 0.03 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2gq3 h GLU 87 Cb 0.98 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2gq3 h GLU 87 CO 0.09 0.75 -0.04 0.44 -1.00 0.00 0.00 179.01 179.26 2gq3 n ILE 88 N -3.98 0.00 -0.76 3.13 -5.35 -0.98 -4.94 119.36 106.49 2gq3 n ILE 88 Ca -0.02 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 2gq3 n ILE 88 Cb 0.54 0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.64 2gq3 n ILE 88 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gq3 n GLY 89 N 1.16 0.58 0.07 3.28 0.00 -0.96 -4.97 105.19 104.36 2gq3 n GLY 89 Ca 0.19 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 2gq3 n GLY 89 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2gq3 h TYR 90 N 0.00 -0.02 -3.69 1.61 3.20 -1.29 -3.42 116.97 113.36 2gq3 h TYR 90 Ca 0.00 -0.00 -0.68 0.00 3.14 0.00 0.00 58.73 61.19 2gq3 h TYR 90 Cb 0.00 0.01 -0.20 0.00 1.54 0.00 0.00 36.73 38.08 2gq3 h TYR 90 CO 0.00 0.73 -0.49 -1.17 -1.64 0.00 0.00 178.16 175.59 2gq3 s LEU 91 N -8.61 4.50 0.34 2.82 2.96 -0.54 -4.93 118.68 115.23 2gq3 s LEU 91 Ca -0.17 -0.49 0.07 0.00 -0.22 0.00 0.00 54.13 53.32 2gq3 s LEU 91 Cb -0.01 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 2gq3 s LEU 91 CO 0.64 -0.25 0.32 -0.76 -1.32 0.00 0.00 176.35 174.97 2gq3 s LEU 92 N 1.70 3.64 0.54 -0.68 1.43 -1.26 -4.20 118.68 119.85 2gq3 s LEU 92 Ca 0.06 -0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 52.49 2gq3 s LEU 92 Cb -0.18 -2.28 -0.05 0.00 0.03 0.00 0.00 46.19 43.72 2gq3 s LEU 92 CO 0.10 -0.37 1.19 -2.16 0.23 0.00 0.00 176.35 175.33 2gq3 s PRO 93 N -4.02 3.29 0.08 1.29 0.04 -1.26 -4.94 135.00 129.47 2gq3 s PRO 93 Ca 0.41 1.78 -0.30 0.00 0.04 0.00 0.00 61.00 62.93 2gq3 s PRO 93 Cb -0.06 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 2gq3 s PRO 93 CO 0.27 -0.94 1.08 -1.83 0.04 0.00 0.00 177.00 175.62 2gq3 s GLU 94 N -3.13 4.54 0.95 4.56 -1.05 -1.26 -4.89 118.70 118.42 2gq3 s GLU 94 Ca 0.72 1.61 -0.12 0.00 -0.15 0.00 0.00 54.97 57.03 2gq3 s GLU 94 Cb -0.29 -3.37 0.16 0.00 -0.44 0.00 0.00 34.13 30.19 2gq3 s GLU 94 CO 0.33 -0.05 1.09 -1.25 0.95 0.00 0.00 175.26 176.32 2gq3 s PRO 95 N 0.58 0.80 0.61 -4.83 0.04 -1.26 -5.02 135.00 125.92 2gq3 s PRO 95 Ca 0.53 0.72 -0.19 0.00 0.04 0.00 0.00 61.00 62.10 2gq3 s PRO 95 Cb -0.26 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 2gq3 s PRO 95 CO 0.30 -2.53 1.30 -0.51 0.04 0.00 0.00 177.00 175.61 2gq3 s ASP 96 N -3.37 4.88 0.35 6.66 1.01 -1.26 -4.97 116.67 119.98 2gq3 s ASP 96 Ca 0.64 2.64 -0.25 0.00 0.71 0.00 0.00 52.55 56.29 2gq3 s ASP 96 Cb -0.19 -2.62 -0.14 0.00 1.01 0.00 0.00 42.92 40.99 2gq3 s ASP 96 CO 0.58 -1.82 0.70 0.47 0.21 0.00 0.00 175.17 175.31 2gq3 n ASP 97 N -1.59 -0.19 -3.48 0.27 10.43 -1.26 -5.02 116.55 115.71 2gq3 n ASP 97 Ca 0.14 1.03 -0.09 0.00 2.57 0.00 0.00 54.79 58.43 2gq3 n ASP 97 Cb 0.47 -1.15 -0.02 0.00 1.84 0.00 0.00 41.12 42.26 2gq3 n ASP 97 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 2gq3 s PHE 98 N -1.27 0.26 -0.03 1.24 -0.12 -1.26 -5.16 117.98 111.64 2gq3 s PHE 98 Ca 0.62 -0.73 0.05 0.00 -0.05 0.00 0.00 56.93 56.82 2gq3 s PHE 98 Cb -0.68 0.49 -0.01 0.00 -0.63 0.00 0.00 43.02 42.20 2gq3 s PHE 98 CO 0.58 -1.27 -0.16 0.99 -0.05 0.00 0.00 175.22 175.31 2gq3 s THR 99 N -3.26 1.31 0.68 -4.49 2.01 -1.26 -4.25 115.64 106.37 2gq3 s THR 99 Ca 0.19 -0.68 -0.15 0.00 0.31 0.00 0.00 61.69 61.35 2gq3 s THR 99 Cb -0.03 -1.11 0.01 0.00 0.01 0.00 0.00 72.50 71.38 2gq3 s THR 99 CO 0.11 0.38 1.16 0.27 -0.69 0.00 0.00 174.62 175.85 2gq3 s ILE 100 N -0.16 2.76 -0.18 1.82 -4.36 -0.91 -4.97 121.20 115.19 2gq3 s ILE 100 Ca 0.01 0.38 0.02 0.00 -0.26 0.00 0.00 60.65 60.80 2gq3 s ILE 100 Cb -0.09 -2.94 0.05 0.00 1.25 0.00 0.00 42.46 40.74 2gq3 s ILE 100 CO 0.01 -0.20 0.97 0.35 0.24 0.00 0.00 174.94 176.31 2gq3 n THR 101 N -2.44 0.84 -1.71 8.37 -2.24 0.69 -5.02 114.28 112.77 2gq3 n THR 101 Ca 0.12 -0.92 -0.43 0.00 -2.27 0.00 0.00 64.05 60.55 2gq3 n THR 101 Cb 0.51 0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 69.31 2gq3 n THR 101 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2gq3 n THR 102 N -0.25 1.34 -4.40 4.28 -1.04 -1.20 -4.92 114.28 108.09 2gq3 n THR 102 Ca 0.02 -0.33 -0.23 0.00 -2.04 0.00 0.00 64.05 61.47 2gq3 n THR 102 Cb 0.24 -1.71 -0.08 0.00 -1.82 0.00 0.00 70.33 66.96 2gq3 n THR 102 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2gq3 s SER 103 N 0.17 2.25 -1.34 8.00 1.04 -1.26 -4.85 113.70 117.71 2gq3 s SER 103 Ca 0.62 -1.75 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2gq3 s SER 103 Cb -0.56 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.13 2gq3 s SER 103 CO 0.54 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 174.34 2gq3 n GLY 104 N -0.78 0.26 3.79 7.32 0.00 -1.26 -5.02 105.19 109.51 2gq3 n GLY 104 Ca 0.01 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 2gq3 n GLY 104 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gq3 s VAL 105 N -2.68 5.19 0.77 1.61 1.01 -1.26 -4.23 120.40 120.81 2gq3 s VAL 105 Ca 0.00 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 2gq3 s VAL 105 Cb 0.00 -3.28 0.06 0.00 0.00 0.00 0.00 36.38 33.16 2gq3 s VAL 105 CO 0.00 0.57 1.13 -1.81 0.00 0.00 0.00 175.10 175.00 2gq3 s ASP 106 N -0.63 4.23 0.41 3.32 1.01 -1.26 -4.77 116.67 118.99 2gq3 s ASP 106 Ca 0.12 2.06 0.19 0.00 0.71 0.00 0.00 52.55 55.64 2gq3 s ASP 106 Cb -0.12 -2.55 0.88 0.00 1.01 0.00 0.00 42.92 42.14 2gq3 s ASP 106 CO 0.02 -2.22 1.84 0.00 0.21 0.00 0.00 175.17 175.02 2gq3 h ALA 107 N -0.83 1.16 -0.00 5.23 0.00 -1.98 -0.64 119.26 122.20 2gq3 h ALA 107 Ca -0.45 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2gq3 h ALA 107 Cb 1.26 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2gq3 h ALA 107 CO 0.49 0.39 0.04 0.93 0.00 0.00 0.00 179.25 181.10 2gq3 h GLU 108 N 0.00 0.00 0.00 0.00 3.07 -1.91 0.37 114.58 116.11 2gq3 h GLU 108 Ca -0.00 0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 58.54 2gq3 h GLU 108 Cb 0.70 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.56 2gq3 h GLU 108 CO 0.04 0.00 -2.09 -0.89 -1.40 0.00 0.00 179.01 174.67 2gq3 n ILE 109 N -3.11 1.08 0.07 3.13 5.41 -0.34 -4.21 119.36 121.39 2gq3 n ILE 109 Ca -0.03 -0.32 -0.07 0.00 1.00 0.00 0.00 62.75 63.33 2gq3 n ILE 109 Cb 0.11 -1.56 0.06 0.00 -0.71 0.00 0.00 39.64 37.54 2gq3 n ILE 109 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 2gq3 h THR 110 N -0.47 1.41 0.00 1.39 1.35 -1.04 -3.32 112.91 112.24 2gq3 h THR 110 Ca -0.47 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.20 2gq3 h THR 110 Cb 1.51 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 70.08 2gq3 h THR 110 CO -0.22 0.65 -0.90 0.41 -0.25 0.00 0.00 175.52 175.20 2gq3 n THR 111 N -3.81 0.00 -2.64 6.82 -1.04 -0.01 -2.63 114.28 110.97 2gq3 n THR 111 Ca -0.03 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.55 2gq3 n THR 111 Cb 0.69 -1.13 -0.02 0.00 -1.82 0.00 0.00 70.33 68.05 2gq3 n THR 111 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2gq3 s THR 112 N -1.97 4.68 -0.15 12.58 2.01 -0.43 -4.98 115.64 127.38 2gq3 s THR 112 Ca 0.00 1.97 -0.15 0.00 0.31 0.00 0.00 61.69 63.82 2gq3 s THR 112 Cb 0.00 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 2gq3 s THR 112 CO 0.00 -0.03 0.33 0.00 -0.69 0.00 0.00 174.62 174.23 2gq3 s ALA 113 N 2.26 3.58 0.00 7.40 0.00 -1.26 -4.66 121.76 129.07 2gq3 s ALA 113 Ca 0.49 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2gq3 s ALA 113 Cb -0.19 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.50 2gq3 s ALA 113 CO 0.17 0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.43 2gq3 n GLY 114 N 3.29 0.09 3.73 0.00 0.00 -0.35 -4.90 105.19 107.05 2gq3 n GLY 114 Ca -0.11 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 2gq3 n GLY 114 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2gq3 s PRO 115 N -2.00 2.45 -0.14 1.61 0.02 -1.24 -4.01 135.00 131.68 2gq3 s PRO 115 Ca 0.00 1.92 0.00 0.00 0.02 0.00 0.00 61.00 62.94 2gq3 s PRO 115 Cb 0.00 -1.85 0.03 0.00 0.02 0.00 0.00 34.50 32.70 2gq3 s PRO 115 CO 0.00 -1.64 -0.11 -1.14 -0.33 0.00 0.00 177.00 173.79 2gq3 s GLN 116 N -3.57 1.95 0.11 5.54 0.74 -0.70 -3.33 119.66 120.40 2gq3 s GLN 116 Ca 0.79 -0.49 -0.14 0.00 0.05 0.00 0.00 55.36 55.56 2gq3 s GLN 116 Cb -0.33 -1.97 -0.07 0.00 1.10 0.00 0.00 33.01 31.74 2gq3 s GLN 116 CO 0.41 -0.28 0.51 -1.17 -0.55 0.00 0.00 175.29 174.20 2gq3 s LEU 117 N 1.56 4.39 0.04 3.68 2.96 -1.06 -2.09 118.68 128.15 2gq3 s LEU 117 Ca 0.04 1.05 0.09 0.00 -0.22 0.00 0.00 54.13 55.09 2gq3 s LEU 117 Cb -0.13 -3.08 -0.03 0.00 0.50 0.00 0.00 46.19 43.45 2gq3 s LEU 117 CO -0.09 0.17 -0.26 -0.69 -1.32 0.00 0.00 176.35 174.16 2gq3 s VAL 118 N -1.35 2.17 -0.17 1.68 1.01 -1.22 0.82 120.40 123.33 2gq3 s VAL 118 Ca 0.34 -1.36 -0.21 0.00 0.00 0.00 0.00 61.98 60.75 2gq3 s VAL 118 Cb -0.16 -1.84 0.05 0.00 0.00 0.00 0.00 36.38 34.44 2gq3 s VAL 118 CO 0.18 0.38 0.56 0.54 0.00 0.00 0.00 175.10 176.77 2gq3 s VAL 119 N -0.80 0.01 -0.12 2.92 0.11 -0.43 -4.81 120.40 117.28 2gq3 s VAL 119 Ca 0.12 -0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 58.83 2gq3 s VAL 119 Cb -0.10 -0.81 -0.05 0.00 -1.53 0.00 0.00 36.38 33.90 2gq3 s VAL 119 CO 0.02 -0.02 1.73 -2.16 -3.33 0.00 0.00 175.10 171.34 2gq3 s PRO 120 N -0.04 3.94 0.66 1.54 0.04 -1.26 -0.17 135.00 139.70 2gq3 s PRO 120 Ca -0.03 2.03 0.43 0.00 0.04 0.00 0.00 61.00 63.48 2gq3 s PRO 120 Cb -0.04 -4.06 2.33 0.00 0.04 0.00 0.00 34.50 32.78 2gq3 s PRO 120 CO 0.02 -1.14 2.34 -0.24 0.04 0.00 0.00 177.00 178.03 2gq3 h VAL 121 N 5.93 0.04 0.00 -0.36 3.04 -1.68 -2.62 116.25 120.61 2gq3 h VAL 121 Ca -0.39 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 2gq3 h VAL 121 Cb 1.18 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 2gq3 h VAL 121 CO 0.97 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 177.71 2gq3 n LEU 122 N -3.14 0.59 -4.23 3.16 4.32 -1.26 -4.38 117.00 112.05 2gq3 n LEU 122 Ca -0.03 0.60 -0.42 0.00 -0.02 0.00 0.00 56.01 56.14 2gq3 n LEU 122 Cb 0.09 -0.48 -0.06 0.00 -1.62 0.00 0.00 43.42 41.35 2gq3 n LEU 122 CO 0.21 -0.36 0.14 0.21 -1.22 0.00 0.00 177.39 176.38 2gq3 s ASN 123 N -4.09 5.98 0.19 -1.43 3.84 -0.99 -4.94 114.94 113.50 2gq3 s ASN 123 Ca 0.07 -2.32 -0.11 0.00 0.21 0.00 0.00 52.86 50.72 2gq3 s ASN 123 Cb 0.11 -2.06 0.12 0.00 -0.55 0.00 0.00 41.25 38.86 2gq3 s ASN 123 CO 0.46 -0.62 1.81 0.00 -2.79 0.00 0.00 177.10 175.96 2gq3 h ALA 124 N 8.02 0.87 0.31 1.71 0.00 -1.84 0.97 119.26 129.31 2gq3 h ALA 124 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2gq3 h ALA 124 Cb 1.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2gq3 h ALA 124 CO 0.82 0.38 -0.33 -0.09 0.00 0.00 0.00 179.25 180.04 2gq3 h ARG 125 N 0.93 -0.66 -0.66 0.00 2.43 -1.92 0.32 114.38 114.82 2gq3 h ARG 125 Ca 0.24 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 2gq3 h ARG 125 Cb 0.04 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 2gq3 h ARG 125 CO -0.04 -0.44 0.32 0.74 -1.51 0.00 0.00 179.97 179.05 2gq3 h PHE 126 N -0.68 0.95 -0.43 2.20 0.05 -1.90 -2.27 116.94 114.86 2gq3 h PHE 126 Ca -0.02 -0.04 -0.01 0.00 3.82 0.00 0.00 57.97 61.72 2gq3 h PHE 126 Cb 0.63 -0.30 -0.02 0.00 2.00 0.00 0.00 35.95 38.26 2gq3 h PHE 126 CO -0.20 0.71 0.22 0.00 -0.18 0.00 0.00 178.31 178.86 2gq3 h ALA 127 N 1.15 0.56 -0.10 2.45 0.00 -0.17 0.16 119.26 123.31 2gq3 h ALA 127 Ca 0.23 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2gq3 h ALA 127 Cb 0.11 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 2gq3 h ALA 127 CO -0.03 0.10 -0.17 -0.07 0.00 0.00 0.00 179.25 179.08 2gq3 h LEU 128 N 0.56 -0.53 -0.93 0.00 3.38 -0.35 -1.57 115.31 115.88 2gq3 h LEU 128 Ca 0.15 0.09 0.16 0.00 0.09 0.00 0.00 57.88 58.37 2gq3 h LEU 128 Cb 0.09 0.24 -0.10 0.00 0.09 0.00 0.00 40.66 40.98 2gq3 h LEU 128 CO -0.02 -0.22 0.53 0.78 0.09 0.00 0.00 178.44 179.59 2gq3 h ASN 129 N -0.23 0.68 -0.28 -0.43 -0.26 -0.94 0.45 115.58 114.57 2gq3 h ASN 129 Ca 0.09 0.09 -0.08 0.00 -0.56 0.00 0.00 56.30 55.84 2gq3 h ASN 129 Cb 0.36 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.58 2gq3 h ASN 129 CO -0.23 0.27 -0.12 0.00 -1.06 0.00 0.00 177.43 176.29 2gq3 h ALA 130 N 1.59 0.39 -0.21 -0.83 0.00 -0.36 -2.10 119.26 117.74 2gq3 h ALA 130 Ca 0.51 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2gq3 h ALA 130 Cb 0.74 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2gq3 h ALA 130 CO -0.36 0.26 -0.07 0.00 0.00 0.00 0.00 179.25 179.08 2gq3 h ALA 131 N 0.75 1.49 0.00 0.00 0.00 -0.72 -1.57 119.26 119.22 2gq3 h ALA 131 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2gq3 h ALA 131 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2gq3 h ALA 131 CO 0.04 0.36 0.00 0.09 0.00 0.00 0.00 179.25 179.74 2gq3 n ASN 132 N -4.29 0.00 -0.25 0.00 3.02 0.10 -0.82 115.26 113.01 2gq3 n ASN 132 Ca 0.00 0.18 0.15 0.00 -0.03 0.00 0.00 54.58 54.88 2gq3 n ASN 132 Cb 0.25 -0.39 0.65 0.00 -0.61 0.00 0.00 39.78 39.68 2gq3 n ASN 132 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gq3 n ALA 133 N -1.39 2.68 0.12 5.41 0.00 -0.59 -3.14 120.51 123.60 2gq3 n ALA 133 Ca 0.10 -0.34 0.20 0.00 0.00 0.00 0.00 53.44 53.40 2gq3 n ALA 133 Cb 0.25 -1.30 0.73 0.00 0.00 0.00 0.00 19.45 19.14 2gq3 n ALA 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2gq3 h ARG 134 N 1.25 0.00 -3.92 0.00 2.43 -1.66 -2.82 114.38 109.65 2gq3 h ARG 134 Ca 0.00 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.65 2gq3 h ARG 134 Cb 0.33 0.00 -0.38 0.00 -0.42 0.00 0.00 29.97 29.50 2gq3 h ARG 134 CO 0.00 0.00 -0.78 -1.58 -1.51 0.00 0.00 179.97 176.10 2gq3 s TRP 135 N -4.52 1.32 0.02 2.20 0.52 -1.19 -0.25 118.94 117.04 2gq3 s TRP 135 Ca -0.04 -0.83 0.01 0.00 0.02 0.00 0.00 56.10 55.26 2gq3 s TRP 135 Cb 0.14 -1.14 -0.02 0.00 -1.15 0.00 0.00 33.47 31.31 2gq3 s TRP 135 CO 0.49 -0.55 -0.05 0.20 0.02 0.00 0.00 176.95 177.07 2gq3 s GLY 136 N 1.76 0.30 -0.12 0.98 0.00 -0.05 -4.96 107.32 105.23 2gq3 s GLY 136 Ca 0.01 -0.51 -0.29 0.00 0.00 0.00 0.00 44.72 43.93 2gq3 s GLY 136 CO -0.07 -0.54 1.57 -0.45 0.00 0.00 0.00 173.10 173.61 2gq3 s SER 137 N -1.08 6.65 0.17 1.64 0.15 -1.26 0.40 113.70 120.36 2gq3 s SER 137 Ca -0.09 1.99 -0.09 0.00 0.70 0.00 0.00 55.95 58.46 2gq3 s SER 137 Cb -0.07 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.73 2gq3 s SER 137 CO -0.00 -0.98 1.54 0.25 1.20 0.00 0.00 173.24 175.26 2gq3 h LEU 138 N 10.50 0.97 -0.15 3.45 5.85 -1.16 -2.44 115.31 132.33 2gq3 h LEU 138 Ca -0.35 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.02 2gq3 h LEU 138 Cb 1.16 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 2gq3 h LEU 138 CO 0.97 1.17 -0.18 1.88 -0.34 0.00 0.00 178.44 181.94 2gq3 h TYR 139 N 0.80 -0.46 -0.95 1.25 -1.99 -1.92 0.28 116.97 113.97 2gq3 h TYR 139 Ca 0.09 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.86 2gq3 h TYR 139 Cb 0.84 0.23 -0.05 0.00 2.00 0.00 0.00 36.73 39.75 2gq3 h TYR 139 CO 0.05 -0.25 0.63 -0.44 -0.00 0.00 0.00 178.16 178.15 2gq3 h ASP 140 N -0.22 1.08 -0.51 3.88 3.32 -1.92 0.37 116.42 122.42 2gq3 h ASP 140 Ca 0.10 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 2gq3 h ASP 140 Cb 0.37 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2gq3 h ASP 140 CO -0.28 0.77 -0.09 0.00 -1.72 0.00 0.00 179.24 177.92 2gq3 h ALA 141 N 1.42 0.83 0.09 3.45 0.00 -0.80 0.14 119.26 124.38 2gq3 h ALA 141 Ca 0.35 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 2gq3 h ALA 141 Cb -0.12 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.50 2gq3 h ALA 141 CO -0.08 0.66 -0.80 -0.07 0.00 0.00 0.00 179.25 178.95 2gq3 h LEU 142 N 0.88 0.56 -0.36 0.00 3.38 -0.13 -3.18 115.31 116.47 2gq3 h LEU 142 Ca 0.14 -0.86 -0.12 0.00 0.09 0.00 0.00 57.88 57.14 2gq3 h LEU 142 Cb 0.64 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2gq3 h LEU 142 CO 0.04 1.36 -0.24 0.22 0.09 0.00 0.00 178.44 179.92 2gq3 h TYR 143 N -0.17 0.92 0.00 1.13 3.20 -0.22 -3.17 116.97 118.66 2gq3 h TYR 143 Ca -0.12 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.50 2gq3 h TYR 143 Cb 1.56 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.63 2gq3 h TYR 143 CO 0.16 1.01 0.00 0.41 -1.64 0.00 0.00 178.16 178.10 2gq3 n GLY 144 N 0.03 -1.28 3.63 1.82 0.00 0.49 -4.90 105.19 104.98 2gq3 n GLY 144 Ca -0.02 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 2gq3 n GLY 144 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gq3 n THR 145 N -1.30 0.00 1.85 2.61 -2.24 -1.20 -5.03 114.28 108.97 2gq3 n THR 145 Ca 0.13 -2.45 0.09 0.00 -2.27 0.00 0.00 64.05 59.55 2gq3 n THR 145 Cb 0.24 0.62 0.47 0.00 -2.10 0.00 0.00 70.33 69.56 2gq3 n THR 145 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2gq3 n ASP 146 N -1.38 0.32 -0.34 3.42 5.75 -1.26 -3.78 116.55 119.28 2gq3 n ASP 146 Ca -0.16 -1.53 0.18 0.00 -0.01 0.00 0.00 54.79 53.27 2gq3 n ASP 146 Cb 0.65 -0.02 0.41 0.00 -1.03 0.00 0.00 41.12 41.12 2gq3 n ASP 146 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 2gq3 h VAL 147 N 0.41 0.57 -3.60 2.12 2.07 -1.86 -3.33 116.25 112.64 2gq3 h VAL 147 Ca 0.00 -0.19 -0.71 0.00 0.82 0.00 0.00 66.70 66.62 2gq3 h VAL 147 Cb 0.09 -0.05 -0.26 0.00 -1.52 0.00 0.00 31.29 29.55 2gq3 h VAL 147 CO 0.00 0.10 -0.54 -0.63 0.02 0.00 0.00 177.57 176.53 2gq3 s ILE 148 N -5.71 4.28 0.77 4.57 -1.09 -1.25 -4.91 121.20 117.86 2gq3 s ILE 148 Ca -0.10 -1.02 -0.14 0.00 -2.23 0.00 0.00 60.65 57.15 2gq3 s ILE 148 Cb 0.26 -3.43 0.06 0.00 -1.58 0.00 0.00 42.46 37.77 2gq3 s ILE 148 CO 0.80 -0.26 1.22 -2.16 -1.23 0.00 0.00 174.94 173.31 2gq3 s PRO 149 N 1.49 1.83 -0.51 2.79 0.04 -1.25 -4.86 135.00 134.52 2gq3 s PRO 149 Ca 0.01 1.80 -0.02 0.00 0.04 0.00 0.00 61.00 62.82 2gq3 s PRO 149 Cb -0.20 -1.79 0.22 0.00 0.04 0.00 0.00 34.50 32.77 2gq3 s PRO 149 CO 0.05 -2.08 2.31 0.39 0.04 0.00 0.00 177.00 177.71 2gq3 n GLU 150 N -3.03 2.33 -4.23 4.56 1.02 -1.26 -4.71 120.64 115.31 2gq3 n GLU 150 Ca 0.14 -2.45 -0.29 0.00 -0.02 0.00 0.00 57.16 54.53 2gq3 n GLU 150 Cb 0.50 -2.03 -0.10 0.00 -0.02 0.00 0.00 31.44 29.79 2gq3 n GLU 150 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2gq3 s THR 151 N -3.13 3.36 -1.15 2.62 2.01 -1.26 -4.16 115.64 113.92 2gq3 s THR 151 Ca 0.51 -1.31 -0.14 0.00 0.31 0.00 0.00 61.69 61.05 2gq3 s THR 151 Cb 0.37 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 2gq3 s THR 151 CO -0.15 0.08 0.80 0.47 -0.69 0.00 0.00 174.62 175.13 2gq3 n ASP 152 N 0.62 -4.92 -1.88 3.53 10.43 -1.26 -2.32 116.55 120.75 2gq3 n ASP 152 Ca -0.13 -0.92 -0.20 0.00 2.57 0.00 0.00 54.79 56.11 2gq3 n ASP 152 Cb 0.53 -3.87 -0.06 0.00 1.84 0.00 0.00 41.12 39.56 2gq3 n ASP 152 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2gq3 n GLY 153 N -1.58 0.99 2.24 0.44 0.00 -1.26 -4.88 105.19 101.14 2gq3 n GLY 153 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 2gq3 n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gq3 n ALA 154 N 0.01 5.89 -1.98 4.61 0.00 -0.98 -4.45 120.51 123.61 2gq3 n ALA 154 Ca -0.21 -3.17 -0.37 0.00 0.00 0.00 0.00 53.44 49.68 2gq3 n ALA 154 Cb 0.66 -1.56 -0.06 0.00 0.00 0.00 0.00 19.45 18.49 2gq3 n ALA 154 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2gq3 s GLU 155 N -3.53 4.45 0.58 0.00 1.03 -1.26 -4.34 118.70 115.62 2gq3 s GLU 155 Ca 0.60 1.08 -0.19 0.00 0.03 0.00 0.00 54.97 56.50 2gq3 s GLU 155 Cb 0.49 -2.99 -0.04 0.00 -0.80 0.00 0.00 34.13 30.78 2gq3 s GLU 155 CO 0.05 0.43 1.18 0.15 -1.33 0.00 0.00 175.26 175.74 2gq3 s LYS 156 N -1.71 3.09 0.00 -4.83 1.02 -1.26 -4.85 119.74 111.20 2gq3 s LYS 156 Ca 0.42 1.74 0.00 0.00 0.02 0.00 0.00 55.97 58.15 2gq3 s LYS 156 Cb -0.19 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 2gq3 s LYS 156 CO 0.24 -1.09 0.00 0.41 -0.92 0.00 0.00 175.35 173.99 2gq3 n GLY 157 N 0.35 3.76 0.34 -3.33 0.00 -1.26 -5.02 105.19 100.02 2gq3 n GLY 157 Ca 0.13 -1.24 0.01 0.00 0.00 0.00 0.00 46.02 44.92 2gq3 n GLY 157 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gq3 h PRO 158 N 0.00 0.86 -6.44 1.61 0.13 -2.07 -3.44 132.00 122.65 2gq3 h PRO 158 Ca 0.00 -0.06 -0.62 0.00 -0.87 0.00 0.00 66.00 64.45 2gq3 h PRO 158 Cb 0.00 -0.19 -0.14 0.00 0.13 0.00 0.00 31.00 30.80 2gq3 h PRO 158 CO 0.00 0.58 -0.73 0.95 -0.23 0.00 0.00 178.00 178.57 2gq3 s THR 159 N -5.72 3.06 -0.12 1.56 -4.23 -1.26 -5.07 115.64 103.87 2gq3 s THR 159 Ca -0.10 -1.75 -0.40 0.00 -1.18 0.00 0.00 61.69 58.26 2gq3 s THR 159 Cb 0.18 -2.52 -0.18 0.00 1.34 0.00 0.00 72.50 71.32 2gq3 s THR 159 CO 0.77 -0.14 1.44 0.00 -0.54 0.00 0.00 174.62 176.15 2gq3 n TYR 160 N -0.01 1.52 -3.60 3.99 9.36 -1.26 -4.94 117.16 122.22 2gq3 n TYR 160 Ca -0.11 0.77 -0.40 0.00 3.32 0.00 0.00 57.90 61.48 2gq3 n TYR 160 Cb 0.56 -2.30 -0.11 0.00 -0.63 0.00 0.00 39.34 36.86 2gq3 n TYR 160 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2gq3 s ASN 161 N 1.61 5.69 0.47 2.98 3.84 -1.26 -4.98 114.94 123.28 2gq3 s ASN 161 Ca 0.93 -1.14 0.12 0.00 0.21 0.00 0.00 52.86 52.98 2gq3 s ASN 161 Cb -1.13 -2.01 1.08 0.00 -0.55 0.00 0.00 41.25 38.64 2gq3 s ASN 161 CO 0.59 -0.43 2.11 0.50 -2.79 0.00 0.00 177.10 177.08 2gq3 h LYS 162 N 8.42 0.25 -0.68 0.43 3.64 -1.95 0.17 116.57 126.86 2gq3 h LYS 162 Ca -0.25 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.10 2gq3 h LYS 162 Cb 1.10 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 2gq3 h LYS 162 CO 0.69 0.17 0.37 0.28 -2.27 0.00 0.00 179.45 178.69 2gq3 h VAL 163 N 0.26 1.21 -0.03 2.00 2.07 -1.94 0.32 116.25 120.15 2gq3 h VAL 163 Ca 0.07 -0.53 -0.21 0.00 0.82 0.00 0.00 66.70 66.84 2gq3 h VAL 163 Cb -0.02 0.33 0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2gq3 h VAL 163 CO -0.02 0.23 -0.82 -0.09 0.02 0.00 0.00 177.57 176.90 2gq3 h ARG 164 N 0.93 0.60 -0.19 1.57 2.43 -1.22 -2.90 114.38 115.60 2gq3 h ARG 164 Ca 0.24 -0.61 -0.08 0.00 -0.81 0.00 0.00 59.98 58.71 2gq3 h ARG 164 Cb 0.04 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2gq3 h ARG 164 CO -0.04 1.22 -0.25 0.78 -1.51 0.00 0.00 179.97 180.17 2gq3 h GLY 165 N 0.23 0.38 1.27 2.80 0.00 -0.59 -1.31 103.07 105.85 2gq3 h GLY 165 Ca -0.09 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 2gq3 h GLY 165 CO 0.16 0.28 0.18 -0.55 0.00 0.00 0.00 176.54 176.61 2gq3 h ASP 166 N 0.32 0.85 -0.66 0.19 3.32 -0.38 -1.35 116.42 118.71 2gq3 h ASP 166 Ca 0.05 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 2gq3 h ASP 166 Cb 0.62 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 2gq3 h ASP 166 CO 0.04 0.80 0.30 0.11 -1.72 0.00 0.00 179.24 178.77 2gq3 h LYS 167 N 0.89 0.99 -0.15 3.56 1.57 -1.06 -1.97 116.57 120.40 2gq3 h LYS 167 Ca 0.20 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2gq3 h LYS 167 Cb 0.26 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2gq3 h LYS 167 CO -0.01 0.79 0.06 0.28 -0.57 0.00 0.00 179.45 180.00 2gq3 h VAL 168 N 0.97 1.15 -0.30 0.50 2.07 -0.97 -1.09 116.25 118.58 2gq3 h VAL 168 Ca 0.23 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.36 2gq3 h VAL 168 Cb 0.15 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2gq3 h VAL 168 CO -0.02 0.14 0.07 0.40 0.02 0.00 0.00 177.57 178.18 2gq3 h ILE 169 N 0.10 0.88 -0.85 4.57 2.04 -1.18 0.17 117.51 123.23 2gq3 h ILE 169 Ca 0.05 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2gq3 h ILE 169 Cb 0.16 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 2gq3 h ILE 169 CO -0.00 0.03 0.50 0.00 0.00 0.00 0.00 178.15 178.68 2gq3 h ALA 170 N 1.21 1.08 -0.53 1.87 0.00 -1.25 0.20 119.26 121.85 2gq3 h ALA 170 Ca 0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2gq3 h ALA 170 Cb 0.14 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2gq3 h ALA 170 CO -0.17 0.56 0.17 -0.92 0.00 0.00 0.00 179.25 178.89 2gq3 h TYR 171 N 1.17 0.85 -0.50 0.00 3.20 -0.31 -1.65 116.97 119.74 2gq3 h TYR 171 Ca 0.30 -0.08 -0.08 0.00 3.14 0.00 0.00 58.73 62.00 2gq3 h TYR 171 Cb -0.02 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 2gq3 h TYR 171 CO 0.00 0.73 -0.02 0.00 -1.64 0.00 0.00 178.16 177.22 2gq3 h ALA 172 N 1.03 0.67 -0.78 1.82 0.00 -0.56 -2.17 119.26 119.27 2gq3 h ALA 172 Ca 0.17 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.87 2gq3 h ALA 172 Cb 0.27 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 2gq3 h ALA 172 CO -0.01 0.50 0.45 0.00 0.00 0.00 0.00 179.25 180.19 2gq3 h ARG 173 N 0.75 0.75 -0.35 0.00 2.47 -0.36 -0.69 114.38 116.95 2gq3 h ARG 173 Ca 0.14 -0.05 -0.13 0.00 -1.26 0.00 0.00 59.98 58.69 2gq3 h ARG 173 Cb 0.55 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 2gq3 h ARG 173 CO 0.03 0.50 -0.30 -0.22 0.56 0.00 0.00 179.97 180.54 2gq3 h LYS 174 N 0.77 0.74 -0.48 0.04 3.64 -1.21 -2.11 116.57 117.97 2gq3 h LYS 174 Ca 0.37 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2gq3 h LYS 174 Cb 0.30 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2gq3 h LYS 174 CO -0.23 0.94 0.31 0.35 -2.27 0.00 0.00 179.45 178.56 2gq3 h PHE 175 N 0.63 0.61 -0.79 1.91 3.57 -0.85 -1.45 116.94 120.56 2gq3 h PHE 175 Ca 0.07 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.59 2gq3 h PHE 175 Cb 0.82 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 2gq3 h PHE 175 CO 0.04 0.39 0.52 -0.07 -2.23 0.00 0.00 178.31 176.96 2gq3 h LEU 176 N 0.64 0.91 -1.53 0.59 3.38 -0.95 -0.88 115.31 117.48 2gq3 h LEU 176 Ca 0.17 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.14 2gq3 h LEU 176 Cb -0.06 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2gq3 h LEU 176 CO -0.04 0.66 0.34 0.44 0.09 0.00 0.00 178.44 179.94 2gq3 h ASP 177 N 1.07 0.54 0.61 -0.43 3.32 -0.96 0.30 116.42 120.87 2gq3 h ASP 177 Ca 0.29 -0.01 -0.28 0.00 0.02 0.00 0.00 57.03 57.05 2gq3 h ASP 177 Cb -0.12 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 2gq3 h ASP 177 CO -0.06 0.38 -1.45 0.44 -1.72 0.00 0.00 179.24 176.83 2gq3 h ASP 178 N 0.63 0.17 0.10 6.45 3.32 -0.61 -3.26 116.42 123.22 2gq3 h ASP 178 Ca 0.20 -0.25 -0.36 0.00 0.02 0.00 0.00 57.03 56.64 2gq3 h ASP 178 Cb 0.03 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2gq3 h ASP 178 CO -0.05 1.21 -1.98 -1.20 -1.72 0.00 0.00 179.24 175.50 2gq3 n SER 179 N -3.31 2.09 -3.22 6.45 7.64 -0.40 -4.72 113.62 118.15 2gq3 n SER 179 Ca -0.12 0.20 -0.24 0.00 1.01 0.00 0.00 58.87 59.72 2gq3 n SER 179 Cb 1.02 -0.84 -0.06 0.00 -1.01 0.00 0.00 64.21 63.31 2gq3 n SER 179 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2gq3 n VAL 180 N -3.56 0.15 -1.77 0.44 0.31 0.09 -4.90 118.33 109.08 2gq3 n VAL 180 Ca -0.33 -4.41 -0.41 0.00 -0.01 0.00 0.00 64.34 59.18 2gq3 n VAL 180 Cb 1.01 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 2gq3 n VAL 180 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2gq3 n PRO 181 N 1.05 2.61 -1.69 5.55 -0.04 -1.23 -4.71 135.00 136.54 2gq3 n PRO 181 Ca 0.24 0.92 -0.33 0.00 -0.04 0.00 0.00 63.50 64.29 2gq3 n PRO 181 Cb 0.52 -2.66 0.05 0.00 -0.04 0.00 0.00 33.50 31.38 2gq3 n PRO 181 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2gq3 s LEU 182 N -2.13 3.34 0.23 1.53 1.43 -1.26 0.22 118.68 122.04 2gq3 s LEU 182 Ca 0.54 1.98 -0.06 0.00 -1.03 0.00 0.00 54.13 55.57 2gq3 s LEU 182 Cb -0.47 -4.55 0.37 0.00 0.03 0.00 0.00 46.19 41.56 2gq3 s LEU 182 CO 0.63 -1.69 1.79 0.28 0.23 0.00 0.00 176.35 177.59 2gq3 h SER 183 N -0.12 0.55 -3.80 2.29 0.02 -1.28 -3.36 113.55 107.85 2gq3 h SER 183 Ca -0.46 0.06 -0.29 0.00 -0.84 0.00 0.00 61.79 60.26 2gq3 h SER 183 Cb 1.25 -0.04 -0.29 0.00 0.14 0.00 0.00 62.40 63.46 2gq3 h SER 183 CO 0.54 0.31 -0.74 -0.55 -1.14 0.00 0.00 176.83 175.25 2gq3 s SER 184 N -5.54 0.34 0.07 3.07 0.15 -1.26 -4.89 113.70 105.63 2gq3 s SER 184 Ca -0.12 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.48 2gq3 s SER 184 Cb 0.19 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2gq3 s SER 184 CO 0.77 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.84 2gq3 n GLY 185 N 3.11 -2.11 3.35 9.45 0.00 -1.26 -4.88 105.19 112.84 2gq3 n GLY 185 Ca -0.14 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.15 2gq3 n GLY 185 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gq3 s SER 186 N -3.27 3.11 0.54 1.61 0.15 -1.26 -4.45 113.70 110.14 2gq3 s SER 186 Ca 0.00 -0.66 0.28 0.00 0.70 0.00 0.00 55.95 56.27 2gq3 s SER 186 Cb 0.00 -0.24 1.55 0.00 -1.71 0.00 0.00 66.02 65.62 2gq3 s SER 186 CO 0.00 0.20 2.12 -0.26 1.20 0.00 0.00 173.24 176.50 2gq3 h PHE 187 N 4.36 0.00 -0.22 3.44 -1.00 -1.94 -2.13 116.94 119.45 2gq3 h PHE 187 Ca -0.48 0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.37 2gq3 h PHE 187 Cb 1.16 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.71 2gq3 h PHE 187 CO 0.54 0.09 0.17 0.78 -1.61 0.00 0.00 178.31 178.28 2gq3 h GLY 188 N 0.61 0.00 -2.40 -1.45 0.00 -1.96 -2.19 103.07 95.69 2gq3 h GLY 188 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2gq3 h GLY 188 CO 0.01 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.77 2gq3 n ASP 189 N -4.40 3.74 -4.77 0.19 8.00 -0.80 -4.98 116.55 113.54 2gq3 n ASP 189 Ca 0.02 -2.00 -0.40 0.00 0.71 0.00 0.00 54.79 53.13 2gq3 n ASP 189 Cb 0.31 -0.44 -0.00 0.00 -0.02 0.00 0.00 41.12 40.97 2gq3 n ASP 189 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gq3 s ALA 190 N -1.00 3.29 -0.52 2.24 0.00 -0.82 -4.29 121.76 120.65 2gq3 s ALA 190 Ca 0.44 1.26 0.08 0.00 0.00 0.00 0.00 51.96 53.73 2gq3 s ALA 190 Cb 0.23 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.80 2gq3 s ALA 190 CO 0.30 -0.84 0.42 0.25 0.00 0.00 0.00 175.76 175.89 2gq3 n THR 191 N 0.17 0.00 0.00 0.00 -2.24 0.14 -3.64 114.28 108.70 2gq3 n THR 191 Ca 0.03 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2gq3 n THR 191 Cb 0.43 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 2gq3 n THR 191 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gq3 n GLY 192 N 1.03 1.44 2.93 3.38 0.00 -1.25 -4.43 105.19 108.29 2gq3 n GLY 192 Ca 0.02 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 2gq3 n GLY 192 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gq3 s PHE 193 N -2.00 0.28 0.17 1.61 0.40 -1.26 -1.37 117.98 115.81 2gq3 s PHE 193 Ca 0.00 -0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.22 2gq3 s PHE 193 Cb 0.00 -0.18 -0.04 0.00 0.51 0.00 0.00 43.02 43.31 2gq3 s PHE 193 CO 0.00 -0.02 0.05 0.95 0.70 0.00 0.00 175.22 176.90 2gq3 s THR 194 N -0.26 0.38 -0.24 0.64 -4.23 0.04 -4.44 115.64 107.53 2gq3 s THR 194 Ca -0.01 -1.96 -0.05 0.00 -1.18 0.00 0.00 61.69 58.49 2gq3 s THR 194 Cb -0.02 -2.21 -0.01 0.00 1.34 0.00 0.00 72.50 71.60 2gq3 s THR 194 CO -0.00 -0.35 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.03 2gq3 s VAL 195 N -3.87 3.61 -0.03 2.29 1.01 0.42 -0.56 120.40 123.28 2gq3 s VAL 195 Ca 0.28 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.78 2gq3 s VAL 195 Cb 0.07 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.76 2gq3 s VAL 195 CO 0.05 0.34 -0.07 -1.10 0.00 0.00 0.00 175.10 174.33 2gq3 s GLN 196 N 1.50 0.85 -1.37 2.72 -0.21 0.79 -4.59 119.66 119.35 2gq3 s GLN 196 Ca 0.05 -0.21 -0.14 0.00 0.02 0.00 0.00 55.36 55.09 2gq3 s GLN 196 Cb -0.15 -0.82 0.12 0.00 1.00 0.00 0.00 33.01 33.16 2gq3 s GLN 196 CO -0.01 0.03 0.54 -0.25 -2.12 0.00 0.00 175.29 173.48 2gq3 n ASP 197 N 3.57 -3.01 -0.24 5.90 10.43 -1.26 -0.80 116.55 131.15 2gq3 n ASP 197 Ca -0.21 -0.62 -0.03 0.00 2.57 0.00 0.00 54.79 56.50 2gq3 n ASP 197 Cb 0.53 -2.51 -0.01 0.00 1.84 0.00 0.00 41.12 40.97 2gq3 n ASP 197 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2gq3 n GLY 198 N -1.14 0.55 3.65 0.44 0.00 -1.26 -5.02 105.19 102.42 2gq3 n GLY 198 Ca 0.04 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 2gq3 n GLY 198 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gq3 s GLN 199 N -1.51 2.48 -0.05 1.61 1.11 0.02 -4.57 119.66 118.74 2gq3 s GLN 199 Ca 0.00 -0.84 -0.30 0.00 0.01 0.00 0.00 55.36 54.23 2gq3 s GLN 199 Cb 0.00 -2.50 -0.04 0.00 -1.01 0.00 0.00 33.01 29.46 2gq3 s GLN 199 CO 0.00 0.55 1.30 -1.17 0.01 0.00 0.00 175.29 175.98 2gq3 s LEU 200 N -2.09 4.28 -0.20 2.90 2.96 -1.26 -0.15 118.68 125.12 2gq3 s LEU 200 Ca 0.23 1.92 -0.02 0.00 -0.22 0.00 0.00 54.13 56.04 2gq3 s LEU 200 Cb -0.11 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.02 2gq3 s LEU 200 CO 0.15 -0.67 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.73 2gq3 s VAL 201 N 2.50 2.97 -0.27 1.68 1.01 0.28 -4.26 120.40 124.31 2gq3 s VAL 201 Ca 0.59 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 2gq3 s VAL 201 Cb -0.27 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 2gq3 s VAL 201 CO 0.23 0.46 0.11 -0.69 0.00 0.00 0.00 175.10 175.21 2gq3 s VAL 202 N 1.37 4.54 -0.09 2.92 1.01 0.35 -0.78 120.40 129.72 2gq3 s VAL 202 Ca 0.05 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 2gq3 s VAL 202 Cb -0.14 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 2gq3 s VAL 202 CO -0.06 0.26 1.19 0.00 0.00 0.00 0.00 175.10 176.49 2gq3 s ALA 203 N 1.64 3.53 0.47 5.51 0.00 -0.47 -0.84 121.76 131.60 2gq3 s ALA 203 Ca 0.06 0.54 0.07 0.00 0.00 0.00 0.00 51.96 52.63 2gq3 s ALA 203 Cb -0.16 -3.53 -0.00 0.00 0.00 0.00 0.00 23.12 19.43 2gq3 s ALA 203 CO 0.05 -0.85 0.36 -0.51 0.00 0.00 0.00 175.76 174.81 2gq3 s LEU 204 N 2.53 3.05 0.38 0.00 1.43 0.05 0.24 118.68 126.36 2gq3 s LEU 204 Ca 0.54 -1.02 0.25 0.00 -1.03 0.00 0.00 54.13 52.87 2gq3 s LEU 204 Cb -0.23 -1.57 1.36 0.00 0.03 0.00 0.00 46.19 45.78 2gq3 s LEU 204 CO 0.19 -0.83 1.76 -0.65 0.23 0.00 0.00 176.35 177.05 2gq3 h PRO 205 N 0.97 0.00 0.01 1.29 0.11 -1.97 -3.39 132.00 129.02 2gq3 h PRO 205 Ca -0.39 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.32 2gq3 h PRO 205 Cb 1.28 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.33 2gq3 h PRO 205 CO 0.59 0.00 -2.24 -0.25 -0.21 0.00 0.00 178.00 175.89 2gq3 n ASP 206 N -2.38 1.96 0.00 -2.05 8.00 -1.26 -5.07 116.55 115.75 2gq3 n ASP 206 Ca -0.02 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.72 2gq3 n ASP 206 Cb 0.05 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 2gq3 n ASP 206 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2gq3 n LYS 207 N -4.00 0.00 -4.38 -1.24 5.02 -1.26 -5.20 118.16 107.11 2gq3 n LYS 207 Ca -0.47 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.54 2gq3 n LYS 207 Cb 0.89 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.77 2gq3 n LYS 207 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2gq3 s SER 208 N 0.00 3.49 0.02 4.39 0.01 -1.26 -0.77 113.70 119.58 2gq3 s SER 208 Ca 0.00 -0.74 0.01 0.00 1.31 0.00 0.00 55.95 56.53 2gq3 s SER 208 Cb 0.00 -0.31 -0.01 0.00 0.21 0.00 0.00 66.02 65.91 2gq3 s SER 208 CO 0.00 0.16 -0.05 0.28 0.41 0.00 0.00 173.24 174.04 2gq3 s THR 209 N -1.26 0.33 0.08 1.44 -1.32 -0.02 -4.93 115.64 109.96 2gq3 s THR 209 Ca 0.17 -0.66 -0.01 0.00 -1.21 0.00 0.00 61.69 59.98 2gq3 s THR 209 Cb -0.09 -0.37 0.02 0.00 -1.51 0.00 0.00 72.50 70.54 2gq3 s THR 209 CO 0.08 -0.23 0.11 0.61 -2.21 0.00 0.00 174.62 172.98 2gq3 n GLY 210 N 2.11 0.12 3.83 6.08 0.00 -1.26 0.13 105.19 116.20 2gq3 n GLY 210 Ca -0.19 -1.87 -0.36 0.00 0.00 0.00 0.00 46.02 43.60 2gq3 n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gq3 s LEU 211 N 0.00 4.38 0.22 0.99 1.02 -1.26 -1.05 118.68 122.98 2gq3 s LEU 211 Ca 0.07 1.22 -0.08 0.00 0.02 0.00 0.00 54.13 55.35 2gq3 s LEU 211 Cb -0.00 -3.28 0.27 0.00 0.02 0.00 0.00 46.19 43.20 2gq3 s LEU 211 CO 0.05 0.12 1.80 0.00 0.02 0.00 0.00 176.35 178.34 2gq3 h ALA 212 N 3.73 0.93 -2.87 4.21 0.00 -0.38 -3.26 119.26 121.63 2gq3 h ALA 212 Ca -0.49 0.02 -0.72 0.00 0.00 0.00 0.00 54.91 53.73 2gq3 h ALA 212 Cb 1.20 -0.11 -0.31 0.00 0.00 0.00 0.00 17.79 18.56 2gq3 h ALA 212 CO 0.65 0.04 -0.34 1.21 0.00 0.00 0.00 179.25 180.81 2gq3 s ASN 213 N -5.58 5.66 0.65 0.00 2.47 -1.26 -4.90 114.94 111.98 2gq3 s ASN 213 Ca -0.13 -2.29 0.33 0.00 0.42 0.00 0.00 52.86 51.20 2gq3 s ASN 213 Cb 0.17 -1.97 1.83 0.00 -1.45 0.00 0.00 41.25 39.83 2gq3 s ASN 213 CO 0.76 -0.57 2.06 1.55 -3.72 0.00 0.00 177.10 177.18 2gq3 h PRO 214 N 7.93 0.00 0.00 0.43 0.13 -1.96 -0.70 132.00 137.83 2gq3 h PRO 214 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2gq3 h PRO 214 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2gq3 h PRO 214 CO 0.79 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.97 2gq3 n GLY 215 N -1.23 -0.58 0.20 1.56 0.00 -1.26 -1.69 105.19 102.18 2gq3 n GLY 215 Ca -0.01 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.13 2gq3 n GLY 215 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2gq3 n GLN 216 N -1.42 0.91 -2.95 1.61 6.02 -0.27 -4.71 117.38 116.56 2gq3 n GLN 216 Ca 0.01 -0.40 -0.42 0.00 -0.01 0.00 0.00 57.00 56.18 2gq3 n GLN 216 Cb 0.05 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.76 2gq3 n GLN 216 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2gq3 s PHE 217 N -2.37 3.13 -0.11 1.08 5.36 -0.68 -0.89 117.98 123.49 2gq3 s PHE 217 Ca 0.31 0.59 0.19 0.00 -0.96 0.00 0.00 56.93 57.06 2gq3 s PHE 217 Cb 0.20 -3.37 -0.28 0.00 -0.34 0.00 0.00 43.02 39.23 2gq3 s PHE 217 CO 0.46 -0.71 0.27 0.00 -1.46 0.00 0.00 175.22 173.77 2gq3 n ALA 218 N 6.39 2.16 0.00 11.12 0.00 0.07 -4.83 120.51 135.41 2gq3 n ALA 218 Ca 0.03 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.59 2gq3 n ALA 218 Cb 0.48 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.49 2gq3 n ALA 218 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gq3 n GLY 219 N 1.56 -1.26 3.78 0.00 0.00 -1.01 -4.22 105.19 104.04 2gq3 n GLY 219 Ca -0.17 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 2gq3 n GLY 219 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2gq3 s TYR 220 N -3.00 0.09 0.21 1.61 -0.85 -0.21 -0.57 117.35 114.63 2gq3 s TYR 220 Ca 0.00 -0.61 0.08 0.00 -0.52 0.00 0.00 57.07 56.01 2gq3 s TYR 220 Cb 0.00 0.65 -0.05 0.00 0.38 0.00 0.00 41.96 42.95 2gq3 s TYR 220 CO 0.00 -1.35 -0.14 0.95 -1.52 0.00 0.00 175.55 173.49 2gq3 s THR 221 N -3.19 1.77 0.00 -3.49 -4.23 -0.70 -0.42 115.64 105.37 2gq3 s THR 221 Ca 0.15 -2.22 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 2gq3 s THR 221 Cb -0.05 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.70 2gq3 s THR 221 CO 0.10 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 2gq3 n GLY 222 N -0.41 -2.13 3.75 3.99 0.00 -1.26 -1.49 105.19 107.64 2gq3 n GLY 222 Ca -0.08 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 2gq3 n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gq3 s ALA 223 N -1.04 3.48 0.33 4.61 0.00 -1.26 -4.79 121.76 123.08 2gq3 s ALA 223 Ca 0.00 1.06 0.11 0.00 0.00 0.00 0.00 51.96 53.13 2gq3 s ALA 223 Cb 0.00 -3.44 1.00 0.00 0.00 0.00 0.00 23.12 20.69 2gq3 s ALA 223 CO 0.00 -0.45 1.63 0.00 0.00 0.00 0.00 175.76 176.94 2gq3 h ALA 224 N 4.72 1.73 -0.00 0.00 0.00 -1.89 0.13 119.26 123.94 2gq3 h ALA 224 Ca -0.46 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2gq3 h ALA 224 Cb 1.22 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2gq3 h ALA 224 CO 0.73 -0.63 -0.28 -0.85 0.00 0.00 0.00 179.25 178.23 2gq3 n GLU 225 N -5.19 0.07 -2.79 0.00 0.00 -1.26 -0.43 120.64 111.03 2gq3 n GLU 225 Ca 0.29 -0.03 -0.10 0.00 0.00 0.00 0.00 57.16 57.32 2gq3 n GLU 225 Cb 0.94 -1.50 0.07 0.00 0.00 0.00 0.00 31.44 30.96 2gq3 n GLU 225 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2gq3 n SER 226 N -1.44 -1.45 -4.77 -1.84 2.88 0.22 -4.85 113.62 102.38 2gq3 n SER 226 Ca 0.07 -3.23 -0.41 0.00 -1.33 0.00 0.00 58.87 53.96 2gq3 n SER 226 Cb 0.33 1.12 -0.01 0.00 -0.75 0.00 0.00 64.21 64.91 2gq3 n SER 226 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2gq3 s PRO 227 N -0.44 4.14 0.33 -1.46 0.04 0.09 -4.16 135.00 133.55 2gq3 s PRO 227 Ca 0.25 2.53 0.26 0.00 0.04 0.00 0.00 61.00 64.08 2gq3 s PRO 227 Cb 0.34 -3.00 0.80 0.00 0.04 0.00 0.00 34.50 32.68 2gq3 s PRO 227 CO -0.06 -0.54 1.75 1.79 0.04 0.00 0.00 177.00 179.99 2gq3 h THR 228 N 3.16 0.00 -2.23 1.26 1.35 -1.54 -3.44 112.91 111.47 2gq3 h THR 228 Ca -0.49 -0.58 0.08 0.00 -0.55 0.00 0.00 66.41 64.87 2gq3 h THR 228 Cb 1.23 1.52 -0.16 0.00 -1.73 0.00 0.00 68.15 69.01 2gq3 h THR 228 CO 0.70 0.00 0.44 -0.94 -0.25 0.00 0.00 175.52 175.48 2gq3 s SER 229 N -5.11 -0.41 -0.13 5.36 1.04 -1.20 -1.59 113.70 111.66 2gq3 s SER 229 Ca 0.07 0.12 -0.00 0.00 0.48 0.00 0.00 55.95 56.62 2gq3 s SER 229 Cb 0.09 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.65 2gq3 s SER 229 CO 0.57 -0.62 -0.10 -0.69 0.98 0.00 0.00 173.24 173.38 2gq3 s VAL 230 N -2.72 1.25 -0.20 5.02 1.01 -0.18 -1.72 120.40 122.86 2gq3 s VAL 230 Ca 0.02 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.44 2gq3 s VAL 230 Cb -0.01 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 2gq3 s VAL 230 CO -0.06 0.40 0.26 -0.22 0.00 0.00 0.00 175.10 175.48 2gq3 s LEU 231 N 1.62 4.19 0.34 3.92 2.96 0.27 -1.66 118.68 130.32 2gq3 s LEU 231 Ca 0.05 0.37 0.08 0.00 -0.22 0.00 0.00 54.13 54.41 2gq3 s LEU 231 Cb -0.13 -2.30 -0.07 0.00 0.50 0.00 0.00 46.19 44.20 2gq3 s LEU 231 CO -0.09 0.06 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.18 2gq3 s LEU 232 N 0.79 2.68 0.00 -0.68 1.43 0.17 -0.76 118.68 122.32 2gq3 s LEU 232 Ca 0.14 -1.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.00 2gq3 s LEU 232 Cb -0.13 -0.87 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 2gq3 s LEU 232 CO 0.04 -0.30 -0.02 -0.51 0.23 0.00 0.00 176.35 175.78 2gq3 s ILE 233 N -2.75 0.16 -0.14 -0.59 2.07 -0.07 -0.41 121.20 119.47 2gq3 s ILE 233 Ca 0.33 -0.24 -0.09 0.00 -1.41 0.00 0.00 60.65 59.23 2gq3 s ILE 233 Cb 0.05 -0.17 0.05 0.00 0.13 0.00 0.00 42.46 42.51 2gq3 s ILE 233 CO 0.16 -0.06 0.35 0.21 -1.91 0.00 0.00 174.94 173.69 2gq3 s ASN 234 N -0.32 -0.40 -1.50 4.50 3.04 0.39 -4.63 114.94 116.01 2gq3 s ASN 234 Ca -0.02 0.73 -0.13 0.00 0.04 0.00 0.00 52.86 53.49 2gq3 s ASN 234 Cb -0.02 0.66 0.08 0.00 -1.54 0.00 0.00 41.25 40.43 2gq3 s ASN 234 CO -0.00 -0.16 0.92 1.41 -3.04 0.00 0.00 177.10 176.23 2gq3 n HIS 235 N 3.75 -2.26 -1.00 0.43 8.25 -1.26 -1.25 115.22 121.88 2gq3 n HIS 235 Ca -0.20 0.84 -0.00 0.00 -0.26 0.00 0.00 57.72 58.10 2gq3 n HIS 235 Cb 0.56 -3.94 -0.00 0.00 1.12 0.00 0.00 29.99 27.72 2gq3 n HIS 235 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2gq3 n GLY 236 N -1.64 0.17 3.49 -1.41 0.00 -1.26 -4.61 105.19 99.92 2gq3 n GLY 236 Ca 0.03 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2gq3 n GLY 236 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gq3 s LEU 237 N -0.04 2.77 0.25 0.99 1.43 -0.38 -4.92 118.68 118.79 2gq3 s LEU 237 Ca 0.00 -0.18 -0.08 0.00 -1.03 0.00 0.00 54.13 52.84 2gq3 s LEU 237 Cb 0.00 -1.57 -0.06 0.00 0.03 0.00 0.00 46.19 44.59 2gq3 s LEU 237 CO 0.00 0.34 0.55 -1.00 0.23 0.00 0.00 176.35 176.48 2gq3 s HIS 238 N -0.75 3.45 -0.07 0.29 3.76 -1.26 -0.46 115.29 120.24 2gq3 s HIS 238 Ca 0.12 0.79 -0.00 0.00 -0.15 0.00 0.00 55.06 55.81 2gq3 s HIS 238 Cb -0.11 -2.21 0.03 0.00 1.11 0.00 0.00 32.58 31.40 2gq3 s HIS 238 CO 0.01 0.22 -0.03 0.42 -0.85 0.00 0.00 174.74 174.51 2gq3 s ILE 239 N -1.93 0.60 -0.20 0.60 1.01 0.45 -1.42 121.20 120.33 2gq3 s ILE 239 Ca 0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 60.65 61.04 2gq3 s ILE 239 Cb -0.11 -0.69 0.01 0.00 0.01 0.00 0.00 42.46 41.68 2gq3 s ILE 239 CO 0.25 0.28 -0.14 -0.70 0.00 0.00 0.00 174.94 174.63 2gq3 s GLU 240 N 1.61 3.14 -0.39 2.79 2.12 0.08 0.41 118.70 128.47 2gq3 s GLU 240 Ca 0.00 -0.75 -0.20 0.00 0.36 0.00 0.00 54.97 54.38 2gq3 s GLU 240 Cb -0.13 -2.74 0.01 0.00 0.26 0.00 0.00 34.13 31.53 2gq3 s GLU 240 CO -0.04 -0.20 0.64 0.42 -0.54 0.00 0.00 175.26 175.53 2gq3 s ILE 241 N 1.35 4.86 -0.10 -3.70 1.01 -0.66 -0.15 121.20 123.82 2gq3 s ILE 241 Ca 0.05 0.39 -0.26 0.00 0.00 0.00 0.00 60.65 60.84 2gq3 s ILE 241 Cb -0.14 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 2gq3 s ILE 241 CO -0.09 -0.43 0.81 -0.76 0.00 0.00 0.00 174.94 174.47 2gq3 s LEU 242 N 2.76 4.27 -0.22 2.97 1.43 -0.38 -1.01 118.68 128.49 2gq3 s LEU 242 Ca 0.24 1.28 -0.04 0.00 -1.03 0.00 0.00 54.13 54.57 2gq3 s LEU 242 Cb -0.14 -3.25 -0.01 0.00 0.03 0.00 0.00 46.19 42.82 2gq3 s LEU 242 CO 0.17 -0.26 -0.02 -0.63 0.23 0.00 0.00 176.35 175.83 2gq3 s ILE 243 N 1.41 3.61 -0.32 -0.59 1.01 -0.62 0.61 121.20 126.32 2gq3 s ILE 243 Ca 0.41 -0.42 0.06 0.00 0.00 0.00 0.00 60.65 60.70 2gq3 s ILE 243 Cb -0.18 -2.65 0.19 0.00 0.01 0.00 0.00 42.46 39.84 2gq3 s ILE 243 CO 0.18 0.41 0.58 -0.62 0.00 0.00 0.00 174.94 175.49 2gq3 s ASP 244 N 1.40 -1.41 0.50 3.58 -1.08 0.29 -4.71 116.67 115.25 2gq3 s ASP 244 Ca 0.05 -0.13 0.30 0.00 -0.52 0.00 0.00 52.55 52.24 2gq3 s ASP 244 Cb -0.14 1.92 1.63 0.00 -1.46 0.00 0.00 42.92 44.87 2gq3 s ASP 244 CO -0.01 -0.27 1.90 -0.65 0.52 0.00 0.00 175.17 176.66 2gq3 h PRO 245 N 7.74 0.00 -0.00 4.34 0.11 -1.80 -2.16 132.00 140.23 2gq3 h PRO 245 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2gq3 h PRO 245 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2gq3 h PRO 245 CO 0.15 0.00 -0.66 0.39 -0.21 0.00 0.00 178.00 177.66 2gq3 n GLU 246 N -2.62 1.83 -1.88 1.05 1.02 -1.26 -2.35 120.64 116.43 2gq3 n GLU 246 Ca -0.02 -0.14 -0.33 0.00 -0.02 0.00 0.00 57.16 56.65 2gq3 n GLU 246 Cb 0.15 -1.24 0.03 0.00 -0.02 0.00 0.00 31.44 30.36 2gq3 n GLU 246 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2gq3 s SER 247 N -2.37 5.46 0.28 1.62 1.04 -0.81 -4.79 113.70 114.12 2gq3 s SER 247 Ca 0.07 1.88 0.01 0.00 0.48 0.00 0.00 55.95 58.39 2gq3 s SER 247 Cb 0.12 -2.54 0.63 0.00 0.10 0.00 0.00 66.02 64.33 2gq3 s SER 247 CO 0.60 -1.39 1.73 -0.61 0.98 0.00 0.00 173.24 174.55 2gq3 h GLN 248 N 0.16 0.49 0.18 4.02 4.15 -1.92 -0.17 115.11 122.02 2gq3 h GLN 248 Ca -0.47 -0.03 -0.27 0.00 0.77 0.00 0.00 58.65 58.66 2gq3 h GLN 248 Cb 1.23 -0.11 0.02 0.00 0.21 0.00 0.00 27.48 28.83 2gq3 h GLN 248 CO 0.56 0.32 -1.21 0.28 -1.93 0.00 0.00 178.83 176.85 2gq3 h VAL 249 N 0.50 1.32 -0.52 2.39 2.07 -1.90 -3.38 116.25 116.72 2gq3 h VAL 249 Ca 0.51 -2.57 0.10 0.00 0.82 0.00 0.00 66.70 65.56 2gq3 h VAL 249 Cb 0.86 3.05 -0.11 0.00 -1.52 0.00 0.00 31.29 33.57 2gq3 h VAL 249 CO -0.45 0.76 -0.24 1.23 0.02 0.00 0.00 177.57 178.89 2gq3 h GLY 250 N -0.04 0.11 1.77 2.17 0.00 -1.51 -1.17 103.07 104.40 2gq3 h GLY 250 Ca -0.22 0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.42 2gq3 h GLY 250 CO 0.19 -0.22 0.11 -0.91 0.00 0.00 0.00 176.54 175.71 2gq3 h THR 251 N -0.12 0.08 -0.01 4.70 1.35 -0.64 0.75 112.91 119.02 2gq3 h THR 251 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 2gq3 h THR 251 Cb 0.49 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 2gq3 h THR 251 CO -0.60 0.00 -0.58 0.35 -0.25 0.00 0.00 175.52 174.44 2gq3 n THR 252 N -3.14 0.00 -3.75 6.82 -2.24 -0.49 -4.93 114.28 106.55 2gq3 n THR 252 Ca -0.02 -0.12 -0.37 0.00 -2.27 0.00 0.00 64.05 61.26 2gq3 n THR 252 Cb 0.18 0.87 -0.06 0.00 -2.10 0.00 0.00 70.33 69.22 2gq3 n THR 252 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2gq3 s ASP 253 N -2.70 6.53 0.56 3.42 -1.08 0.26 -4.99 116.67 118.66 2gq3 s ASP 253 Ca 0.16 0.62 0.25 0.00 -0.52 0.00 0.00 52.55 53.06 2gq3 s ASP 253 Cb 0.18 -2.12 1.59 0.00 -1.46 0.00 0.00 42.92 41.11 2gq3 s ASP 253 CO 0.66 0.36 2.20 0.03 0.52 0.00 0.00 175.17 178.94 2gq3 h ARG 254 N 4.72 0.00 -0.26 4.34 3.08 -1.85 -2.17 114.38 122.23 2gq3 h ARG 254 Ca -0.53 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.50 2gq3 h ARG 254 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 2gq3 h ARG 254 CO 0.60 0.02 -0.00 0.00 -1.07 0.00 0.00 179.97 179.52 2gq3 n ALA 255 N -2.39 3.08 -2.83 0.04 0.00 -1.24 -4.45 120.51 112.72 2gq3 n ALA 255 Ca -0.03 -2.39 -0.13 0.00 0.00 0.00 0.00 53.44 50.89 2gq3 n ALA 255 Cb 0.11 -0.71 -0.01 0.00 0.00 0.00 0.00 19.45 18.84 2gq3 n ALA 255 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gq3 n GLY 256 N -0.60 -0.49 3.68 0.00 0.00 -0.82 -4.62 105.19 102.35 2gq3 n GLY 256 Ca 0.22 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2gq3 n GLY 256 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gq3 s VAL 257 N -2.52 3.62 -0.11 1.61 1.01 -1.26 0.11 120.40 122.87 2gq3 s VAL 257 Ca 0.16 0.93 0.11 0.00 0.00 0.00 0.00 61.98 63.17 2gq3 s VAL 257 Cb -0.09 -3.60 -0.24 0.00 0.00 0.00 0.00 36.38 32.46 2gq3 s VAL 257 CO 0.19 -0.03 0.42 1.17 0.00 0.00 0.00 175.10 176.85 2gq3 n LYS 258 N 6.06 0.66 -3.58 2.72 4.81 0.20 -3.60 118.16 125.45 2gq3 n LYS 258 Ca 0.15 0.21 -0.06 0.00 -0.87 0.00 0.00 58.31 57.73 2gq3 n LYS 258 Cb 0.43 -1.70 -0.02 0.00 0.02 0.00 0.00 35.03 33.76 2gq3 n LYS 258 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2gq3 s ASP 259 N -6.09 -0.27 -0.19 3.14 -1.08 -1.19 -4.70 116.67 106.29 2gq3 s ASP 259 Ca -0.10 -0.09 0.01 0.00 -0.52 0.00 0.00 52.55 51.85 2gq3 s ASP 259 Cb 0.07 0.35 0.02 0.00 -1.46 0.00 0.00 42.92 41.91 2gq3 s ASP 259 CO 0.81 -0.60 -0.18 -0.69 0.52 0.00 0.00 175.17 175.03 2gq3 s VAL 260 N -3.00 2.16 -0.21 1.11 1.01 -1.26 -1.25 120.40 118.96 2gq3 s VAL 260 Ca 0.08 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 2gq3 s VAL 260 Cb -0.01 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2gq3 s VAL 260 CO -0.06 0.49 0.10 -0.63 0.00 0.00 0.00 175.10 175.01 2gq3 s ILE 261 N 1.29 5.05 -0.15 2.22 -1.09 0.79 -0.52 121.20 128.80 2gq3 s ILE 261 Ca 0.04 0.07 -0.06 0.00 -2.23 0.00 0.00 60.65 58.47 2gq3 s ILE 261 Cb -0.14 -3.31 -0.04 0.00 -1.58 0.00 0.00 42.46 37.39 2gq3 s ILE 261 CO -0.12 0.42 0.06 -0.76 -1.23 0.00 0.00 174.94 173.31 2gq3 s LEU 262 N 0.64 3.88 -0.04 2.97 1.43 0.16 -0.74 118.68 126.98 2gq3 s LEU 262 Ca 0.06 0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 53.03 2gq3 s LEU 262 Cb -0.13 -1.95 -0.06 0.00 0.03 0.00 0.00 46.19 44.09 2gq3 s LEU 262 CO 0.01 0.27 1.63 -0.70 0.23 0.00 0.00 176.35 177.79 2gq3 s GLU 263 N -0.21 4.19 0.00 1.70 2.12 -0.50 -0.87 118.70 125.13 2gq3 s GLU 263 Ca 0.08 2.18 0.00 0.00 0.36 0.00 0.00 54.97 57.59 2gq3 s GLU 263 Cb -0.12 -3.93 0.00 0.00 0.26 0.00 0.00 34.13 30.34 2gq3 s GLU 263 CO 0.01 -0.82 0.00 0.43 -0.54 0.00 0.00 175.26 174.34 2gq3 n SER 264 N 6.91 0.00 -4.51 -1.70 7.64 0.65 -4.68 113.62 117.92 2gq3 n SER 264 Ca 0.17 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.62 2gq3 n SER 264 Cb 0.43 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.61 2gq3 n SER 264 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gq3 s ALA 265 N -2.00 3.27 0.30 -0.43 0.00 -1.06 -3.73 121.76 118.10 2gq3 s ALA 265 Ca 0.00 -2.74 0.00 0.00 0.00 0.00 0.00 51.96 49.22 2gq3 s ALA 265 Cb 0.00 -4.32 0.46 0.00 0.00 0.00 0.00 23.12 19.26 2gq3 s ALA 265 CO 0.00 -3.20 1.86 0.82 0.00 0.00 0.00 175.76 175.23 2gq3 h ILE 266 N 5.88 1.21 -3.22 0.00 2.04 -1.85 -3.22 117.51 118.35 2gq3 h ILE 266 Ca 0.25 -0.75 -0.38 0.00 1.00 0.00 0.00 64.86 64.98 2gq3 h ILE 266 Cb 0.96 0.66 -0.15 0.00 -0.74 0.00 0.00 36.82 37.56 2gq3 h ILE 266 CO 1.30 0.28 -0.73 0.42 0.00 0.00 0.00 178.15 179.42 2gq3 s THR 267 N -5.23 1.39 0.00 -0.27 -4.23 -1.25 -0.78 115.64 105.27 2gq3 s THR 267 Ca -0.09 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 58.34 2gq3 s THR 267 Cb 0.16 -1.88 -0.00 0.00 1.34 0.00 0.00 72.50 72.11 2gq3 s THR 267 CO 0.79 -0.66 -0.01 -0.89 -0.54 0.00 0.00 174.62 173.32 2gq3 s THR 268 N -3.07 0.02 -0.23 3.99 2.01 -0.03 -2.57 115.64 115.76 2gq3 s THR 268 Ca 0.18 -0.15 -0.02 0.00 0.31 0.00 0.00 61.69 62.01 2gq3 s THR 268 Cb 0.01 -0.05 0.01 0.00 0.01 0.00 0.00 72.50 72.48 2gq3 s THR 268 CO 0.03 -0.08 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.18 2gq3 s ILE 269 N -0.24 2.97 -0.42 1.82 1.01 0.24 0.01 121.20 126.59 2gq3 s ILE 269 Ca -0.03 -0.83 -0.24 0.00 0.00 0.00 0.00 60.65 59.56 2gq3 s ILE 269 Cb -0.02 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 40.04 2gq3 s ILE 269 CO -0.00 0.31 0.82 -0.04 0.00 0.00 0.00 174.94 176.02 2gq3 s MET 270 N 1.38 3.54 -0.27 2.79 -1.94 0.34 -1.32 119.30 123.83 2gq3 s MET 270 Ca 0.03 0.08 -0.11 0.00 -1.71 0.00 0.00 55.69 53.98 2gq3 s MET 270 Cb -0.15 -3.89 -0.05 0.00 2.01 0.00 0.00 34.83 32.74 2gq3 s MET 270 CO -0.05 -1.06 0.19 0.34 -0.01 0.00 0.00 175.02 174.44 2gq3 s ASP 271 N 2.07 6.06 0.00 3.03 2.15 0.76 -0.65 116.67 130.08 2gq3 s ASP 271 Ca 0.32 0.04 0.25 0.00 0.43 0.00 0.00 52.55 53.58 2gq3 s ASP 271 Cb -0.12 -2.12 0.50 0.00 -0.30 0.00 0.00 42.92 40.87 2gq3 s ASP 271 CO 0.22 -0.03 1.41 0.49 -0.17 0.00 0.00 175.17 177.08 2gq3 n PHE 272 N 4.90 0.00 0.00 -5.34 3.01 0.07 -1.85 117.46 118.25 2gq3 n PHE 272 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.32 2gq3 n PHE 272 Cb 0.52 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 2gq3 n PHE 272 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2gq3 n GLU 273 N -1.37 0.00 0.28 -1.08 2.13 -1.24 -4.69 120.64 114.68 2gq3 n GLU 273 Ca 0.06 0.00 0.14 0.00 0.66 0.00 0.00 57.16 58.02 2gq3 n GLU 273 Cb 0.34 0.00 0.74 0.00 0.27 0.00 0.00 31.44 32.79 2gq3 n GLU 273 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2gq3 h ASP 274 N 0.00 0.00 -0.23 4.31 3.45 -1.94 -1.76 116.42 120.25 2gq3 h ASP 274 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2gq3 h ASP 274 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2gq3 h ASP 274 CO 0.00 0.00 0.00 -1.54 -1.57 0.00 0.00 179.24 176.13 2gq3 n SER 275 N -2.67 2.85 -4.26 6.45 3.41 -1.26 -3.00 113.62 115.14 2gq3 n SER 275 Ca -0.02 -1.90 -0.16 0.00 -0.26 0.00 0.00 58.87 56.53 2gq3 n SER 275 Cb 0.30 -0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 64.00 2gq3 n SER 275 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2gq3 s VAL 276 N -1.71 1.29 -0.26 -3.33 -7.23 -0.66 -2.53 120.40 105.96 2gq3 s VAL 276 Ca 0.35 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.49 2gq3 s VAL 276 Cb 0.21 -1.79 0.02 0.00 0.56 0.00 0.00 36.38 35.38 2gq3 s VAL 276 CO 0.30 -0.64 -0.02 0.00 -0.31 0.00 0.00 175.10 174.43 2gq3 s ALA 277 N -2.97 2.80 -0.27 1.32 0.00 -1.26 -4.64 121.76 116.73 2gq3 s ALA 277 Ca 0.15 -1.47 -0.00 0.00 0.00 0.00 0.00 51.96 50.64 2gq3 s ALA 277 Cb 0.00 -1.82 0.14 0.00 0.00 0.00 0.00 23.12 21.44 2gq3 s ALA 277 CO 0.02 -0.86 0.34 0.00 0.00 0.00 0.00 175.76 175.26 2gq3 s ALA 278 N 1.37 -0.77 -1.14 0.00 0.00 -1.26 -4.90 121.76 115.06 2gq3 s ALA 278 Ca 0.01 0.11 0.09 0.00 0.00 0.00 0.00 51.96 52.17 2gq3 s ALA 278 Cb -0.17 -1.82 0.07 0.00 0.00 0.00 0.00 23.12 21.20 2gq3 s ALA 278 CO -0.02 -1.60 0.77 1.33 0.00 0.00 0.00 175.76 176.24 2gq3 n VAL 279 N 5.33 0.00 -3.84 0.00 0.24 -1.26 -4.88 118.33 113.92 2gq3 n VAL 279 Ca -0.02 -0.49 -0.08 0.00 -2.04 0.00 0.00 64.34 61.71 2gq3 n VAL 279 Cb 0.48 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 34.04 2gq3 n VAL 279 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2gq3 s ASP 280 N -0.85 -0.10 0.29 -1.34 1.47 -1.26 -4.68 116.67 110.20 2gq3 s ASP 280 Ca 0.11 -0.91 0.00 0.00 1.18 0.00 0.00 52.55 52.93 2gq3 s ASP 280 Cb 0.08 0.79 0.51 0.00 -0.34 0.00 0.00 42.92 43.95 2gq3 s ASP 280 CO 0.13 -1.52 1.91 0.00 0.68 0.00 0.00 175.17 176.37 2gq3 h ALA 281 N 2.01 1.49 -0.16 2.11 0.00 -1.92 -2.33 119.26 120.46 2gq3 h ALA 281 Ca -0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2gq3 h ALA 281 Cb 1.25 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2gq3 h ALA 281 CO 0.33 0.37 0.09 0.00 0.00 0.00 0.00 179.25 180.04 2gq3 h ALA 282 N 1.50 0.21 -0.62 0.00 0.00 -1.98 0.10 119.26 118.48 2gq3 h ALA 282 Ca 0.40 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 2gq3 h ALA 282 Cb 0.19 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2gq3 h ALA 282 CO -0.15 -0.27 0.28 -0.44 0.00 0.00 0.00 179.25 178.66 2gq3 h ASP 283 N 0.18 0.80 -0.08 0.00 3.32 -1.88 -2.02 116.42 116.73 2gq3 h ASP 283 Ca 0.06 -0.09 -0.21 0.00 0.02 0.00 0.00 57.03 56.81 2gq3 h ASP 283 Cb 0.04 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.40 2gq3 h ASP 283 CO -0.01 0.69 -0.75 0.11 -1.72 0.00 0.00 179.24 177.56 2gq3 h LYS 284 N 0.87 0.66 -0.78 3.56 1.79 -1.20 -2.51 116.57 118.96 2gq3 h LYS 284 Ca 0.21 -0.60 0.08 0.00 -2.18 0.00 0.00 60.65 58.17 2gq3 h LYS 284 Cb 0.12 0.14 -0.07 0.00 -1.58 0.00 0.00 32.23 30.85 2gq3 h LYS 284 CO -0.02 1.21 0.44 0.28 -1.08 0.00 0.00 179.45 180.27 2gq3 h VAL 285 N 0.32 0.94 -0.28 0.50 2.07 -0.59 0.19 116.25 119.39 2gq3 h VAL 285 Ca -0.07 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.24 2gq3 h VAL 285 Cb 1.41 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 2gq3 h VAL 285 CO 0.15 0.14 -0.07 -0.07 0.02 0.00 0.00 177.57 177.75 2gq3 h LEU 286 N 0.77 -0.26 -0.37 2.57 3.38 -1.22 0.15 115.31 120.33 2gq3 h LEU 286 Ca 0.36 0.08 -0.18 0.00 0.09 0.00 0.00 57.88 58.23 2gq3 h LEU 286 Cb 0.28 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2gq3 h LEU 286 CO -0.22 -0.09 -0.61 1.23 0.09 0.00 0.00 178.44 178.84 2gq3 h GLY 287 N 0.00 0.76 1.05 0.83 0.00 -0.98 -2.63 103.07 102.10 2gq3 h GLY 287 Ca 0.14 -0.93 -0.08 0.00 0.00 0.00 0.00 47.33 46.45 2gq3 h GLY 287 CO -0.29 0.83 0.05 -0.97 0.00 0.00 0.00 176.54 176.16 2gq3 h TYR 288 N 0.51 1.10 -0.81 5.60 0.05 -0.33 -1.28 116.97 121.80 2gq3 h TYR 288 Ca -0.00 -0.17 0.09 0.00 0.05 0.00 0.00 58.73 58.70 2gq3 h TYR 288 Cb 1.19 -0.29 -0.07 0.00 1.01 0.00 0.00 36.73 38.57 2gq3 h TYR 288 CO 0.06 0.96 0.46 -0.09 -1.05 0.00 0.00 178.16 178.50 2gq3 h ARG 289 N 0.92 0.75 -0.35 4.88 2.43 -0.70 0.37 114.38 122.69 2gq3 h ARG 289 Ca 0.17 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.21 2gq3 h ARG 289 Cb 0.49 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2gq3 h ARG 289 CO 0.02 0.50 -0.11 -0.91 -1.51 0.00 0.00 179.97 177.95 2gq3 h ASN 290 N 0.77 0.71 -0.97 -3.80 2.35 -1.05 -0.48 115.58 113.10 2gq3 h ASN 290 Ca 0.39 -0.38 0.15 0.00 -0.55 0.00 0.00 56.30 55.91 2gq3 h ASN 290 Cb 0.37 -0.19 -0.09 0.00 0.05 0.00 0.00 38.32 38.46 2gq3 h ASN 290 CO -0.25 0.93 0.61 -0.25 -1.65 0.00 0.00 177.43 176.82 2gq3 h TRP 291 N 0.48 1.02 -0.20 1.19 -0.00 -1.05 -1.26 115.95 116.12 2gq3 h TRP 291 Ca 0.09 0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 58.98 2gq3 h TRP 291 Cb 0.63 -0.32 -0.01 0.00 -0.00 0.00 0.00 29.16 29.47 2gq3 h TRP 291 CO 0.05 0.35 0.03 1.25 -0.00 0.00 0.00 178.44 180.12 2gq3 h LEU 292 N 0.84 0.32 -0.95 0.65 5.85 -0.29 -1.80 115.31 119.94 2gq3 h LEU 292 Ca 0.50 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.86 2gq3 h LEU 292 Cb 0.68 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2gq3 h LEU 292 CO -0.27 0.51 -0.32 1.23 -0.34 0.00 0.00 178.44 179.24 2gq3 h GLY 293 N 0.13 0.41 0.86 3.75 0.00 -0.66 0.94 103.07 108.50 2gq3 h GLY 293 Ca 0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2gq3 h GLY 293 CO 0.00 0.32 0.04 1.41 0.00 0.00 0.00 176.54 178.31 2gq3 h LEU 294 N 0.33 0.13 -0.61 3.11 3.38 -1.12 0.33 115.31 120.86 2gq3 h LEU 294 Ca 0.04 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 2gq3 h LEU 294 Cb 0.73 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2gq3 h LEU 294 CO 0.06 0.27 -0.69 0.78 0.09 0.00 0.00 178.44 178.94 2gq3 h ASN 295 N -0.01 0.04 0.88 -0.43 2.35 -1.01 -2.49 115.58 114.91 2gq3 h ASN 295 Ca 0.03 -0.03 -0.18 0.00 -0.55 0.00 0.00 56.30 55.57 2gq3 h ASN 295 Cb 0.18 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 2gq3 h ASN 295 CO -0.00 0.72 -0.87 0.11 -1.65 0.00 0.00 177.43 175.74 2gq3 h LYS 296 N 0.02 0.00 0.00 0.81 1.57 -0.80 -3.19 116.57 114.97 2gq3 h LYS 296 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2gq3 h LYS 296 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2gq3 h LYS 296 CO 0.09 0.87 0.00 0.41 -0.57 0.00 0.00 179.45 180.25 2gq3 n GLY 297 N 0.99 0.60 0.76 3.86 0.00 0.11 -3.08 105.19 108.43 2gq3 n GLY 297 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 2gq3 n GLY 297 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2gq3 n ASP 298 N 0.00 2.69 -4.74 1.61 3.85 -0.69 -4.66 116.55 114.61 2gq3 n ASP 298 Ca 0.00 -1.79 -0.41 0.00 -0.71 0.00 0.00 54.79 51.88 2gq3 n ASP 298 Cb 0.00 -0.10 0.01 0.00 -1.35 0.00 0.00 41.12 39.68 2gq3 n ASP 298 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 2gq3 n LEU 299 N 0.99 4.49 -3.97 -2.12 7.94 -0.88 -5.00 117.00 118.45 2gq3 n LEU 299 Ca 0.12 1.15 -0.10 0.00 -1.11 0.00 0.00 56.01 56.08 2gq3 n LEU 299 Cb 0.45 -1.56 -0.07 0.00 0.53 0.00 0.00 43.42 42.77 2gq3 n LEU 299 CO 0.11 -0.29 -0.00 0.00 -1.11 0.00 0.00 177.39 176.10 2gq3 s ALA 300 N -1.17 0.01 -0.28 1.96 0.00 -1.26 -4.15 121.76 116.87 2gq3 s ALA 300 Ca 0.59 -0.91 -0.16 0.00 0.00 0.00 0.00 51.96 51.48 2gq3 s ALA 300 Cb -0.49 0.91 0.09 0.00 0.00 0.00 0.00 23.12 23.63 2gq3 s ALA 300 CO 0.60 -0.67 0.69 0.00 0.00 0.00 0.00 175.76 176.38 2gq3 s ALA 301 N -3.98 -1.91 0.13 0.00 0.00 -0.92 -4.90 121.76 110.18 2gq3 s ALA 301 Ca 0.19 2.42 -0.30 0.00 0.00 0.00 0.00 51.96 54.26 2gq3 s ALA 301 Cb 0.03 -1.47 -0.07 0.00 0.00 0.00 0.00 23.12 21.62 2gq3 s ALA 301 CO 0.02 -0.43 1.10 0.00 0.00 0.00 0.00 175.76 176.45 2gq3 s ALA 302 N 1.74 3.35 -0.01 0.00 0.00 -1.26 -1.08 121.76 124.50 2gq3 s ALA 302 Ca -0.10 0.78 0.02 0.00 0.00 0.00 0.00 51.96 52.67 2gq3 s ALA 302 Cb -0.06 -3.37 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 2gq3 s ALA 302 CO -0.20 -0.25 -0.07 0.08 0.00 0.00 0.00 175.76 175.33 2gq3 s VAL 303 N 0.17 0.58 -0.21 0.00 1.01 -0.17 -4.89 120.40 116.89 2gq3 s VAL 303 Ca 0.51 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 2gq3 s VAL 303 Cb -0.28 -0.50 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 2gq3 s VAL 303 CO 0.33 0.18 -0.08 -0.62 0.00 0.00 0.00 175.10 174.91 2gq3 s ASP 304 N 0.03 4.06 -0.19 3.32 2.15 -1.26 -1.06 116.67 123.72 2gq3 s ASP 304 Ca -0.00 -0.44 -0.00 0.00 0.43 0.00 0.00 52.55 52.54 2gq3 s ASP 304 Cb -0.05 -1.69 0.05 0.00 -0.30 0.00 0.00 42.92 40.93 2gq3 s ASP 304 CO -0.00 -0.01 -0.05 -0.54 -0.17 0.00 0.00 175.17 174.40 2gq3 s LYS 305 N 1.42 1.47 -1.32 4.34 -0.14 -1.18 -4.84 119.74 119.49 2gq3 s LYS 305 Ca 0.05 -0.65 -0.07 0.00 -1.36 0.00 0.00 55.97 53.95 2gq3 s LYS 305 Cb -0.14 -2.19 0.01 0.00 -1.68 0.00 0.00 37.83 33.82 2gq3 s LYS 305 CO -0.05 -0.49 0.88 -0.25 -0.76 0.00 0.00 175.35 174.68 2gq3 n ASP 306 N 4.82 -5.94 -0.67 2.83 9.92 -1.26 -2.56 116.55 123.70 2gq3 n ASP 306 Ca -0.12 -0.40 -0.09 0.00 -0.53 0.00 0.00 54.79 53.65 2gq3 n ASP 306 Cb 0.47 -4.64 -0.04 0.00 -0.64 0.00 0.00 41.12 36.27 2gq3 n ASP 306 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2gq3 n GLY 307 N -1.72 1.01 3.72 0.44 0.00 -1.26 -5.02 105.19 102.36 2gq3 n GLY 307 Ca -0.04 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 2gq3 n GLY 307 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gq3 s THR 308 N -2.19 4.49 -0.61 2.61 2.01 -1.06 -5.10 115.64 115.80 2gq3 s THR 308 Ca 0.00 -0.22 -0.24 0.00 0.31 0.00 0.00 61.69 61.54 2gq3 s THR 308 Cb 0.00 -2.92 0.05 0.00 0.01 0.00 0.00 72.50 69.64 2gq3 s THR 308 CO 0.00 0.58 1.01 0.00 -0.69 0.00 0.00 174.62 175.51 2gq3 s ALA 309 N -0.94 3.08 0.27 7.40 0.00 -1.26 -3.08 121.76 127.24 2gq3 s ALA 309 Ca 0.15 -1.40 0.08 0.00 0.00 0.00 0.00 51.96 50.78 2gq3 s ALA 309 Cb -0.11 -3.86 -0.04 0.00 0.00 0.00 0.00 23.12 19.11 2gq3 s ALA 309 CO 0.04 -2.63 0.13 -0.06 0.00 0.00 0.00 175.76 173.24 2gq3 s PHE 310 N 4.27 2.92 -0.19 0.00 0.40 -0.22 -5.00 117.98 120.16 2gq3 s PHE 310 Ca 0.29 -0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.45 2gq3 s PHE 310 Cb -0.13 -1.39 0.03 0.00 0.51 0.00 0.00 43.02 42.04 2gq3 s PHE 310 CO 0.16 0.51 -0.15 -1.17 0.70 0.00 0.00 175.22 175.27 2gq3 s LEU 311 N -3.80 2.30 -0.02 -0.37 2.96 -1.26 -0.99 118.68 117.49 2gq3 s LEU 311 Ca 0.34 -0.80 -0.30 0.00 -0.22 0.00 0.00 54.13 53.14 2gq3 s LEU 311 Cb -0.07 -1.37 -0.05 0.00 0.50 0.00 0.00 46.19 45.20 2gq3 s LEU 311 CO 0.23 -0.08 1.32 -0.60 -1.32 0.00 0.00 176.35 175.90 2gq3 s ARG 312 N 1.32 4.31 0.37 1.98 6.06 -0.24 -4.92 118.95 127.84 2gq3 s ARG 312 Ca 0.01 1.85 0.04 0.00 -2.50 0.00 0.00 55.73 55.13 2gq3 s ARG 312 Cb -0.15 -3.57 -0.05 0.00 0.06 0.00 0.00 34.95 31.24 2gq3 s ARG 312 CO -0.10 -0.52 0.06 0.14 -2.50 0.00 0.00 175.30 172.37 2gq3 s VAL 313 N 2.33 1.18 0.40 7.11 -7.23 -1.26 -2.17 120.40 120.76 2gq3 s VAL 313 Ca 0.61 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.51 2gq3 s VAL 313 Cb -0.29 -2.68 -0.09 0.00 0.56 0.00 0.00 36.38 33.89 2gq3 s VAL 313 CO 0.25 0.00 1.29 -0.76 -0.31 0.00 0.00 175.10 175.57 2gq3 s LEU 314 N -3.58 4.23 0.45 1.32 1.43 -1.26 -4.94 118.68 116.33 2gq3 s LEU 314 Ca 0.31 2.63 -0.24 0.00 -1.03 0.00 0.00 54.13 55.80 2gq3 s LEU 314 Cb 0.07 -3.90 -0.07 0.00 0.03 0.00 0.00 46.19 42.32 2gq3 s LEU 314 CO 0.15 -0.81 1.25 0.20 0.23 0.00 0.00 176.35 177.36 2gq3 s ASN 315 N -0.76 6.09 0.77 2.29 0.01 -1.26 -5.03 114.94 117.05 2gq3 s ASN 315 Ca 0.56 2.52 -0.09 0.00 -0.71 0.00 0.00 52.86 55.14 2gq3 s ASN 315 Cb -0.37 -2.62 0.08 0.00 0.41 0.00 0.00 41.25 38.75 2gq3 s ASN 315 CO 0.48 -0.99 1.11 0.00 -1.51 0.00 0.00 177.10 176.19 2gq3 s ARG 316 N -2.53 1.93 0.86 -0.60 3.03 -1.26 -4.60 118.95 115.78 2gq3 s ARG 316 Ca 0.62 -0.16 -0.12 0.00 2.03 0.00 0.00 55.73 58.10 2gq3 s ARG 316 Cb -0.34 -2.06 0.11 0.00 -1.03 0.00 0.00 34.95 31.63 2gq3 s ARG 316 CO 0.43 -1.51 1.10 -0.51 -1.13 0.00 0.00 175.30 173.68 2gq3 s ASP 317 N -4.59 3.86 -0.21 -2.89 1.11 -1.26 -3.86 116.67 108.83 2gq3 s ASP 317 Ca 0.62 1.30 -0.04 0.00 0.18 0.00 0.00 52.55 54.61 2gq3 s ASP 317 Cb -0.10 -1.99 -0.02 0.00 1.07 0.00 0.00 42.92 41.89 2gq3 s ASP 317 CO 0.47 -2.37 -0.03 -0.13 1.18 0.00 0.00 175.17 174.30 2gq3 s ARG 318 N -5.09 3.48 -0.11 8.23 0.52 0.74 -4.82 118.95 121.90 2gq3 s ARG 318 Ca 0.62 -0.58 -0.21 0.00 -0.52 0.00 0.00 55.73 55.04 2gq3 s ARG 318 Cb -0.16 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.25 2gq3 s ARG 318 CO 0.55 -0.09 0.62 -0.80 0.02 0.00 0.00 175.30 175.61 2gq3 s ASN 319 N 1.22 6.83 0.15 0.23 0.01 -1.26 -1.27 114.94 120.85 2gq3 s ASN 319 Ca 0.03 1.00 0.05 0.00 -0.71 0.00 0.00 52.86 53.23 2gq3 s ASN 319 Cb -0.14 -2.36 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 2gq3 s ASN 319 CO -0.00 -0.12 -0.11 -0.31 -1.51 0.00 0.00 177.10 175.04 2gq3 s TYR 320 N 1.03 1.33 -0.18 2.20 1.51 0.03 -4.89 117.35 118.39 2gq3 s TYR 320 Ca 0.32 -0.72 -0.14 0.00 -1.01 0.00 0.00 57.07 55.52 2gq3 s TYR 320 Cb -0.16 -0.67 -0.04 0.00 -0.11 0.00 0.00 41.96 40.97 2gq3 s TYR 320 CO 0.14 0.12 0.31 0.99 -1.11 0.00 0.00 175.55 176.01 2gq3 s THR 321 N -3.21 5.28 0.57 -0.71 2.01 0.43 -1.04 115.64 118.97 2gq3 s THR 321 Ca 0.17 0.57 -0.21 0.00 0.31 0.00 0.00 61.69 62.53 2gq3 s THR 321 Cb 0.02 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2gq3 s THR 321 CO 0.02 0.35 1.32 0.00 -0.69 0.00 0.00 174.62 175.62 2gq3 n ALA 322 N 3.86 1.41 -0.32 7.40 0.00 0.42 -1.05 120.51 132.24 2gq3 n ALA 322 Ca -0.11 0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.53 2gq3 n ALA 322 Cb 0.52 -2.34 0.23 0.00 0.00 0.00 0.00 19.45 17.86 2gq3 n ALA 322 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2gq3 h PRO 323 N 1.18 0.03 -0.04 0.00 0.11 -1.87 0.53 132.00 131.94 2gq3 h PRO 323 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2gq3 h PRO 323 Cb 1.32 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2gq3 h PRO 323 CO 0.56 0.02 0.00 0.41 -0.21 0.00 0.00 178.00 178.78 2gq3 n GLY 324 N -1.50 -0.81 0.00 -0.55 0.00 -1.26 -4.21 105.19 96.86 2gq3 n GLY 324 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2gq3 n GLY 324 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gq3 n GLY 325 N 0.59 1.80 3.80 -0.02 0.00 0.19 -5.03 105.19 106.51 2gq3 n GLY 325 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2gq3 n GLY 325 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gq3 s GLY 326 N -2.45 2.01 0.17 -0.02 0.00 -1.26 -4.61 107.32 101.17 2gq3 s GLY 326 Ca 0.00 0.35 -0.20 0.00 0.00 0.00 0.00 44.72 44.87 2gq3 s GLY 326 CO 0.00 0.67 0.68 1.20 0.00 0.00 0.00 173.10 175.65 2gq3 s GLN 327 N -4.33 4.25 0.19 2.90 -1.52 -1.26 0.16 119.66 120.04 2gq3 s GLN 327 Ca 0.63 0.83 0.00 0.00 -1.95 0.00 0.00 55.36 54.87 2gq3 s GLN 327 Cb -0.16 -3.01 -0.00 0.00 -0.22 0.00 0.00 33.01 29.62 2gq3 s GLN 327 CO 0.43 0.48 0.24 1.97 -0.25 0.00 0.00 175.29 178.15 2gq3 n PHE 328 N 1.05 -0.84 -3.72 0.91 1.16 -0.21 -4.86 117.46 110.95 2gq3 n PHE 328 Ca -0.05 -1.36 -0.12 0.00 -1.87 0.00 0.00 57.45 54.05 2gq3 n PHE 328 Cb 0.51 0.26 -0.13 0.00 -1.61 0.00 0.00 39.48 38.51 2gq3 n PHE 328 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 2gq3 s THR 329 N -2.67 -0.07 -0.09 1.97 2.01 -1.26 -0.79 115.64 114.74 2gq3 s THR 329 Ca 0.18 0.16 -0.03 0.00 0.31 0.00 0.00 61.69 62.31 2gq3 s THR 329 Cb -0.00 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 72.08 2gq3 s THR 329 CO 0.13 0.06 0.03 -0.76 -0.69 0.00 0.00 174.62 173.39 2gq3 s LEU 330 N 1.37 3.73 0.28 4.42 1.43 -0.39 -4.96 118.68 124.56 2gq3 s LEU 330 Ca -0.08 0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.92 2gq3 s LEU 330 Cb -0.10 -1.88 -0.13 0.00 0.03 0.00 0.00 46.19 44.10 2gq3 s LEU 330 CO -0.09 0.38 1.24 -0.81 0.23 0.00 0.00 176.35 177.30 2gq3 n PRO 331 N 2.06 1.77 0.04 1.29 -0.04 -1.26 -0.18 135.00 138.68 2gq3 n PRO 331 Ca -0.19 0.63 0.12 0.00 -0.04 0.00 0.00 63.50 64.02 2gq3 n PRO 331 Cb 0.54 -2.16 0.17 0.00 -0.04 0.00 0.00 33.50 32.01 2gq3 n PRO 331 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gq3 n GLY 332 N 1.48 -1.36 3.23 0.55 0.00 -1.25 -4.62 105.19 103.22 2gq3 n GLY 332 Ca 0.09 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 2gq3 n GLY 332 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gq3 s ARG 333 N -3.14 1.22 0.60 1.61 0.52 -1.26 -4.62 118.95 113.88 2gq3 s ARG 333 Ca 0.07 -0.95 -0.17 0.00 -0.52 0.00 0.00 55.73 54.16 2gq3 s ARG 333 Cb 0.14 -1.34 -0.03 0.00 0.52 0.00 0.00 34.95 34.24 2gq3 s ARG 333 CO 0.72 0.33 1.09 -1.54 0.02 0.00 0.00 175.30 175.93 2gq3 s SER 334 N -1.34 5.57 0.16 0.23 1.04 0.00 -4.90 113.70 114.46 2gq3 s SER 334 Ca 0.06 1.97 -0.31 0.00 0.48 0.00 0.00 55.95 58.15 2gq3 s SER 334 Cb -0.09 -2.55 -0.08 0.00 0.10 0.00 0.00 66.02 63.40 2gq3 s SER 334 CO 0.02 -1.31 1.33 -0.22 0.98 0.00 0.00 173.24 174.04 2gq3 s LEU 335 N -4.40 4.40 -0.27 2.42 0.20 0.04 -4.75 118.68 116.32 2gq3 s LEU 335 Ca 0.67 2.34 -0.12 0.00 0.69 0.00 0.00 54.13 57.71 2gq3 s LEU 335 Cb -0.19 -3.60 -0.05 0.00 -0.43 0.00 0.00 46.19 41.92 2gq3 s LEU 335 CO 0.35 -0.57 0.25 -0.04 -0.29 0.00 0.00 176.35 176.05 2gq3 s MET 336 N 0.42 3.99 0.52 1.98 -1.94 -1.26 -0.85 119.30 122.15 2gq3 s MET 336 Ca 0.60 -0.19 -0.05 0.00 -1.71 0.00 0.00 55.69 54.34 2gq3 s MET 336 Cb -0.36 -3.64 -0.01 0.00 2.01 0.00 0.00 34.83 32.83 2gq3 s MET 336 CO 0.35 -0.18 0.81 -0.06 -0.01 0.00 0.00 175.02 175.93 2gq3 s PHE 337 N 1.76 3.39 -0.08 -0.03 0.40 0.10 -4.60 117.98 118.92 2gq3 s PHE 337 Ca 0.10 0.65 0.04 0.00 -0.60 0.00 0.00 56.93 57.11 2gq3 s PHE 337 Cb -0.16 -2.47 0.00 0.00 0.51 0.00 0.00 43.02 40.91 2gq3 s PHE 337 CO 0.10 -0.50 -0.19 0.54 0.70 0.00 0.00 175.22 175.87 2gq3 s VAL 338 N -2.80 1.63 -0.42 -0.44 0.11 -0.48 -0.50 120.40 117.50 2gq3 s VAL 338 Ca 0.50 -0.79 -0.18 0.00 -2.93 0.00 0.00 61.98 58.58 2gq3 s VAL 338 Cb -0.10 -1.43 0.02 0.00 -1.53 0.00 0.00 36.38 33.34 2gq3 s VAL 338 CO 0.44 0.47 0.48 -0.60 -3.33 0.00 0.00 175.10 172.55 2gq3 s ARG 339 N 0.36 3.19 0.72 1.54 3.52 0.18 -1.43 118.95 127.03 2gq3 s ARG 339 Ca -0.14 -0.63 -0.11 0.00 -0.13 0.00 0.00 55.73 54.72 2gq3 s ARG 339 Cb -0.16 -3.95 0.02 0.00 -1.56 0.00 0.00 34.95 29.31 2gq3 s ARG 339 CO 0.06 -0.85 1.07 -0.80 -0.81 0.00 0.00 175.30 173.96 2gq3 s ASN 340 N 1.84 5.17 0.86 -2.12 0.02 -0.98 -0.75 114.94 118.98 2gq3 s ASN 340 Ca 0.14 1.55 -0.11 0.00 -1.02 0.00 0.00 52.86 53.43 2gq3 s ASN 340 Cb -0.16 -2.40 0.11 0.00 0.02 0.00 0.00 41.25 38.82 2gq3 s ASN 340 CO 0.15 -1.57 1.09 0.68 0.02 0.00 0.00 177.10 177.47 2gq3 s VAL 341 N -3.07 2.86 0.00 1.60 -7.23 -1.26 -4.20 120.40 109.10 2gq3 s VAL 341 Ca 0.59 0.28 0.00 0.00 -1.81 0.00 0.00 61.98 61.04 2gq3 s VAL 341 Cb -0.14 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 34.08 2gq3 s VAL 341 CO 0.55 -0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.58 2gq3 n GLY 342 N -1.01 -0.53 0.04 2.32 0.00 -1.26 -4.54 105.19 100.21 2gq3 n GLY 342 Ca 0.08 -1.68 0.11 0.00 0.00 0.00 0.00 46.02 44.53 2gq3 n GLY 342 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2gq3 n HIS 343 N -0.39 0.32 0.05 1.61 -0.00 -1.26 -3.75 115.22 111.80 2gq3 n HIS 343 Ca 0.00 0.11 -0.07 0.00 -0.00 0.00 0.00 57.72 57.76 2gq3 n HIS 343 Cb 0.00 -0.68 -0.05 0.00 -0.00 0.00 0.00 29.99 29.27 2gq3 n HIS 343 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2gq3 h LEU 344 N 0.00 -0.20-10.06 2.41 5.85 -1.93 -3.47 115.31 107.92 2gq3 h LEU 344 Ca 0.00 -0.19 -0.50 0.00 0.84 0.00 0.00 57.88 58.03 2gq3 h LEU 344 Cb 0.45 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2gq3 h LEU 344 CO 0.00 0.34 0.09 -0.04 -0.34 0.00 0.00 178.44 178.49 2gq3 s MET 345 N -2.72 3.92 0.32 1.25 -1.94 -1.26 -4.96 119.30 113.90 2gq3 s MET 345 Ca -0.08 0.58 0.07 0.00 -1.71 0.00 0.00 55.69 54.54 2gq3 s MET 345 Cb 0.00 -2.43 -0.02 0.00 2.01 0.00 0.00 34.83 34.39 2gq3 s MET 345 CO 0.28 0.11 0.37 0.95 -0.01 0.00 0.00 175.02 176.72 2gq3 s THR 346 N -2.09 4.01 0.01 2.05 -4.23 -1.26 -1.56 115.64 112.57 2gq3 s THR 346 Ca 0.53 -1.17 -0.03 0.00 -1.18 0.00 0.00 61.69 59.83 2gq3 s THR 346 Cb -0.10 -3.37 -0.01 0.00 1.34 0.00 0.00 72.50 70.36 2gq3 s THR 346 CO 0.22 -0.20 0.04 0.21 -0.54 0.00 0.00 174.62 174.35 2gq3 s ASN 347 N -4.06 0.15 0.00 3.99 3.84 -0.49 -4.75 114.94 113.62 2gq3 s ASN 347 Ca 0.41 -0.38 0.17 0.00 0.21 0.00 0.00 52.86 53.27 2gq3 s ASN 347 Cb -0.08 0.14 0.53 0.00 -0.55 0.00 0.00 41.25 41.29 2gq3 s ASN 347 CO 0.29 -0.33 1.41 -0.90 -2.79 0.00 0.00 177.10 174.77 2gq3 n ASP 348 N 1.53 2.03 -0.16 -4.21 3.85 -1.26 -3.00 116.55 115.33 2gq3 n ASP 348 Ca -0.23 -1.88 0.08 0.00 -0.71 0.00 0.00 54.79 52.05 2gq3 n ASP 348 Cb 0.55 -0.20 0.39 0.00 -1.35 0.00 0.00 41.12 40.52 2gq3 n ASP 348 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2gq3 h ALA 349 N 3.92 1.79 -3.80 2.12 0.00 -1.93 -3.39 119.26 117.97 2gq3 h ALA 349 Ca 0.00 -0.02 -0.40 0.00 0.00 0.00 0.00 54.91 54.50 2gq3 h ALA 349 Cb 0.54 -0.16 -0.31 0.00 0.00 0.00 0.00 17.79 17.87 2gq3 h ALA 349 CO 0.00 0.08 -0.78 0.42 0.00 0.00 0.00 179.25 178.97 2gq3 s ILE 350 N -5.60 0.65 0.21 0.00 1.01 -1.25 -0.45 121.20 115.78 2gq3 s ILE 350 Ca -0.09 -0.29 0.09 0.00 0.00 0.00 0.00 60.65 60.36 2gq3 s ILE 350 Cb 0.20 -0.59 -0.05 0.00 0.01 0.00 0.00 42.46 42.03 2gq3 s ILE 350 CO 0.77 0.21 -0.17 0.68 0.00 0.00 0.00 174.94 176.42 2gq3 s VAL 351 N 0.20 1.98 0.41 2.92 -7.23 -0.87 -1.19 120.40 116.63 2gq3 s VAL 351 Ca -0.03 -2.18 -0.04 0.00 -1.81 0.00 0.00 61.98 57.92 2gq3 s VAL 351 Cb -0.08 -2.06 0.09 0.00 0.56 0.00 0.00 36.38 34.89 2gq3 s VAL 351 CO 0.00 -0.45 0.56 -0.90 -0.31 0.00 0.00 175.10 174.00 2gq3 n ASP 352 N -0.24 0.34 -0.34 4.85 5.68 -0.18 -0.16 116.55 126.49 2gq3 n ASP 352 Ca -0.09 -1.38 0.21 0.00 -0.50 0.00 0.00 54.79 53.03 2gq3 n ASP 352 Cb 0.59 -0.40 0.44 0.00 -1.14 0.00 0.00 41.12 40.61 2gq3 n ASP 352 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2gq3 h THR 353 N -0.94 0.41 -0.10 2.12 2.02 -1.82 0.80 112.91 115.40 2gq3 h THR 353 Ca -0.18 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.85 2gq3 h THR 353 Cb 0.57 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2gq3 h THR 353 CO 0.16 0.08 0.00 0.47 0.37 0.00 0.00 175.52 176.60 2gq3 n ASP 354 N -4.96 0.55 -0.59 4.18 8.00 -1.26 -4.87 116.55 117.60 2gq3 n ASP 354 Ca 0.29 -2.00 -0.08 0.00 0.71 0.00 0.00 54.79 53.71 2gq3 n ASP 354 Cb 0.88 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.87 2gq3 n ASP 354 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gq3 n GLY 355 N 0.63 0.88 3.73 0.44 0.00 0.27 -5.01 105.19 106.14 2gq3 n GLY 355 Ca 0.03 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2gq3 n GLY 355 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gq3 s SER 356 N -2.47 7.01 0.52 1.61 0.01 -1.26 -4.72 113.70 114.41 2gq3 s SER 356 Ca 0.00 2.22 -0.19 0.00 1.31 0.00 0.00 55.95 59.29 2gq3 s SER 356 Cb 0.00 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.57 2gq3 s SER 356 CO 0.00 -0.47 1.08 -1.61 0.41 0.00 0.00 173.24 172.65 2gq3 s GLU 357 N 0.33 3.54 0.10 12.44 2.02 -1.26 -1.01 118.70 134.85 2gq3 s GLU 357 Ca 0.57 1.45 -0.15 0.00 0.02 0.00 0.00 54.97 56.85 2gq3 s GLU 357 Cb -0.33 -2.05 -0.07 0.00 0.10 0.00 0.00 34.13 31.79 2gq3 s GLU 357 CO 0.34 -0.66 0.52 0.08 0.02 0.00 0.00 175.26 175.56 2gq3 s VAL 358 N -1.95 4.87 0.16 2.63 1.01 -0.33 -4.76 120.40 122.02 2gq3 s VAL 358 Ca 0.69 0.91 -0.32 0.00 0.00 0.00 0.00 61.98 63.27 2gq3 s VAL 358 Cb -0.19 -3.77 -0.11 0.00 0.00 0.00 0.00 36.38 32.30 2gq3 s VAL 358 CO 0.25 0.39 1.79 0.49 0.00 0.00 0.00 175.10 178.02 2gq3 n PHE 359 N 1.24 2.68 -0.06 5.22 3.01 -1.26 -1.40 117.46 126.89 2gq3 n PHE 359 Ca -0.08 -0.06 -0.08 0.00 1.01 0.00 0.00 57.45 58.23 2gq3 n PHE 359 Cb 0.52 -2.71 0.08 0.00 -0.01 0.00 0.00 39.48 37.36 2gq3 n PHE 359 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2gq3 h GLU 360 N 7.73 0.72 0.00 -1.08 4.81 -1.58 -2.55 114.58 122.63 2gq3 h GLU 360 Ca -0.45 -0.33 -0.04 0.00 -0.13 0.00 0.00 59.36 58.41 2gq3 h GLU 360 Cb 1.21 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2gq3 h GLU 360 CO 0.95 0.94 -0.20 0.78 -0.73 0.00 0.00 179.01 180.75 2gq3 h GLY 361 N 0.97 0.00 0.58 1.92 0.00 -1.74 0.12 103.07 104.92 2gq3 h GLY 361 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 2gq3 h GLY 361 CO 0.07 0.00 -0.13 -2.22 0.00 0.00 0.00 176.54 174.26 2gq3 h ILE 362 N 0.00 1.42 -0.18 2.60 2.04 -1.79 -2.64 117.51 118.97 2gq3 h ILE 362 Ca -0.00 -1.46 0.04 0.00 1.00 0.00 0.00 64.86 64.43 2gq3 h ILE 362 Cb 0.39 2.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.68 2gq3 h ILE 362 CO 0.03 0.41 -0.08 0.24 0.00 0.00 0.00 178.15 178.75 2gq3 h MET 363 N -0.31 -0.05 -0.84 2.37 2.86 -1.33 -2.67 114.93 114.96 2gq3 h MET 363 Ca 0.00 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.75 2gq3 h MET 363 Cb 0.72 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.32 2gq3 h MET 363 CO 0.03 -0.03 0.48 -0.44 1.06 0.00 0.00 176.91 178.01 2gq3 h ASP 364 N -0.05 0.67 -0.09 1.22 3.32 -0.71 0.36 116.42 121.14 2gq3 h ASP 364 Ca 0.10 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 2gq3 h ASP 364 Cb 0.19 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 2gq3 h ASP 364 CO -0.21 0.37 0.04 0.00 -1.72 0.00 0.00 179.24 177.72 2gq3 h ALA 365 N 1.48 0.12 0.12 3.45 0.00 -1.14 0.53 119.26 123.83 2gq3 h ALA 365 Ca 0.42 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.27 2gq3 h ALA 365 Cb 0.42 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2gq3 h ALA 365 CO -0.27 -0.31 -0.30 -0.07 0.00 0.00 0.00 179.25 178.30 2gq3 h LEU 366 N 0.02 -0.85 0.01 0.00 3.38 -1.20 0.89 115.31 117.56 2gq3 h LEU 366 Ca 0.03 0.10 -0.23 0.00 0.09 0.00 0.00 57.88 57.87 2gq3 h LEU 366 Cb 0.13 0.32 0.02 0.00 0.09 0.00 0.00 40.66 41.22 2gq3 h LEU 366 CO -0.00 -0.39 -0.90 -0.26 0.09 0.00 0.00 178.44 176.98 2gq3 h PHE 367 N -0.52 0.90 -0.08 1.13 0.05 -0.87 -0.20 116.94 117.34 2gq3 h PHE 367 Ca 0.03 -0.49 -0.23 0.00 3.82 0.00 0.00 57.97 61.09 2gq3 h PHE 367 Cb 0.55 -0.10 0.01 0.00 2.00 0.00 0.00 35.95 38.41 2gq3 h PHE 367 CO -0.27 1.33 -0.86 1.79 -0.18 0.00 0.00 178.31 180.12 2gq3 h THR 368 N 0.21 1.29 -0.27 -1.55 1.35 -0.97 -1.74 112.91 111.23 2gq3 h THR 368 Ca -0.11 -2.07 0.06 0.00 -0.55 0.00 0.00 66.41 63.73 2gq3 h THR 368 Cb 1.58 2.18 -0.08 0.00 -1.73 0.00 0.00 68.15 70.10 2gq3 h THR 368 CO 0.18 0.65 -0.43 1.23 -0.25 0.00 0.00 175.52 176.90 2gq3 h GLY 369 N 0.43 -0.64 0.26 5.82 0.00 -0.92 -1.29 103.07 106.72 2gq3 h GLY 369 Ca -0.08 0.54 0.07 0.00 0.00 0.00 0.00 47.33 47.85 2gq3 h GLY 369 CO 0.17 -0.20 -0.11 -2.00 0.00 0.00 0.00 176.54 174.40 2gq3 h LEU 370 N -0.41 -0.39 -0.76 3.11 5.85 -0.93 -2.28 115.31 119.49 2gq3 h LEU 370 Ca 0.10 0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.81 2gq3 h LEU 370 Cb 0.60 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2gq3 h LEU 370 CO -0.49 -0.14 -0.49 0.40 -0.34 0.00 0.00 178.44 177.39 2gq3 h ILE 371 N -0.04 1.33 -0.01 4.05 2.04 -1.20 -2.70 117.51 120.99 2gq3 h ILE 371 Ca 0.17 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.33 2gq3 h ILE 371 Cb 0.29 1.77 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2gq3 h ILE 371 CO -0.37 0.51 0.07 0.00 0.00 0.00 0.00 178.15 178.36 2gq3 h ALA 372 N 1.23 1.13 -0.88 1.87 0.00 -0.62 -2.35 119.26 119.64 2gq3 h ALA 372 Ca 0.01 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.01 2gq3 h ALA 372 Cb 0.95 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 2gq3 h ALA 372 CO 0.08 -0.07 0.57 0.82 0.00 0.00 0.00 179.25 180.65 2gq3 h ILE 373 N 0.00 0.99 0.00 0.00 2.04 -1.47 -1.87 117.51 117.20 2gq3 h ILE 373 Ca 0.00 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 2gq3 h ILE 373 Cb 0.14 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 2gq3 h ILE 373 CO -0.00 0.16 -0.00 0.45 0.00 0.00 0.00 178.15 178.76 2gq3 h HIS 374 N 0.89 0.00 -0.53 1.37 3.86 -1.63 -1.14 115.15 117.97 2gq3 h HIS 374 Ca 0.40 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.61 2gq3 h HIS 374 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 2gq3 h HIS 374 CO -0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 2gq3 n GLY 375 N -1.37 1.77 0.28 2.45 0.00 -0.70 -3.41 105.19 104.22 2gq3 n GLY 375 Ca -0.03 -0.62 0.11 0.00 0.00 0.00 0.00 46.02 45.48 2gq3 n GLY 375 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gq3 n LEU 376 N 1.01 1.51 -3.90 0.99 4.77 -0.43 0.14 117.00 121.08 2gq3 n LEU 376 Ca 0.19 -0.57 -0.09 0.00 -0.03 0.00 0.00 56.01 55.50 2gq3 n LEU 376 Cb 0.55 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 2gq3 n LEU 376 CO 0.15 0.30 0.16 -1.59 -1.33 0.00 0.00 177.39 175.08 2gq3 s LYS 377 N -2.67 1.38 -0.15 3.23 0.00 -1.22 -4.90 119.74 115.41 2gq3 s LYS 377 Ca 0.15 -1.09 -0.01 0.00 0.00 0.00 0.00 55.97 55.02 2gq3 s LYS 377 Cb 0.18 0.46 -0.02 0.00 0.00 0.00 0.00 37.83 38.45 2gq3 s LYS 377 CO 0.67 -0.56 -0.10 0.00 0.00 0.00 0.00 175.35 175.35 2gq3 s ALA 378 N -3.95 2.71 0.15 0.59 0.00 -1.26 -4.64 121.76 115.36 2gq3 s ALA 378 Ca 0.16 -0.93 -0.24 0.00 0.00 0.00 0.00 51.96 50.96 2gq3 s ALA 378 Cb 0.00 -1.35 0.08 0.00 0.00 0.00 0.00 23.12 21.85 2gq3 s ALA 378 CO 0.02 0.12 1.05 -1.54 0.00 0.00 0.00 175.76 175.41 2gq3 s SER 379 N 0.56 -0.04 0.07 0.00 1.04 -0.84 -4.95 113.70 109.54 2gq3 s SER 379 Ca -0.07 -0.55 -0.22 0.00 0.48 0.00 0.00 55.95 55.60 2gq3 s SER 379 Cb -0.15 0.46 -0.12 0.00 0.10 0.00 0.00 66.02 66.30 2gq3 s SER 379 CO 0.03 -0.89 1.55 0.44 0.98 0.00 0.00 173.24 175.36 2gq3 h ASP 380 N 2.00 0.19 1.00 7.02 3.45 -1.99 0.44 116.42 128.53 2gq3 h ASP 380 Ca -0.27 -0.23 -0.16 0.00 0.43 0.00 0.00 57.03 56.80 2gq3 h ASP 380 Cb 1.22 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.92 2gq3 h ASP 380 CO 0.33 0.36 -0.78 1.62 -1.57 0.00 0.00 179.24 179.20 2gq3 h VAL 381 N -0.00 1.44 -0.00 -1.35 3.04 -1.97 -3.02 116.25 114.38 2gq3 h VAL 381 Ca 0.04 -2.78 0.00 0.00 -1.01 0.00 0.00 66.70 62.95 2gq3 h VAL 381 Cb 0.25 2.55 0.00 0.00 -2.01 0.00 0.00 31.29 32.08 2gq3 h VAL 381 CO 0.00 0.76 -0.32 0.59 -1.01 0.00 0.00 177.57 177.59 2gq3 n ASN 382 N -3.43 0.39 -0.10 3.17 3.02 -1.17 -4.77 115.26 112.37 2gq3 n ASN 382 Ca 0.00 -0.11 0.01 0.00 -0.03 0.00 0.00 54.58 54.45 2gq3 n ASN 382 Cb 0.80 0.02 -0.01 0.00 -0.61 0.00 0.00 39.78 39.98 2gq3 n ASN 382 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gq3 n GLY 383 N 1.47 -2.56 0.27 7.41 0.00 0.15 -4.25 105.19 107.69 2gq3 n GLY 383 Ca 0.07 -1.43 0.16 0.00 0.00 0.00 0.00 46.02 44.82 2gq3 n GLY 383 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gq3 h PRO 384 N -0.10 0.00 -6.77 1.61 0.13 -1.65 -2.23 132.00 122.99 2gq3 h PRO 384 Ca -0.01 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.61 2gq3 h PRO 384 Cb 0.10 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.24 2gq3 h PRO 384 CO 0.01 0.03 0.47 -1.17 -0.23 0.00 0.00 178.00 177.10 2gq3 s LEU 385 N -6.26 4.55 -0.15 1.56 0.20 -1.23 -4.64 118.68 112.71 2gq3 s LEU 385 Ca 0.01 2.21 0.01 0.00 0.69 0.00 0.00 54.13 57.06 2gq3 s LEU 385 Cb 0.09 -3.62 0.02 0.00 -0.43 0.00 0.00 46.19 42.25 2gq3 s LEU 385 CO 0.56 -0.13 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.67 2gq3 s ILE 386 N -0.98 1.89 -0.15 6.68 1.01 -1.26 -4.42 121.20 123.98 2gq3 s ILE 386 Ca 0.45 -0.85 0.18 0.00 0.00 0.00 0.00 60.65 60.43 2gq3 s ILE 386 Cb -0.31 -1.71 -0.10 0.00 0.01 0.00 0.00 42.46 40.35 2gq3 s ILE 386 CO 0.39 0.51 0.88 -1.13 0.00 0.00 0.00 174.94 175.59 2gq3 h ASN 387 N 7.72 0.00 -3.56 3.58 -1.24 0.80 -3.46 115.58 119.42 2gq3 h ASN 387 Ca -0.39 0.00 -0.31 0.00 0.71 0.00 0.00 56.30 56.31 2gq3 h ASN 387 Cb 1.16 0.00 -0.33 0.00 0.73 0.00 0.00 38.32 39.88 2gq3 h ASN 387 CO 0.57 0.45 -0.74 -0.55 -1.29 0.00 0.00 177.43 175.88 2gq3 s SER 388 N -5.70 0.24 0.44 1.15 0.15 -1.24 -4.63 113.70 104.10 2gq3 s SER 388 Ca -0.02 -0.00 0.26 0.00 0.70 0.00 0.00 55.95 56.88 2gq3 s SER 388 Cb 0.09 -0.13 0.61 0.00 -1.71 0.00 0.00 66.02 64.88 2gq3 s SER 388 CO 0.81 -0.09 1.71 0.03 1.20 0.00 0.00 173.24 176.89 2gq3 h ARG 389 N 7.07 0.00 -0.03 5.44 3.08 -1.94 -3.26 114.38 124.74 2gq3 h ARG 389 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.64 2gq3 h ARG 389 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2gq3 h ARG 389 CO 0.48 0.00 -0.07 0.25 -1.07 0.00 0.00 179.97 179.56 2gq3 n THR 390 N -3.01 0.00 -0.89 2.04 -2.24 -1.26 -4.98 114.28 103.94 2gq3 n THR 390 Ca 0.03 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2gq3 n THR 390 Cb 0.47 1.45 0.00 0.00 -2.10 0.00 0.00 70.33 70.15 2gq3 n THR 390 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gq3 n GLY 391 N 1.33 0.48 3.89 3.38 0.00 -1.23 -4.91 105.19 108.13 2gq3 n GLY 391 Ca 0.13 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 2gq3 n GLY 391 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gq3 s SER 392 N -2.64 6.53 -0.07 1.61 0.01 -1.26 -4.91 113.70 112.98 2gq3 s SER 392 Ca 0.00 0.74 0.01 0.00 1.31 0.00 0.00 55.95 58.01 2gq3 s SER 392 Cb 0.00 -2.15 -0.03 0.00 0.21 0.00 0.00 66.02 64.05 2gq3 s SER 392 CO 0.00 -0.05 -0.09 -0.63 0.41 0.00 0.00 173.24 172.88 2gq3 s ILE 393 N -1.81 3.50 -0.23 1.44 1.01 -0.67 -4.71 121.20 119.73 2gq3 s ILE 393 Ca 0.44 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.55 2gq3 s ILE 393 Cb -0.11 -2.42 0.04 0.00 0.01 0.00 0.00 42.46 39.97 2gq3 s ILE 393 CO 0.24 0.59 -0.12 -0.31 0.00 0.00 0.00 174.94 175.34 2gq3 s TYR 394 N -0.70 3.04 -0.14 3.97 1.51 -1.26 -0.38 117.35 123.39 2gq3 s TYR 394 Ca 0.11 -1.85 0.02 0.00 -1.01 0.00 0.00 57.07 54.34 2gq3 s TYR 394 Cb -0.11 -1.97 0.01 0.00 -0.11 0.00 0.00 41.96 39.78 2gq3 s TYR 394 CO 0.01 -0.81 -0.19 0.42 -1.11 0.00 0.00 175.55 173.88 2gq3 s ILE 395 N 1.24 1.83 -0.12 2.71 1.01 -0.79 -1.38 121.20 125.70 2gq3 s ILE 395 Ca -0.01 -0.83 -0.27 0.00 0.00 0.00 0.00 60.65 59.54 2gq3 s ILE 395 Cb -0.17 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 2gq3 s ILE 395 CO -0.07 0.50 0.88 -0.69 0.00 0.00 0.00 174.94 175.56 2gq3 s VAL 396 N 1.03 4.87 -0.41 2.92 1.01 -0.52 -0.32 120.40 128.99 2gq3 s VAL 396 Ca -0.03 1.78 -0.09 0.00 0.00 0.00 0.00 61.98 63.63 2gq3 s VAL 396 Cb -0.15 -4.20 0.07 0.00 0.00 0.00 0.00 36.38 32.11 2gq3 s VAL 396 CO -0.05 0.06 0.25 -0.75 0.00 0.00 0.00 175.10 174.62 2gq3 s LYS 397 N 1.80 2.63 0.73 2.72 2.47 0.58 -2.31 119.74 128.38 2gq3 s LYS 397 Ca 0.43 -1.41 -0.07 0.00 -1.56 0.00 0.00 55.97 53.36 2gq3 s LYS 397 Cb -0.18 -3.77 0.08 0.00 -1.46 0.00 0.00 37.83 32.50 2gq3 s LYS 397 CO 0.16 -0.92 1.05 -1.25 0.16 0.00 0.00 175.35 174.56 2gq3 s PRO 398 N 1.44 2.01 -1.36 4.03 0.04 -1.26 -2.92 135.00 136.98 2gq3 s PRO 398 Ca 0.03 -0.31 -0.08 0.00 0.04 0.00 0.00 61.00 60.68 2gq3 s PRO 398 Cb -0.22 -2.14 0.06 0.00 0.04 0.00 0.00 34.50 32.23 2gq3 s PRO 398 CO 0.03 -1.38 0.53 1.63 0.04 0.00 0.00 177.00 177.85 2gq3 n LYS 399 N -3.01 -3.84 -2.98 4.56 5.02 -1.26 -4.25 118.16 112.40 2gq3 n LYS 399 Ca 0.09 0.59 -0.37 0.00 -2.02 0.00 0.00 58.31 56.60 2gq3 n LYS 399 Cb 0.60 -5.34 -0.06 0.00 -0.02 0.00 0.00 35.03 30.21 2gq3 n LYS 399 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2gq3 s MET 400 N -5.95 4.39 -0.63 1.97 -1.94 -1.26 -4.74 119.30 111.14 2gq3 s MET 400 Ca 0.38 1.05 -0.02 0.00 -1.71 0.00 0.00 55.69 55.39 2gq3 s MET 400 Cb -0.19 -2.87 0.16 0.00 2.01 0.00 0.00 34.83 33.94 2gq3 s MET 400 CO 0.47 0.36 0.45 -1.01 -0.01 0.00 0.00 175.02 175.28 2gq3 s HIS 401 N -1.54 3.40 0.00 -0.03 3.76 -1.26 -4.45 115.29 115.17 2gq3 s HIS 401 Ca 0.45 -2.76 0.00 0.00 -0.15 0.00 0.00 55.06 52.60 2gq3 s HIS 401 Cb -0.18 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.33 2gq3 s HIS 401 CO 0.22 -0.83 0.00 0.41 -0.85 0.00 0.00 174.74 173.69 2gq3 n GLY 402 N 3.40 0.25 0.25 -2.22 0.00 -1.23 -4.39 105.19 101.24 2gq3 n GLY 402 Ca 0.08 -1.81 -0.02 0.00 0.00 0.00 0.00 46.02 44.28 2gq3 n GLY 402 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gq3 h PRO 403 N 0.00 0.47 -0.79 1.61 0.13 -1.85 -2.79 132.00 128.79 2gq3 h PRO 403 Ca 0.00 -0.15 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 2gq3 h PRO 403 Cb 0.00 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.05 2gq3 h PRO 403 CO 0.00 0.62 0.45 0.00 -0.23 0.00 0.00 178.00 178.84 2gq3 h ALA 404 N 1.40 1.30 -0.01 -0.56 0.00 -1.95 0.19 119.26 119.65 2gq3 h ALA 404 Ca 0.08 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2gq3 h ALA 404 Cb 0.53 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2gq3 h ALA 404 CO 0.03 0.58 -0.54 0.93 0.00 0.00 0.00 179.25 180.25 2gq3 h GLU 405 N 1.09 0.01 -0.28 0.00 5.08 -1.70 0.55 114.58 119.33 2gq3 h GLU 405 Ca 0.28 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.49 2gq3 h GLU 405 Cb -0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2gq3 h GLU 405 CO -0.05 0.55 -0.36 0.28 -1.00 0.00 0.00 179.01 178.43 2gq3 h VAL 406 N 0.01 1.30 -0.61 3.13 2.07 -1.11 -2.34 116.25 118.71 2gq3 h VAL 406 Ca -0.00 -1.54 -0.07 0.00 0.82 0.00 0.00 66.70 65.90 2gq3 h VAL 406 Cb 0.96 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.33 2gq3 h VAL 406 CO 0.07 0.50 0.09 0.00 0.02 0.00 0.00 177.57 178.25 2gq3 h ALA 407 N 0.69 1.02 -0.59 1.67 0.00 -0.27 -1.73 119.26 120.04 2gq3 h ALA 407 Ca 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2gq3 h ALA 407 Cb 0.94 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2gq3 h ALA 407 CO 0.09 0.62 0.25 0.35 0.00 0.00 0.00 179.25 180.56 2gq3 h PHE 408 N 0.93 0.89 -0.87 0.00 3.57 -0.84 -0.45 116.94 120.17 2gq3 h PHE 408 Ca 0.19 -0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.73 2gq3 h PHE 408 Cb 0.41 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 38.82 2gq3 h PHE 408 CO 0.03 0.71 0.56 1.15 -2.23 0.00 0.00 178.31 178.53 2gq3 h THR 409 N 0.82 0.94 0.06 4.41 2.02 -0.91 0.52 112.91 120.78 2gq3 h THR 409 Ca 0.20 -0.28 -0.26 0.00 0.77 0.00 0.00 66.41 66.84 2gq3 h THR 409 Cb 0.18 0.05 0.01 0.00 -1.74 0.00 0.00 68.15 66.66 2gq3 h THR 409 CO -0.02 0.15 -1.11 0.00 0.37 0.00 0.00 175.52 174.91 2gq3 h GLU 411 N 0.25 0.63 -0.21 0.00 4.57 -0.71 -0.94 114.58 118.17 2gq3 h GLU 411 Ca -0.13 -0.12 0.06 0.00 -1.18 0.00 0.00 59.36 57.98 2gq3 h GLU 411 Cb 1.77 -0.10 -0.07 0.00 -0.16 0.00 0.00 28.75 30.19 2gq3 h GLU 411 CO 0.20 0.59 -0.34 1.25 -1.18 0.00 0.00 179.01 179.54 2gq3 h LEU 412 N 0.54 -1.07 -0.39 1.64 5.85 -0.58 -0.55 115.31 120.76 2gq3 h LEU 412 Ca 0.14 0.16 0.06 0.00 0.84 0.00 0.00 57.88 59.08 2gq3 h LEU 412 Cb 0.20 0.46 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 2gq3 h LEU 412 CO -0.01 -0.36 0.08 -0.26 -0.34 0.00 0.00 178.44 177.55 2gq3 h PHE 413 N -0.37 0.14 -0.52 1.25 -1.00 -0.93 0.75 116.94 116.25 2gq3 h PHE 413 Ca 0.11 0.02 0.06 0.00 2.81 0.00 0.00 57.97 60.98 2gq3 h PHE 413 Cb 0.55 -0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.06 2gq3 h PHE 413 CO -0.46 0.02 0.22 1.03 -1.61 0.00 0.00 178.31 177.52 2gq3 h SER 414 N 0.21 0.28 -0.67 2.17 0.87 -0.98 0.26 113.55 115.68 2gq3 h SER 414 Ca 0.18 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.74 2gq3 h SER 414 Cb 0.21 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 2gq3 h SER 414 CO -0.24 0.19 0.20 0.03 -0.53 0.00 0.00 176.83 176.48 2gq3 h ARG 415 N 0.43 1.04 -0.28 2.24 2.47 -0.36 -2.85 114.38 117.08 2gq3 h ARG 415 Ca 0.25 -0.23 -0.05 0.00 -1.26 0.00 0.00 59.98 58.69 2gq3 h ARG 415 Cb 0.22 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 2gq3 h ARG 415 CO -0.22 0.91 -0.01 0.28 0.56 0.00 0.00 179.97 181.49 2gq3 h VAL 416 N 0.97 1.26 -0.99 2.04 2.07 -0.53 -2.54 116.25 118.53 2gq3 h VAL 416 Ca 0.21 -0.96 0.22 0.00 0.82 0.00 0.00 66.70 66.99 2gq3 h VAL 416 Cb 0.31 1.34 -0.10 0.00 -1.52 0.00 0.00 31.29 31.32 2gq3 h VAL 416 CO -0.01 0.31 0.62 -0.33 0.02 0.00 0.00 177.57 178.18 2gq3 h GLU 417 N 0.28 0.58 -0.36 1.57 5.08 -0.33 -0.96 114.58 120.44 2gq3 h GLU 417 Ca 0.08 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.24 2gq3 h GLU 417 Cb 0.45 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2gq3 h GLU 417 CO 0.02 0.38 -0.42 -0.44 -1.00 0.00 0.00 179.01 177.55 2gq3 h ASP 418 N 0.60 0.99 -0.30 1.42 3.45 -1.24 0.61 116.42 121.95 2gq3 h ASP 418 Ca 0.57 -0.47 -0.03 0.00 0.43 0.00 0.00 57.03 57.53 2gq3 h ASP 418 Cb 1.12 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 39.59 2gq3 h ASP 418 CO -0.34 1.27 0.10 0.58 -1.57 0.00 0.00 179.24 179.29 2gq3 h VAL 419 N 0.74 1.16 -0.01 -1.35 2.07 -1.04 -2.99 116.25 114.84 2gq3 h VAL 419 Ca 0.05 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2gq3 h VAL 419 Cb 1.02 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2gq3 h VAL 419 CO 0.10 0.21 -0.31 0.18 0.02 0.00 0.00 177.57 177.77 2gq3 n LEU 420 N -4.35 1.47 -2.37 2.57 4.32 -0.41 -4.77 117.00 113.46 2gq3 n LEU 420 Ca 0.02 -0.48 -0.16 0.00 -0.02 0.00 0.00 56.01 55.37 2gq3 n LEU 420 Cb 0.18 -0.07 0.04 0.00 -1.62 0.00 0.00 43.42 41.95 2gq3 n LEU 420 CO 0.38 0.27 0.07 0.61 -1.22 0.00 0.00 177.39 177.49 2gq3 n GLY 421 N 1.36 -0.14 3.80 -0.72 0.00 -0.57 -4.94 105.19 103.99 2gq3 n GLY 421 Ca 0.12 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 2gq3 n GLY 421 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gq3 s LEU 422 N -5.06 3.85 0.63 0.99 1.43 0.10 -5.04 118.68 115.57 2gq3 s LEU 422 Ca 0.29 -0.06 -0.18 0.00 -1.03 0.00 0.00 54.13 53.15 2gq3 s LEU 422 Cb -0.13 -2.48 -0.02 0.00 0.03 0.00 0.00 46.19 43.59 2gq3 s LEU 422 CO 0.36 0.11 1.23 -2.84 0.23 0.00 0.00 176.35 175.44 2gq3 s PRO 423 N -2.83 2.76 0.37 1.29 0.02 -1.26 -4.52 135.00 130.82 2gq3 s PRO 423 Ca 0.31 1.88 -0.27 0.00 0.02 0.00 0.00 61.00 62.94 2gq3 s PRO 423 Cb -0.11 -1.89 -0.12 0.00 0.02 0.00 0.00 34.50 32.40 2gq3 s PRO 423 CO 0.23 -1.39 1.17 1.04 -0.33 0.00 0.00 177.00 177.73 2gq3 n GLN 424 N -1.82 1.78 -1.34 5.54 1.13 -1.26 -2.40 117.38 119.00 2gq3 n GLN 424 Ca 0.14 0.63 -0.12 0.00 -1.94 0.00 0.00 57.00 55.71 2gq3 n GLN 424 Cb 0.49 -2.19 -0.05 0.00 0.11 0.00 0.00 30.24 28.60 2gq3 n GLN 424 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2gq3 n ASN 425 N 0.67 -4.53 -0.10 1.08 3.02 -1.26 -4.92 115.26 109.22 2gq3 n ASN 425 Ca 0.07 0.29 -0.11 0.00 -0.03 0.00 0.00 54.58 54.81 2gq3 n ASN 425 Cb 0.37 -3.07 -0.03 0.00 -0.61 0.00 0.00 39.78 36.44 2gq3 n ASN 425 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 2gq3 h THR 426 N 0.00 1.24 -3.18 3.41 2.02 -1.83 -3.41 112.91 111.16 2gq3 h THR 426 Ca -0.24 -0.83 -0.55 0.00 0.77 0.00 0.00 66.41 65.56 2gq3 h THR 426 Cb 0.81 1.18 -0.07 0.00 -1.74 0.00 0.00 68.15 68.33 2gq3 h THR 426 CO 0.36 0.27 1.00 -0.04 0.37 0.00 0.00 175.52 177.48 2gq3 s MET 427 N -5.15 3.50 0.37 6.66 -1.94 -1.26 -1.67 119.30 119.81 2gq3 s MET 427 Ca -0.13 0.33 -0.13 0.00 -1.71 0.00 0.00 55.69 54.05 2gq3 s MET 427 Cb 0.09 -4.02 -0.08 0.00 2.01 0.00 0.00 34.83 32.83 2gq3 s MET 427 CO 0.75 -1.70 0.76 0.15 -0.01 0.00 0.00 175.02 174.98 2gq3 s LYS 428 N 5.01 3.88 -0.15 2.03 -0.14 0.49 -4.93 119.74 125.93 2gq3 s LYS 428 Ca 0.45 0.58 0.01 0.00 -1.36 0.00 0.00 55.97 55.65 2gq3 s LYS 428 Cb -0.08 -2.40 0.00 0.00 -1.68 0.00 0.00 37.83 33.67 2gq3 s LYS 428 CO 0.26 0.04 -0.17 -1.50 -0.76 0.00 0.00 175.35 173.22 2gq3 s ILE 429 N -2.21 2.51 -0.36 2.17 2.07 0.23 -1.88 121.20 123.72 2gq3 s ILE 429 Ca 0.53 -0.83 -0.15 0.00 -1.41 0.00 0.00 60.65 58.80 2gq3 s ILE 429 Cb -0.10 -2.04 -0.01 0.00 0.13 0.00 0.00 42.46 40.44 2gq3 s ILE 429 CO 0.25 0.52 0.32 -0.83 -1.91 0.00 0.00 174.94 173.29 2gq3 s GLY 430 N 0.80 1.94 -0.32 1.50 0.00 0.57 -0.81 107.32 110.99 2gq3 s GLY 430 Ca -0.06 -1.37 -0.22 0.00 0.00 0.00 0.00 44.72 43.07 2gq3 s GLY 430 CO -0.00 0.92 0.71 -0.42 0.00 0.00 0.00 173.10 174.31 2gq3 s ILE 431 N 1.88 4.85 0.07 0.90 1.01 -0.00 -0.30 121.20 129.61 2gq3 s ILE 431 Ca 0.09 0.91 -0.30 0.00 0.00 0.00 0.00 60.65 61.35 2gq3 s ILE 431 Cb -0.17 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 2gq3 s ILE 431 CO 0.11 -0.25 1.14 -0.04 0.00 0.00 0.00 174.94 175.89 2gq3 s MET 432 N 2.82 4.49 -0.75 2.79 -1.94 -1.15 -1.96 119.30 123.59 2gq3 s MET 432 Ca 0.28 1.69 -0.15 0.00 -1.71 0.00 0.00 55.69 55.81 2gq3 s MET 432 Cb -0.14 -3.36 0.20 0.00 2.01 0.00 0.00 34.83 33.54 2gq3 s MET 432 CO 0.13 -0.16 0.70 0.34 -0.01 0.00 0.00 175.02 176.02 2gq3 s ASP 433 N 0.84 6.61 0.00 3.03 3.68 0.16 -4.59 116.67 126.40 2gq3 s ASP 433 Ca 0.56 -2.46 0.00 0.00 2.13 0.00 0.00 52.55 52.78 2gq3 s ASP 433 Cb -0.28 -2.21 0.00 0.00 -1.45 0.00 0.00 42.92 38.98 2gq3 s ASP 433 CO 0.30 -0.65 0.68 -1.84 0.13 0.00 0.00 175.17 173.79 2gq3 n GLU 434 N 4.30 0.00 -3.96 4.34 0.28 -1.26 -1.73 120.64 122.62 2gq3 n GLU 434 Ca 0.07 -0.51 -0.10 0.00 -0.16 0.00 0.00 57.16 56.46 2gq3 n GLU 434 Cb 0.45 -0.28 -0.12 0.00 1.43 0.00 0.00 31.44 32.92 2gq3 n GLU 434 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2gq3 s GLU 435 N 0.00 0.24 0.24 3.44 0.41 -1.26 -2.37 118.70 119.40 2gq3 s GLU 435 Ca 0.00 -0.46 -0.03 0.00 -0.41 0.00 0.00 54.97 54.07 2gq3 s GLU 435 Cb 0.00 0.07 0.27 0.00 -1.78 0.00 0.00 34.13 32.68 2gq3 s GLU 435 CO 0.00 -0.03 1.70 -0.09 -0.49 0.00 0.00 175.26 176.35 2gq3 h ARG 436 N 5.02 0.78 0.00 1.61 2.43 -1.89 -2.13 114.38 120.20 2gq3 h ARG 436 Ca -0.30 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 2gq3 h ARG 436 Cb 1.21 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2gq3 h ARG 436 CO 0.43 0.86 0.00 -0.09 -1.51 0.00 0.00 179.97 179.66 2gq3 h ARG 437 N 0.71 0.00 0.02 0.20 2.43 -1.93 -2.03 114.38 113.78 2gq3 h ARG 437 Ca 0.12 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 2gq3 h ARG 437 Cb 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2gq3 h ARG 437 CO 0.04 0.00 -0.20 1.15 -1.51 0.00 0.00 179.97 179.45 2gq3 h THR 438 N 0.00 1.71 -0.45 0.20 2.02 -1.64 -3.26 112.91 111.50 2gq3 h THR 438 Ca 0.00 -2.38 0.09 0.00 0.77 0.00 0.00 66.41 64.89 2gq3 h THR 438 Cb 0.40 3.32 -0.08 0.00 -1.74 0.00 0.00 68.15 70.04 2gq3 h THR 438 CO 0.00 0.62 -0.09 0.74 0.37 0.00 0.00 175.52 177.16 2gq3 h THR 439 N -0.89 0.57 -0.00 3.16 2.02 -0.99 -0.89 112.91 115.89 2gq3 h THR 439 Ca -0.04 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2gq3 h THR 439 Cb 1.13 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2gq3 h THR 439 CO 0.02 0.00 -0.04 1.33 0.37 0.00 0.00 175.52 177.21 2gq3 n VAL 440 N -5.31 0.00 -2.30 3.16 0.24 -0.80 -2.51 118.33 110.80 2gq3 n VAL 440 Ca 0.04 -0.04 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 2gq3 n VAL 440 Cb 0.24 -0.29 0.06 0.00 -1.47 0.00 0.00 33.84 32.38 2gq3 n VAL 440 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2gq3 n ASN 441 N -0.97 2.77 -0.07 -1.34 3.02 -0.91 -4.80 115.26 112.96 2gq3 n ASN 441 Ca 0.18 -2.95 -0.06 0.00 -0.03 0.00 0.00 54.58 51.72 2gq3 n ASN 441 Cb 0.22 -0.41 0.12 0.00 -0.61 0.00 0.00 39.78 39.10 2gq3 n ASN 441 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2gq3 h LEU 442 N 1.99 0.72 -0.58 3.41 5.85 -0.87 -1.99 115.31 123.83 2gq3 h LEU 442 Ca 0.06 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 2gq3 h LEU 442 Cb 1.42 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 2gq3 h LEU 442 CO 0.36 0.91 0.01 0.50 -0.34 0.00 0.00 178.44 179.88 2gq3 h LYS 443 N 0.63 1.02 -0.42 1.25 3.64 -1.87 -1.28 116.57 119.53 2gq3 h LYS 443 Ca 0.09 -0.32 -0.07 0.00 -1.27 0.00 0.00 60.65 59.08 2gq3 h LYS 443 Cb 0.69 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 2gq3 h LYS 443 CO 0.05 1.00 -0.02 0.00 -2.27 0.00 0.00 179.45 178.22 2gq3 h ALA 444 N 0.98 1.17 -0.28 5.00 0.00 -1.85 -0.59 119.26 123.68 2gq3 h ALA 444 Ca 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2gq3 h ALA 444 Cb 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2gq3 h ALA 444 CO 0.03 0.54 0.12 0.00 0.00 0.00 0.00 179.25 179.94 2gq3 h ILE 446 N 0.31 0.76 -0.61 0.00 2.04 -1.19 -2.87 117.51 115.96 2gq3 h ILE 446 Ca 0.10 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.08 2gq3 h ILE 446 Cb 0.15 0.76 -0.10 0.00 -0.74 0.00 0.00 36.82 36.89 2gq3 h ILE 446 CO -0.01 0.00 0.07 0.50 0.00 0.00 0.00 178.15 178.71 2gq3 h LYS 447 N -0.17 0.18 -0.10 2.37 3.64 -0.97 -0.50 116.57 121.02 2gq3 h LYS 447 Ca 0.04 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2gq3 h LYS 447 Cb 0.21 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2gq3 h LYS 447 CO -0.10 0.12 0.14 0.00 -2.27 0.00 0.00 179.45 177.34 2gq3 h ALA 448 N 1.52 1.60 -0.20 5.00 0.00 -0.98 -0.88 119.26 125.32 2gq3 h ALA 448 Ca 0.32 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 2gq3 h ALA 448 Cb 0.51 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 2gq3 h ALA 448 CO -0.47 -0.19 -0.28 0.00 0.00 0.00 0.00 179.25 178.31 2gq3 n ALA 449 N -2.26 4.07 0.29 0.00 0.00 -0.27 -4.65 120.51 117.68 2gq3 n ALA 449 Ca -0.00 -3.24 0.12 0.00 0.00 0.00 0.00 53.44 50.32 2gq3 n ALA 449 Cb 0.24 -0.56 0.57 0.00 0.00 0.00 0.00 19.45 19.70 2gq3 n ALA 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gq3 h ALA 450 N 1.03 1.00 -0.17 0.00 0.00 -0.33 0.02 119.26 120.80 2gq3 h ALA 450 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2gq3 h ALA 450 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2gq3 h ALA 450 CO 0.23 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.08 2gq3 n ASP 451 N -2.32 2.50 0.00 0.00 5.75 -1.26 -0.22 116.55 120.99 2gq3 n ASP 451 Ca 0.00 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 2gq3 n ASP 451 Cb 0.15 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 2gq3 n ASP 451 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2gq3 n ARG 452 N 0.73 3.19 -2.53 0.11 1.74 -0.14 -4.39 116.66 115.37 2gq3 n ARG 452 Ca 0.10 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.76 2gq3 n ARG 452 Cb 0.38 -0.58 -0.03 0.00 -1.02 0.00 0.00 32.46 31.21 2gq3 n ARG 452 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2gq3 s VAL 453 N -0.94 4.24 -0.31 1.55 0.11 -0.44 -0.60 120.40 124.01 2gq3 s VAL 453 Ca 0.00 1.68 0.04 0.00 -2.93 0.00 0.00 61.98 60.76 2gq3 s VAL 453 Cb 0.00 -4.07 -0.01 0.00 -1.53 0.00 0.00 36.38 30.77 2gq3 s VAL 453 CO 0.00 0.17 0.37 1.33 -3.33 0.00 0.00 175.10 173.64 2gq3 n VAL 454 N 3.56 0.00 -3.57 2.04 0.24 0.01 -4.74 118.33 115.87 2gq3 n VAL 454 Ca 0.07 -0.46 -0.10 0.00 -2.04 0.00 0.00 64.34 61.81 2gq3 n VAL 454 Cb 0.48 1.04 -0.04 0.00 -1.47 0.00 0.00 33.84 33.84 2gq3 n VAL 454 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 2gq3 s PHE 455 N -0.85 -0.35 0.15 6.34 -0.12 -1.23 -0.89 117.98 121.03 2gq3 s PHE 455 Ca 0.03 0.54 0.11 0.00 -0.05 0.00 0.00 56.93 57.55 2gq3 s PHE 455 Cb 0.03 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.84 2gq3 s PHE 455 CO 0.10 -0.37 -0.24 0.96 -0.05 0.00 0.00 175.22 175.62 2gq3 s ILE 456 N -1.48 2.17 -0.17 -4.49 -4.36 -0.93 -0.82 121.20 111.12 2gq3 s ILE 456 Ca -0.00 -1.83 -0.10 0.00 -0.26 0.00 0.00 60.65 58.45 2gq3 s ILE 456 Cb -0.01 -1.96 0.06 0.00 1.25 0.00 0.00 42.46 41.80 2gq3 s ILE 456 CO -0.00 -0.04 0.42 0.21 0.24 0.00 0.00 174.94 175.77 2gq3 s ASN 457 N -2.29 -0.52 -0.71 4.36 3.84 -0.83 -1.21 114.94 117.57 2gq3 s ASN 457 Ca 0.15 0.91 -0.27 0.00 0.21 0.00 0.00 52.86 53.87 2gq3 s ASN 457 Cb -0.09 0.81 0.01 0.00 -0.55 0.00 0.00 41.25 41.43 2gq3 s ASN 457 CO 0.07 -0.19 1.49 0.42 -2.79 0.00 0.00 177.10 176.10 2gq3 s THR 458 N 1.26 3.60 -1.26 -5.21 -4.23 -0.91 0.37 115.64 109.25 2gq3 s THR 458 Ca -0.08 0.29 -0.15 0.00 -1.18 0.00 0.00 61.69 60.57 2gq3 s THR 458 Cb -0.08 -4.59 0.13 0.00 1.34 0.00 0.00 72.50 69.30 2gq3 s THR 458 CO -0.11 -1.54 1.63 0.61 -0.54 0.00 0.00 174.62 174.67 2gq3 n GLY 459 N 5.55 3.25 0.30 3.99 0.00 -0.70 -3.53 105.19 114.05 2gq3 n GLY 459 Ca 0.10 -1.79 0.17 0.00 0.00 0.00 0.00 46.02 44.50 2gq3 n GLY 459 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2gq3 h PHE 460 N 7.12 0.00 0.06 1.61 -5.15 -1.91 -1.22 116.94 117.45 2gq3 h PHE 460 Ca 0.39 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 58.16 2gq3 h PHE 460 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.01 2gq3 h PHE 460 CO 1.26 0.03 -0.03 -0.07 -2.00 0.00 0.00 178.31 177.50 2gq3 h LEU 461 N 0.00 -0.07 -0.75 2.10 3.38 -1.92 -0.44 115.31 117.61 2gq3 h LEU 461 Ca -0.00 -0.32 0.16 0.00 0.09 0.00 0.00 57.88 57.81 2gq3 h LEU 461 Cb 0.12 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.78 2gq3 h LEU 461 CO 0.00 0.57 0.23 0.44 0.09 0.00 0.00 178.44 179.77 2gq3 h ASP 462 N -0.99 0.12 -0.97 -0.43 3.45 -1.77 -1.35 116.42 114.48 2gq3 h ASP 462 Ca -0.01 0.13 0.05 0.00 0.43 0.00 0.00 57.03 57.63 2gq3 h ASP 462 Cb 0.38 0.15 -0.06 0.00 -0.56 0.00 0.00 39.33 39.25 2gq3 h ASP 462 CO 0.01 0.01 0.64 -0.09 -1.57 0.00 0.00 179.24 178.24 2gq3 h ARG 463 N 0.33 1.16 -0.39 3.56 9.65 -0.83 -0.85 114.38 127.02 2gq3 h ARG 463 Ca 0.42 -0.07 -0.12 0.00 -1.10 0.00 0.00 59.98 59.11 2gq3 h ARG 463 Cb 0.70 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 2gq3 h ARG 463 CO -0.47 0.77 -0.23 1.15 2.80 0.00 0.00 179.97 183.99 2gq3 h THR 464 N 1.19 1.28 -0.89 0.20 2.02 -0.41 -0.88 112.91 115.42 2gq3 h THR 464 Ca 0.40 -1.37 0.15 0.00 0.77 0.00 0.00 66.41 66.36 2gq3 h THR 464 Cb 0.07 1.33 -0.10 0.00 -1.74 0.00 0.00 68.15 67.72 2gq3 h THR 464 CO -0.14 0.46 0.49 1.23 0.37 0.00 0.00 175.52 177.93 2gq3 h GLY 465 N 0.64 1.48 1.67 2.16 0.00 -0.40 -1.42 103.07 107.20 2gq3 h GLY 465 Ca 0.08 -0.29 -0.19 0.00 0.00 0.00 0.00 47.33 46.93 2gq3 h GLY 465 CO 0.06 -0.03 -0.79 -1.80 0.00 0.00 0.00 176.54 173.98 2gq3 h ASP 466 N 0.68 0.38 -0.20 0.19 -0.00 -0.84 -2.13 116.42 114.51 2gq3 h ASP 466 Ca 0.49 -0.28 0.02 0.00 -0.00 0.00 0.00 57.03 57.26 2gq3 h ASP 466 Cb 0.69 -0.12 -0.02 0.00 -0.00 0.00 0.00 39.33 39.88 2gq3 h ASP 466 CO -0.36 1.03 0.07 -0.08 -0.00 0.00 0.00 179.24 179.90 2gq3 h GLU 467 N 0.20 0.16 -0.04 0.28 4.57 -0.84 0.29 114.58 119.20 2gq3 h GLU 467 Ca -0.04 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2gq3 h GLU 467 Cb 1.39 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.94 2gq3 h GLU 467 CO 0.13 0.10 0.00 0.82 -1.18 0.00 0.00 179.01 178.89 2gq3 h ILE 468 N 0.16 1.22 -0.60 2.32 2.04 -1.09 -3.06 117.51 118.51 2gq3 h ILE 468 Ca 0.09 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 2gq3 h ILE 468 Cb 0.06 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 2gq3 h ILE 468 CO -0.09 0.18 0.20 -0.74 0.00 0.00 0.00 178.15 177.69 2gq3 h HIS 469 N -0.19 0.91 -0.56 1.37 2.76 -1.31 -1.75 115.15 116.38 2gq3 h HIS 469 Ca 0.01 -0.07 -0.04 0.00 -2.20 0.00 0.00 60.37 58.07 2gq3 h HIS 469 Cb 0.29 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 2gq3 h HIS 469 CO 0.02 0.73 0.19 1.15 -1.30 0.00 0.00 177.93 178.72 2gq3 h THR 470 N 0.87 1.23 -0.69 6.26 2.02 -0.40 -2.60 112.91 119.61 2gq3 h THR 470 Ca 0.20 -0.76 -0.14 0.00 0.77 0.00 0.00 66.41 66.47 2gq3 h THR 470 Cb 0.24 0.68 -0.09 0.00 -1.74 0.00 0.00 68.15 67.24 2gq3 h THR 470 CO -0.01 0.29 0.18 -1.20 0.37 0.00 0.00 175.52 175.15 2gq3 n SER 471 N -4.46 5.18 -0.32 4.18 7.64 -1.16 -4.72 113.62 119.96 2gq3 n SER 471 Ca 0.03 -3.13 0.22 0.00 1.01 0.00 0.00 58.87 57.00 2gq3 n SER 471 Cb 0.19 -0.73 0.44 0.00 -1.01 0.00 0.00 64.21 63.10 2gq3 n SER 471 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2gq3 h MET 472 N 3.14 0.22 -0.01 1.43 4.05 -0.90 0.14 114.93 123.00 2gq3 h MET 472 Ca 0.18 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 2gq3 h MET 472 Cb 2.23 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.98 2gq3 h MET 472 CO 0.66 0.15 -0.21 0.39 0.23 0.00 0.00 176.91 178.13 2gq3 n GLU 473 N -5.15 0.94 0.11 0.39 -0.58 -1.26 -3.99 120.64 111.10 2gq3 n GLU 473 Ca 0.30 -0.54 -0.03 0.00 -0.42 0.00 0.00 57.16 56.47 2gq3 n GLU 473 Cb 0.95 -1.49 0.14 0.00 -0.57 0.00 0.00 31.44 30.47 2gq3 n GLU 473 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2gq3 h ALA 474 N 3.77 0.90 0.00 0.62 0.00 -1.04 -3.42 119.26 120.09 2gq3 h ALA 474 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2gq3 h ALA 474 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2gq3 h ALA 474 CO 0.00 0.75 0.00 0.41 0.00 0.00 0.00 179.25 180.41 2gq3 n GLY 475 N 0.27 -1.46 3.75 0.00 0.00 -1.26 -5.09 105.19 101.40 2gq3 n GLY 475 Ca -0.02 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 2gq3 n GLY 475 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gq3 s PRO 476 N -1.85 4.40 0.61 1.61 0.04 -1.26 -4.89 135.00 133.66 2gq3 s PRO 476 Ca 0.00 2.08 -0.06 0.00 0.04 0.00 0.00 61.00 63.05 2gq3 s PRO 476 Cb 0.00 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.39 2gq3 s PRO 476 CO 0.00 -0.21 0.92 -1.64 0.04 0.00 0.00 177.00 176.11 2gq3 s MET 477 N -0.54 2.82 0.84 4.56 -1.94 -1.26 -1.36 119.30 122.42 2gq3 s MET 477 Ca 0.54 -0.02 -0.10 0.00 -1.71 0.00 0.00 55.69 54.40 2gq3 s MET 477 Cb -0.37 -2.25 0.10 0.00 2.01 0.00 0.00 34.83 34.32 2gq3 s MET 477 CO 0.41 -0.78 1.12 0.14 -0.01 0.00 0.00 175.02 175.90 2gq3 s VAL 478 N -3.04 2.72 0.51 -6.03 -7.23 -0.66 -4.41 120.40 102.26 2gq3 s VAL 478 Ca 0.55 0.23 -0.21 0.00 -1.81 0.00 0.00 61.98 60.74 2gq3 s VAL 478 Cb -0.11 -2.50 -0.08 0.00 0.56 0.00 0.00 36.38 34.26 2gq3 s VAL 478 CO 0.45 -0.31 1.01 0.54 -0.31 0.00 0.00 175.10 176.49 2gq3 n ARG 479 N -3.87 1.20 0.28 4.82 1.74 -1.26 -4.83 116.66 114.75 2gq3 n ARG 479 Ca 0.10 0.44 0.14 0.00 -0.77 0.00 0.00 57.85 57.77 2gq3 n ARG 479 Cb 0.53 -2.14 0.84 0.00 -1.02 0.00 0.00 32.46 30.66 2gq3 n ARG 479 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 2gq3 h LYS 480 N 1.09 0.00 -0.07 5.56 2.10 -1.98 0.21 116.57 123.48 2gq3 h LYS 480 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2gq3 h LYS 480 Cb 1.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 2gq3 h LYS 480 CO 0.54 0.05 0.00 0.41 -2.00 0.00 0.00 179.45 178.45 2gq3 n GLY 481 N -1.11 -0.48 0.00 0.07 0.00 -1.26 -3.03 105.19 99.38 2gq3 n GLY 481 Ca -0.03 -0.23 0.06 0.00 0.00 0.00 0.00 46.02 45.82 2gq3 n GLY 481 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2gq3 n THR 482 N -0.33 0.00 -0.32 2.61 -1.04 0.72 -4.46 114.28 111.46 2gq3 n THR 482 Ca 0.14 -0.25 0.15 0.00 -2.04 0.00 0.00 64.05 62.05 2gq3 n THR 482 Cb 0.17 0.62 0.34 0.00 -1.82 0.00 0.00 70.33 69.64 2gq3 n THR 482 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 2gq3 h MET 483 N 0.00 0.45 0.00 -2.82 2.07 -1.44 -2.73 114.93 110.45 2gq3 h MET 483 Ca 0.00 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 2gq3 h MET 483 Cb 0.41 -0.10 0.00 0.00 -1.87 0.00 0.00 31.60 30.04 2gq3 h MET 483 CO 0.00 0.30 0.02 1.57 1.07 0.00 0.00 176.91 179.87 2gq3 h LYS 484 N 0.46 0.00 -0.22 1.72 2.10 -1.80 -1.35 116.57 117.49 2gq3 h LYS 484 Ca 0.59 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.24 2gq3 h LYS 484 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2gq3 h LYS 484 CO -0.51 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 175.81 2gq3 n SER 485 N -2.59 2.65 -4.81 7.07 3.41 -1.03 -4.75 113.62 113.58 2gq3 n SER 485 Ca -0.02 -1.78 -0.37 0.00 -0.26 0.00 0.00 58.87 56.43 2gq3 n SER 485 Cb 0.07 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 63.82 2gq3 n SER 485 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2gq3 s GLN 486 N -1.09 4.32 0.23 4.33 -1.52 -0.51 -4.97 119.66 120.45 2gq3 s GLN 486 Ca 0.23 0.92 -0.06 0.00 -1.95 0.00 0.00 55.36 54.49 2gq3 s GLN 486 Cb 0.13 -3.02 0.39 0.00 -0.22 0.00 0.00 33.01 30.29 2gq3 s GLN 486 CO 0.19 0.47 1.75 -1.35 -0.25 0.00 0.00 175.29 176.10 2gq3 h PRO 487 N 3.79 0.50 -0.96 2.91 0.11 -1.89 -1.69 132.00 134.76 2gq3 h PRO 487 Ca -0.48 -0.03 0.27 0.00 0.11 0.00 0.00 66.00 65.87 2gq3 h PRO 487 Cb 1.20 -0.11 -0.14 0.00 0.11 0.00 0.00 31.00 32.06 2gq3 h PRO 487 CO 0.65 0.33 0.48 0.11 -0.21 0.00 0.00 178.00 179.37 2gq3 h TRP 488 N 0.52 0.80 0.08 0.65 5.08 -1.71 -0.51 115.95 120.85 2gq3 h TRP 488 Ca 0.37 0.04 -0.29 0.00 1.08 0.00 0.00 58.89 60.10 2gq3 h TRP 488 Cb 0.48 -0.20 -0.02 0.00 -3.00 0.00 0.00 29.16 26.43 2gq3 h TRP 488 CO -0.14 -0.11 -1.48 0.97 -1.28 0.00 0.00 178.44 176.41 2gq3 h ILE 489 N 0.37 1.19 -0.15 0.12 2.10 -1.61 -0.70 117.51 118.84 2gq3 h ILE 489 Ca 0.65 -2.88 -0.04 0.00 1.08 0.00 0.00 64.86 63.68 2gq3 h ILE 489 Cb 1.37 2.71 -0.00 0.00 -1.09 0.00 0.00 36.82 39.81 2gq3 h ILE 489 CO -0.57 0.79 -0.05 -0.07 -1.08 0.00 0.00 178.15 177.17 2gq3 h LEU 490 N 0.05 0.29 -0.02 2.19 3.38 -1.21 -2.13 115.31 117.86 2gq3 h LEU 490 Ca -0.21 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.39 2gq3 h LEU 490 Cb 1.97 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 2gq3 h LEU 490 CO 0.14 0.61 -0.04 0.00 0.09 0.00 0.00 178.44 179.24 2gq3 h ALA 491 N 0.69 -0.02 -0.82 1.53 0.00 -1.21 -2.86 119.26 116.58 2gq3 h ALA 491 Ca 0.04 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.11 2gq3 h ALA 491 Cb 0.49 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.20 2gq3 h ALA 491 CO 0.02 -0.53 -0.27 -0.92 0.00 0.00 0.00 179.25 177.55 2gq3 h TYR 492 N -0.06 -0.67 -0.12 0.00 3.20 -1.12 0.38 116.97 118.56 2gq3 h TYR 492 Ca 0.02 0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 2gq3 h TYR 492 Cb 0.09 0.42 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 2gq3 h TYR 492 CO -0.12 -0.37 0.07 0.93 -1.64 0.00 0.00 178.16 177.02 2gq3 h GLU 493 N -0.04 0.17 -0.30 1.82 4.39 -1.39 -2.42 114.58 116.82 2gq3 h GLU 493 Ca 0.36 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.99 2gq3 h GLU 493 Cb 0.60 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2gq3 h GLU 493 CO -0.85 0.21 0.00 -0.44 -1.16 0.00 0.00 179.01 176.77 2gq3 h ASP 494 N 0.09 0.51 -0.94 1.42 3.32 -1.21 -3.04 116.42 116.58 2gq3 h ASP 494 Ca 0.04 -0.31 0.15 0.00 0.02 0.00 0.00 57.03 56.94 2gq3 h ASP 494 Cb 0.09 -0.14 -0.10 0.00 0.22 0.00 0.00 39.33 39.40 2gq3 h ASP 494 CO -0.01 0.69 0.55 -0.74 -1.72 0.00 0.00 179.24 178.02 2gq3 h HIS 495 N 0.32 0.98 0.05 4.55 2.76 -0.27 -0.73 115.15 122.81 2gq3 h HIS 495 Ca 0.08 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2gq3 h HIS 495 Cb 0.43 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.10 2gq3 h HIS 495 CO 0.04 0.28 -0.02 -0.97 -1.30 0.00 0.00 177.93 175.95 2gq3 h ASN 496 N 0.77 -0.06 0.04 3.26 -0.73 -1.40 -1.57 115.58 115.89 2gq3 h ASN 496 Ca 0.51 -0.10 -0.00 0.00 1.87 0.00 0.00 56.30 58.58 2gq3 h ASN 496 Cb 0.69 0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.30 2gq3 h ASN 496 CO -0.34 0.06 -0.02 0.58 -0.37 0.00 0.00 177.43 177.34 2gq3 h VAL 497 N -0.17 0.96 -0.65 2.57 2.07 -1.37 -0.87 116.25 118.78 2gq3 h VAL 497 Ca -0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 2gq3 h VAL 497 Cb 0.15 0.96 -0.12 0.00 -1.52 0.00 0.00 31.29 30.75 2gq3 h VAL 497 CO 0.01 0.00 -0.23 0.44 0.02 0.00 0.00 177.57 177.81 2gq3 h ASP 498 N -0.06 -0.81 -0.20 0.57 3.32 -1.04 -0.43 116.42 117.77 2gq3 h ASP 498 Ca -0.00 0.21 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 2gq3 h ASP 498 Cb 0.05 0.47 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2gq3 h ASP 498 CO 0.01 -0.25 -0.10 0.00 -1.72 0.00 0.00 179.24 177.18 2gq3 h ALA 499 N 1.44 0.28 -0.31 3.45 0.00 -1.05 -0.30 119.26 122.78 2gq3 h ALA 499 Ca 0.29 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2gq3 h ALA 499 Cb 0.52 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2gq3 h ALA 499 CO -0.69 0.11 0.16 0.78 0.00 0.00 0.00 179.25 179.61 2gq3 h GLY 500 N 0.11 0.41 1.75 0.00 0.00 -0.99 -2.02 103.07 102.33 2gq3 h GLY 500 Ca 0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 2gq3 h GLY 500 CO 0.03 0.09 -0.33 1.41 0.00 0.00 0.00 176.54 177.74 2gq3 h LEU 501 N 0.33 0.29 -1.08 3.11 3.38 -0.92 -2.15 115.31 118.27 2gq3 h LEU 501 Ca 0.13 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2gq3 h LEU 501 Cb 0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2gq3 h LEU 501 CO -0.08 0.61 -0.46 0.00 0.09 0.00 0.00 178.44 178.61 2gq3 h ALA 502 N 1.41 1.24 -0.04 1.53 0.00 -0.95 -2.24 119.26 120.21 2gq3 h ALA 502 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2gq3 h ALA 502 Cb 0.71 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2gq3 h ALA 502 CO 0.05 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.88 2gq3 n ALA 503 N -2.45 2.56 -1.75 0.00 0.00 -0.77 -4.71 120.51 113.38 2gq3 n ALA 503 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2gq3 n ALA 503 Cb 0.48 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2gq3 n ALA 503 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gq3 n GLY 504 N 0.76 0.52 0.15 0.00 0.00 -0.84 -2.14 105.19 103.63 2gq3 n GLY 504 Ca 0.10 -0.82 -0.01 0.00 0.00 0.00 0.00 46.02 45.29 2gq3 n GLY 504 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2gq3 h PHE 505 N 0.00 0.02 -2.48 1.61 -1.00 -1.58 -3.39 116.94 110.11 2gq3 h PHE 505 Ca 0.00 -0.01 -0.53 0.00 2.81 0.00 0.00 57.97 60.24 2gq3 h PHE 505 Cb 0.85 -0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.42 2gq3 h PHE 505 CO 0.00 0.58 1.15 0.45 -1.61 0.00 0.00 178.31 178.88 2gq3 s SER 506 N -6.87 6.49 0.00 2.17 0.15 -1.26 -0.16 113.70 114.22 2gq3 s SER 506 Ca -0.02 2.62 0.00 0.00 0.70 0.00 0.00 55.95 59.25 2gq3 s SER 506 Cb 0.13 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2gq3 s SER 506 CO 0.76 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 174.80 2gq3 n GLY 507 N 4.34 0.88 0.00 9.45 0.00 -1.23 -4.84 105.19 113.79 2gq3 n GLY 507 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2gq3 n GLY 507 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gq3 n ARG 508 N -2.10 0.64 -3.66 1.61 1.74 0.77 -4.66 116.66 111.00 2gq3 n ARG 508 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 2gq3 n ARG 508 Cb 0.00 -0.61 -0.07 0.00 -1.02 0.00 0.00 32.46 30.76 2gq3 n ARG 508 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gq3 s ALA 509 N -1.23 -1.08 0.30 7.54 0.00 -0.26 -4.41 121.76 122.61 2gq3 s ALA 509 Ca 0.00 0.46 -0.29 0.00 0.00 0.00 0.00 51.96 52.13 2gq3 s ALA 509 Cb 0.00 0.26 -0.09 0.00 0.00 0.00 0.00 23.12 23.28 2gq3 s ALA 509 CO 0.00 -0.41 1.09 -0.65 0.00 0.00 0.00 175.76 175.78 2gq3 s GLN 510 N -2.09 4.57 -0.33 0.00 -0.21 -0.07 -4.53 119.66 117.00 2gq3 s GLN 510 Ca -0.08 1.75 -0.10 0.00 0.02 0.00 0.00 55.36 56.96 2gq3 s GLN 510 Cb -0.02 -3.09 0.01 0.00 1.00 0.00 0.00 33.01 30.91 2gq3 s GLN 510 CO 0.00 0.17 0.16 0.08 -2.12 0.00 0.00 175.29 173.58 2gq3 s VAL 511 N -1.24 4.50 0.14 1.09 1.01 -1.26 -2.18 120.40 122.45 2gq3 s VAL 511 Ca 0.46 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.96 2gq3 s VAL 511 Cb -0.30 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2gq3 s VAL 511 CO 0.39 -0.02 -0.22 -0.83 0.00 0.00 0.00 175.10 174.42 2gq3 s GLY 512 N 1.58 1.66 0.43 4.51 0.00 -0.35 -0.12 107.32 115.02 2gq3 s GLY 512 Ca 0.04 -1.46 0.02 0.00 0.00 0.00 0.00 44.72 43.31 2gq3 s GLY 512 CO 0.06 -1.45 0.07 0.28 0.00 0.00 0.00 173.10 172.05 2gq3 n LYS 513 N 0.68 0.73 -0.77 2.90 5.02 -0.52 -2.14 118.16 124.05 2gq3 n LYS 513 Ca -0.16 -3.38 -0.05 0.00 -2.02 0.00 0.00 58.31 52.70 2gq3 n LYS 513 Cb 0.54 1.33 0.03 0.00 -0.02 0.00 0.00 35.03 36.91 2gq3 n LYS 513 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gq3 n GLY 514 N -0.67 0.01 3.76 0.72 0.00 -1.23 -2.01 105.19 105.78 2gq3 n GLY 514 Ca -0.13 -1.86 -0.39 0.00 0.00 0.00 0.00 46.02 43.63 2gq3 n GLY 514 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2gq3 s MET 515 N -3.18 4.47 -0.42 1.61 1.75 -1.26 -2.78 119.30 119.49 2gq3 s MET 515 Ca 0.14 1.03 -0.26 0.00 -1.25 0.00 0.00 55.69 55.35 2gq3 s MET 515 Cb -0.01 -3.31 0.02 0.00 2.84 0.00 0.00 34.83 34.37 2gq3 s MET 515 CO 0.10 0.43 0.95 -0.46 -0.65 0.00 0.00 175.02 175.39 2gq3 s TRP 516 N -0.56 2.97 -2.46 4.11 -0.11 -1.14 -4.95 118.94 116.80 2gq3 s TRP 516 Ca 0.36 0.60 0.25 0.00 1.22 0.00 0.00 56.10 58.52 2gq3 s TRP 516 Cb -0.21 -3.90 0.47 0.00 -1.50 0.00 0.00 33.47 28.33 2gq3 s TRP 516 CO 0.23 -1.01 1.40 0.25 -4.62 0.00 0.00 176.95 173.21 2gq3 n THR 517 N 6.29 0.00 -3.28 5.86 -2.24 -1.26 -4.27 114.28 115.38 2gq3 n THR 517 Ca 0.07 -0.32 -0.46 0.00 -2.27 0.00 0.00 64.05 61.07 2gq3 n THR 517 Cb 0.48 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.70 2gq3 n THR 517 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2gq3 s MET 518 N -2.18 3.77 0.56 -0.78 -1.94 -1.26 -0.18 119.30 117.29 2gq3 s MET 518 Ca 0.28 -2.58 0.29 0.00 -1.71 0.00 0.00 55.69 51.97 2gq3 s MET 518 Cb 0.20 -4.54 1.69 0.00 2.01 0.00 0.00 34.83 34.19 2gq3 s MET 518 CO 0.40 -1.35 2.19 1.79 -0.01 0.00 0.00 175.02 178.04 2gq3 h THR 519 N 4.62 0.54 0.00 2.05 1.35 -1.83 -1.84 112.91 117.80 2gq3 h THR 519 Ca 0.14 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 2gq3 h THR 519 Cb 0.99 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 2gq3 h THR 519 CO 0.87 0.05 -0.91 -0.62 -0.25 0.00 0.00 175.52 174.66 2gq3 n GLU 520 N -3.76 0.84 -3.35 4.72 -0.58 -1.26 -4.75 120.64 112.51 2gq3 n GLU 520 Ca -0.03 -0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.29 2gq3 n GLU 520 Cb 0.14 -1.38 -0.02 0.00 -0.57 0.00 0.00 31.44 29.62 2gq3 n GLU 520 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2gq3 n LEU 521 N -1.46 5.34 0.00 -4.62 4.77 -0.69 -4.60 117.00 115.74 2gq3 n LEU 521 Ca 0.03 -5.11 -0.01 0.00 -0.03 0.00 0.00 56.01 50.90 2gq3 n LEU 521 Cb 0.30 -1.33 -0.11 0.00 -2.33 0.00 0.00 43.42 39.95 2gq3 n LEU 521 CO 0.38 1.48 -0.51 0.23 -1.33 0.00 0.00 177.39 177.64 2gq3 n MET 522 N 2.29 0.64 -0.12 3.23 2.81 -1.26 -2.17 117.12 122.53 2gq3 n MET 522 Ca 0.24 0.13 -0.06 0.00 -1.81 0.00 0.00 57.70 56.21 2gq3 n MET 522 Cb 0.38 -1.72 0.13 0.00 -0.71 0.00 0.00 33.22 31.29 2gq3 n MET 522 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2gq3 h ALA 523 N 1.40 1.03 -0.32 3.04 0.00 -1.86 0.07 119.26 122.63 2gq3 h ALA 523 Ca -0.22 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.24 2gq3 h ALA 523 Cb 1.65 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 2gq3 h ALA 523 CO 0.04 0.60 -0.46 -0.44 0.00 0.00 0.00 179.25 178.98 2gq3 h ASP 524 N 0.77 0.91 -0.01 0.00 3.45 -1.92 -1.50 116.42 118.12 2gq3 h ASP 524 Ca 0.14 -0.45 0.00 0.00 0.43 0.00 0.00 57.03 57.15 2gq3 h ASP 524 Cb 0.51 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 39.02 2gq3 h ASP 524 CO 0.03 1.23 0.00 -0.03 -1.57 0.00 0.00 179.24 178.90 2gq3 h MET 525 N 0.67 0.01 -0.62 3.56 4.05 -1.00 0.59 114.93 122.20 2gq3 h MET 525 Ca 0.04 -0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.41 2gq3 h MET 525 Cb 1.05 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.82 2gq3 h MET 525 CO 0.10 0.03 0.20 0.28 0.23 0.00 0.00 176.91 177.75 2gq3 h VAL 526 N -0.02 1.23 -0.32 -5.77 2.07 -0.87 0.55 116.25 113.13 2gq3 h VAL 526 Ca 0.00 -0.79 -0.18 0.00 0.82 0.00 0.00 66.70 66.55 2gq3 h VAL 526 Cb 0.02 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2gq3 h VAL 526 CO -0.00 0.31 -0.49 -0.08 0.02 0.00 0.00 177.57 177.32 2gq3 h GLU 527 N 0.90 0.89 0.02 1.57 4.81 -0.84 -3.41 114.58 118.53 2gq3 h GLU 527 Ca 0.20 -0.54 -0.40 0.00 -0.13 0.00 0.00 59.36 58.50 2gq3 h GLU 527 Cb 0.26 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.63 2gq3 h GLU 527 CO -0.01 1.18 -2.35 2.41 -0.73 0.00 0.00 179.01 179.51 2gq3 n THR 528 N -4.03 1.54 0.56 0.32 -1.04 0.16 -4.53 114.28 107.26 2gq3 n THR 528 Ca -0.04 -0.49 0.07 0.00 -2.04 0.00 0.00 64.05 61.55 2gq3 n THR 528 Cb 0.60 -1.63 0.33 0.00 -1.82 0.00 0.00 70.33 67.81 2gq3 n THR 528 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2gq3 n LYS 529 N -3.65 0.04 0.27 -2.82 4.81 0.17 -1.92 118.16 115.07 2gq3 n LYS 529 Ca -0.46 0.22 0.11 0.00 -0.87 0.00 0.00 58.31 57.32 2gq3 n LYS 529 Cb 0.95 -1.50 0.75 0.00 0.02 0.00 0.00 35.03 35.25 2gq3 n LYS 529 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 2gq3 h ILE 530 N 0.00 0.77 -0.89 3.15 2.10 -1.78 -2.32 117.51 118.54 2gq3 h ILE 530 Ca 0.00 -0.11 0.22 0.00 1.08 0.00 0.00 64.86 66.05 2gq3 h ILE 530 Cb 0.24 1.06 -0.06 0.00 -1.09 0.00 0.00 36.82 36.97 2gq3 h ILE 530 CO 0.00 0.03 0.60 0.00 -1.08 0.00 0.00 178.15 177.70 2gq3 h ALA 531 N 1.97 2.43 0.17 0.18 0.00 -1.71 -2.86 119.26 119.44 2gq3 h ALA 531 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2gq3 h ALA 531 Cb 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2gq3 h ALA 531 CO 0.00 -0.70 -0.08 1.96 0.00 0.00 0.00 179.25 180.43 2gq3 h GLN 532 N 0.25 -0.22 -0.32 0.00 4.20 -1.67 -1.41 115.11 115.94 2gq3 h GLN 532 Ca 0.45 0.02 0.05 0.00 0.06 0.00 0.00 58.65 59.23 2gq3 h GLN 532 Cb 1.35 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.16 2gq3 h GLN 532 CO -0.12 0.20 0.22 -1.00 -0.67 0.00 0.00 178.83 177.46 2gq3 h PRO 533 N -0.81 0.20 0.00 1.46 0.13 -1.72 -1.65 132.00 129.61 2gq3 h PRO 533 Ca -0.02 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2gq3 h PRO 533 Cb 0.52 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 2gq3 h PRO 533 CO 0.04 0.13 -0.01 0.00 -0.23 0.00 0.00 178.00 177.93 2gq3 h ARG 534 N 0.20 0.00 -0.09 0.86 3.08 -1.27 -0.95 114.38 116.21 2gq3 h ARG 534 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2gq3 h ARG 534 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2gq3 h ARG 534 CO -0.02 0.01 0.00 0.00 -1.07 0.00 0.00 179.97 178.89 2gq3 n ALA 535 N -2.10 2.53 0.00 0.04 0.00 -0.55 -4.94 120.51 115.49 2gq3 n ALA 535 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2gq3 n ALA 535 Cb 0.19 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2gq3 n ALA 535 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gq3 n GLY 536 N 1.21 0.92 3.68 0.00 0.00 -0.36 -4.99 105.19 105.65 2gq3 n GLY 536 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2gq3 n GLY 536 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gq3 s ALA 537 N -2.00 3.47 -0.92 4.61 0.00 -0.98 -4.80 121.76 121.14 2gq3 s ALA 537 Ca 0.00 0.07 0.27 0.00 0.00 0.00 0.00 51.96 52.30 2gq3 s ALA 537 Cb 0.00 -3.19 1.09 0.00 0.00 0.00 0.00 23.12 21.02 2gq3 s ALA 537 CO 0.00 -0.55 1.86 -1.13 0.00 0.00 0.00 175.76 175.93 2gq3 n SER 538 N 4.97 0.21 -3.68 0.00 3.41 0.82 -4.17 113.62 115.18 2gq3 n SER 538 Ca 0.04 0.52 -0.11 0.00 -0.26 0.00 0.00 58.87 59.06 2gq3 n SER 538 Cb 0.49 -0.58 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 2gq3 n SER 538 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2gq3 s THR 539 N -3.03 0.07 0.15 6.66 -1.32 -1.11 -1.21 115.64 115.85 2gq3 s THR 539 Ca 0.12 -0.61 -0.12 0.00 -1.21 0.00 0.00 61.69 59.87 2gq3 s THR 539 Cb 0.17 -1.10 0.01 0.00 -1.51 0.00 0.00 72.50 70.07 2gq3 s THR 539 CO 0.52 -0.34 0.35 0.00 -2.21 0.00 0.00 174.62 172.94 2gq3 s ALA 540 N -3.28 -0.42 0.10 11.08 0.00 -1.26 -1.44 121.76 126.55 2gq3 s ALA 540 Ca -0.00 -0.55 -0.19 0.00 0.00 0.00 0.00 51.96 51.22 2gq3 s ALA 540 Cb 0.01 0.77 -0.07 0.00 0.00 0.00 0.00 23.12 23.84 2gq3 s ALA 540 CO -0.08 -0.67 0.60 -1.58 0.00 0.00 0.00 175.76 174.03 2gq3 s TRP 541 N -3.90 3.79 0.04 0.00 0.52 -0.85 -1.72 118.94 116.82 2gq3 s TRP 541 Ca 0.11 1.30 0.04 0.00 0.02 0.00 0.00 56.10 57.57 2gq3 s TRP 541 Cb 0.02 -2.52 -0.02 0.00 -1.15 0.00 0.00 33.47 29.80 2gq3 s TRP 541 CO -0.04 0.55 -0.13 0.14 0.02 0.00 0.00 176.95 177.48 2gq3 s VAL 542 N -1.18 1.03 -1.06 4.03 -7.23 -0.89 -2.89 120.40 112.20 2gq3 s VAL 542 Ca 0.32 -1.02 0.28 0.00 -1.81 0.00 0.00 61.98 59.74 2gq3 s VAL 542 Cb -0.19 -0.95 0.21 0.00 0.56 0.00 0.00 36.38 36.01 2gq3 s VAL 542 CO 0.20 -0.06 1.80 -0.81 -0.31 0.00 0.00 175.10 175.92 2gq3 n PRO 543 N 1.80 0.07 -3.44 4.82 -0.04 -1.26 -3.41 135.00 133.53 2gq3 n PRO 543 Ca -0.19 -0.02 -0.12 0.00 -0.04 0.00 0.00 63.50 63.14 2gq3 n PRO 543 Cb 0.55 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 2gq3 n PRO 543 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2gq3 s SER 544 N -2.94 -0.53 0.19 3.54 1.04 -1.26 -4.91 113.70 108.83 2gq3 s SER 544 Ca 0.15 0.05 -0.17 0.00 0.48 0.00 0.00 55.95 56.46 2gq3 s SER 544 Cb 0.19 0.55 0.17 0.00 0.10 0.00 0.00 66.02 67.03 2gq3 s SER 544 CO 0.57 -0.87 1.62 -0.65 0.98 0.00 0.00 173.24 174.88 2gq3 h PRO 545 N 2.07 -0.08 -0.41 4.02 0.11 -1.92 -0.49 132.00 135.30 2gq3 h PRO 545 Ca -0.31 0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.88 2gq3 h PRO 545 Cb 1.28 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.34 2gq3 h PRO 545 CO 0.37 -0.05 -0.04 1.15 -0.21 0.00 0.00 178.00 179.22 2gq3 h THR 546 N -0.08 0.65 0.00 -1.15 2.02 -1.98 -0.89 112.91 111.48 2gq3 h THR 546 Ca 0.25 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.38 2gq3 h THR 546 Cb 0.48 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 2gq3 h THR 546 CO -0.61 0.01 -0.17 0.00 0.37 0.00 0.00 175.52 175.13 2gq3 h ALA 547 N 1.38 1.57 -0.27 6.16 0.00 -1.86 -2.18 119.26 124.07 2gq3 h ALA 547 Ca 0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2gq3 h ALA 547 Cb 0.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2gq3 h ALA 547 CO -0.37 0.21 0.02 0.00 0.00 0.00 0.00 179.25 179.11 2gq3 h ALA 548 N 1.83 0.36 -0.53 0.00 0.00 0.21 0.09 119.26 121.23 2gq3 h ALA 548 Ca -0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2gq3 h ALA 548 Cb 0.33 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2gq3 h ALA 548 CO 0.02 0.07 -0.03 1.15 0.00 0.00 0.00 179.25 180.46 2gq3 h THR 549 N 0.26 1.26 -0.07 0.00 2.02 -1.08 -0.27 112.91 115.02 2gq3 h THR 549 Ca 0.08 -1.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.09 2gq3 h THR 549 Cb 0.38 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2gq3 h THR 549 CO 0.01 0.40 -0.11 -0.07 0.37 0.00 0.00 175.52 176.12 2gq3 h LEU 550 N 0.84 0.23 -1.95 2.58 3.38 -1.39 -3.05 115.31 115.96 2gq3 h LEU 550 Ca 0.15 -0.53 0.07 0.00 0.09 0.00 0.00 57.88 57.66 2gq3 h LEU 550 Cb 0.55 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2gq3 h LEU 550 CO 0.03 0.72 0.21 -0.74 0.09 0.00 0.00 178.44 178.75 2gq3 h HIS 551 N -0.25 0.06 0.00 1.13 2.76 -0.89 -0.88 115.15 117.08 2gq3 h HIS 551 Ca 0.01 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2gq3 h HIS 551 Cb 0.67 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.61 2gq3 h HIS 551 CO 0.10 0.03 -0.01 0.00 -1.30 0.00 0.00 177.93 176.76 2gq3 h ALA 552 N 1.85 1.38 -0.69 5.26 0.00 -0.92 -1.04 119.26 125.10 2gq3 h ALA 552 Ca 0.14 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2gq3 h ALA 552 Cb 0.47 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2gq3 h ALA 552 CO -0.01 0.01 0.45 -0.07 0.00 0.00 0.00 179.25 179.64 2gq3 h LEU 553 N 0.00 0.78 -1.20 0.00 3.38 -1.23 -1.57 115.31 115.46 2gq3 h LEU 553 Ca -0.00 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2gq3 h LEU 553 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2gq3 h LEU 553 CO 0.00 0.57 -0.38 0.45 0.09 0.00 0.00 178.44 179.16 2gq3 h HIS 554 N 0.92 0.00 0.00 1.13 3.86 -1.35 -1.56 115.15 118.16 2gq3 h HIS 554 Ca 0.25 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.43 2gq3 h HIS 554 Cb -0.10 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.37 2gq3 h HIS 554 CO -0.00 0.38 -0.16 1.88 0.86 0.00 0.00 177.93 180.89 2gq3 h TYR 555 N 0.00 0.00 -0.03 2.45 -1.99 -1.38 0.33 116.97 116.36 2gq3 h TYR 555 Ca -0.00 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.54 2gq3 h TYR 555 Cb 0.72 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.44 2gq3 h TYR 555 CO 0.00 0.15 -0.78 0.45 -0.00 0.00 0.00 178.16 177.98 2gq3 h HIS 556 N 0.00 0.34 0.19 4.88 3.86 -1.07 -3.34 115.15 120.00 2gq3 h HIS 556 Ca -0.00 -0.16 -0.32 0.00 -1.16 0.00 0.00 60.37 58.72 2gq3 h HIS 556 Cb 1.11 -0.05 0.02 0.00 1.06 0.00 0.00 27.41 29.55 2gq3 h HIS 556 CO 0.00 0.93 -1.52 1.96 0.86 0.00 0.00 177.93 180.16 2gq3 h GLN 557 N 0.15 0.40 -5.27 2.45 4.20 -1.21 -3.45 115.11 112.38 2gq3 h GLN 557 Ca -0.03 -0.68 -0.60 0.00 0.06 0.00 0.00 58.65 57.39 2gq3 h GLN 557 Cb 1.37 0.25 -0.13 0.00 0.30 0.00 0.00 27.48 29.27 2gq3 h GLN 557 CO 0.12 1.30 -0.51 0.08 -0.67 0.00 0.00 178.83 179.16 2gq3 s VAL 558 N -2.61 5.26 -1.05 -0.54 1.01 0.09 -5.03 120.40 117.53 2gq3 s VAL 558 Ca -0.10 0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 2gq3 s VAL 558 Cb 0.05 -3.40 0.13 0.00 0.00 0.00 0.00 36.38 33.16 2gq3 s VAL 558 CO 0.89 0.44 1.30 -0.62 0.00 0.00 0.00 175.10 177.12 2gq3 s ASP 559 N 0.39 6.75 0.32 3.32 -1.08 -1.26 -4.62 116.67 120.49 2gq3 s ASP 559 Ca 0.07 -2.27 0.01 0.00 -0.52 0.00 0.00 52.55 49.84 2gq3 s ASP 559 Cb -0.11 -2.44 0.54 0.00 -1.46 0.00 0.00 42.92 39.45 2gq3 s ASP 559 CO -0.01 -1.04 1.92 0.58 0.52 0.00 0.00 175.17 177.14 2gq3 h VAL 560 N 5.61 1.19 -0.41 1.11 2.07 -1.87 -0.38 116.25 123.58 2gq3 h VAL 560 Ca 0.23 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.24 2gq3 h VAL 560 Cb 0.97 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 2gq3 h VAL 560 CO 1.21 0.23 0.16 0.00 0.02 0.00 0.00 177.57 179.19 2gq3 h ALA 561 N 1.49 0.49 -0.41 1.67 0.00 -1.96 0.11 119.26 120.65 2gq3 h ALA 561 Ca 0.19 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2gq3 h ALA 561 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2gq3 h ALA 561 CO -0.02 -0.22 0.22 0.00 0.00 0.00 0.00 179.25 179.22 2gq3 h ALA 562 N 1.25 0.53 -0.48 0.00 0.00 -1.68 -2.25 119.26 116.63 2gq3 h ALA 562 Ca 0.19 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.11 2gq3 h ALA 562 Cb 0.15 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.68 2gq3 h ALA 562 CO -0.17 0.06 -0.15 0.28 0.00 0.00 0.00 179.25 179.26 2gq3 h VAL 563 N 0.53 0.46 -0.91 0.00 2.07 -0.74 -2.66 116.25 115.00 2gq3 h VAL 563 Ca 0.14 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.66 2gq3 h VAL 563 Cb 0.06 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 2gq3 h VAL 563 CO -0.02 0.00 0.56 1.56 0.02 0.00 0.00 177.57 179.69 2gq3 h GLN 564 N -0.04 1.23 0.00 1.57 4.20 -0.76 -0.93 115.11 120.39 2gq3 h GLN 564 Ca 0.23 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 2gq3 h GLN 564 Cb 0.39 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2gq3 h GLN 564 CO -0.52 0.86 -0.18 1.96 -0.67 0.00 0.00 178.83 180.27 2gq3 h GLN 565 N 1.25 0.00 -0.00 1.46 7.50 -1.20 -0.30 115.11 123.83 2gq3 h GLN 565 Ca 0.33 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.48 2gq3 h GLN 565 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.46 2gq3 h GLN 565 CO -0.06 0.18 -0.37 0.41 -1.50 0.00 0.00 178.83 177.49 2gq3 n GLY 566 N -0.79 -1.21 0.05 3.46 0.00 -0.40 -3.76 105.19 102.53 2gq3 n GLY 566 Ca -0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 2gq3 n GLY 566 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gq3 n LEU 567 N -1.39 0.00 -4.65 0.99 4.77 -0.90 -5.01 117.00 110.81 2gq3 n LEU 567 Ca 0.07 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.59 2gq3 n LEU 567 Cb 0.33 0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.63 2gq3 n LEU 567 CO 0.32 0.25 1.05 0.00 -1.33 0.00 0.00 177.39 177.67 2gq3 n ALA 568 N -2.37 0.81 -0.99 -1.18 0.00 -0.15 -2.00 120.51 114.63 2gq3 n ALA 568 Ca -0.17 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2gq3 n ALA 568 Cb 0.80 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.99 2gq3 n ALA 568 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gq3 n GLY 569 N 2.68 0.48 3.42 0.00 0.00 -1.26 -5.03 105.19 105.47 2gq3 n GLY 569 Ca 0.15 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 2gq3 n GLY 569 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gq3 s LYS 570 N -0.41 3.58 -0.19 1.61 1.02 -0.85 -5.08 119.74 119.42 2gq3 s LYS 570 Ca 0.00 -0.52 -0.26 0.00 0.02 0.00 0.00 55.97 55.21 2gq3 s LYS 570 Cb 0.00 -3.17 -0.01 0.00 -0.52 0.00 0.00 37.83 34.13 2gq3 s LYS 570 CO 0.00 -0.12 0.86 0.50 -0.92 0.00 0.00 175.35 175.67 2gq3 s ARG 571 N 1.36 4.26 -0.01 1.68 3.00 -1.26 -4.81 118.95 123.17 2gq3 s ARG 571 Ca 0.05 1.05 0.07 0.00 -1.00 0.00 0.00 55.73 55.89 2gq3 s ARG 571 Cb -0.15 -3.60 -0.10 0.00 0.00 0.00 0.00 34.95 31.10 2gq3 s ARG 571 CO 0.01 -0.41 0.16 0.54 0.00 0.00 0.00 175.30 175.60 2gq3 n ARG 572 N 5.56 0.68 -4.79 5.12 1.74 -1.26 -5.03 116.66 118.67 2gq3 n ARG 572 Ca 0.06 -0.06 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 2gq3 n ARG 572 Cb 0.48 -1.13 -0.13 0.00 -1.02 0.00 0.00 32.46 30.66 2gq3 n ARG 572 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gq3 s ALA 573 N -2.39 2.49 0.20 7.54 0.00 -1.26 -4.99 121.76 123.35 2gq3 s ALA 573 Ca -0.02 -1.18 0.07 0.00 0.00 0.00 0.00 51.96 50.83 2gq3 s ALA 573 Cb 0.04 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 2gq3 s ALA 573 CO 0.28 0.56 0.06 0.95 0.00 0.00 0.00 175.76 177.61 2gq3 s THR 574 N -0.85 3.98 0.21 0.00 -4.23 -1.26 -4.94 115.64 108.56 2gq3 s THR 574 Ca 0.13 -1.40 -0.12 0.00 -1.18 0.00 0.00 61.69 59.12 2gq3 s THR 574 Cb -0.10 -3.05 0.21 0.00 1.34 0.00 0.00 72.50 70.89 2gq3 s THR 574 CO 0.03 -0.18 1.65 0.40 -0.54 0.00 0.00 174.62 175.98 2gq3 h ILE 575 N 2.13 0.45 -0.93 2.99 2.04 -1.99 -1.08 117.51 121.13 2gq3 h ILE 575 Ca -0.47 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.41 2gq3 h ILE 575 Cb 1.21 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 2gq3 h ILE 575 CO 0.60 0.01 0.60 -0.08 0.00 0.00 0.00 178.15 179.28 2gq3 h GLU 576 N 0.07 1.11 -0.77 2.37 4.81 -1.96 0.23 114.58 120.44 2gq3 h GLU 576 Ca 0.32 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 2gq3 h GLU 576 Cb 0.51 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 2gq3 h GLU 576 CO -0.57 0.73 0.50 1.96 -0.73 0.00 0.00 179.01 180.91 2gq3 h GLN 577 N 1.14 0.96 0.00 1.92 4.20 -1.64 -2.59 115.11 119.11 2gq3 h GLN 577 Ca 0.38 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.96 2gq3 h GLN 577 Cb 0.04 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 2gq3 h GLN 577 CO -0.13 0.64 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.27 2gq3 h LEU 578 N 0.99 0.00 -2.13 1.46 3.38 0.37 -2.64 115.31 116.74 2gq3 h LEU 578 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2gq3 h LEU 578 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2gq3 h LEU 578 CO -0.09 0.33 0.00 0.18 0.09 0.00 0.00 178.44 178.95 2gq3 n LEU 579 N -4.09 3.18 -4.61 1.67 4.77 -0.06 -4.75 117.00 113.11 2gq3 n LEU 579 Ca -0.02 -1.38 -0.43 0.00 -0.03 0.00 0.00 56.01 54.15 2gq3 n LEU 579 Cb 0.37 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 2gq3 n LEU 579 CO 0.38 0.69 1.12 -0.89 -1.33 0.00 0.00 177.39 177.36 2gq3 s THR 580 N -1.52 4.10 0.12 -5.08 2.01 -1.00 -4.98 115.64 109.29 2gq3 s THR 580 Ca 0.38 1.16 -0.30 0.00 0.31 0.00 0.00 61.69 63.23 2gq3 s THR 580 Cb 0.22 -4.35 -0.06 0.00 0.01 0.00 0.00 72.50 68.31 2gq3 s THR 580 CO 0.31 -0.78 0.99 -0.63 -0.69 0.00 0.00 174.62 173.82 2gq3 s ILE 581 N 4.77 4.37 -0.49 1.82 1.01 -1.26 -4.14 121.20 127.28 2gq3 s ILE 581 Ca 0.54 1.97 -0.06 0.00 0.00 0.00 0.00 60.65 63.11 2gq3 s ILE 581 Cb -0.12 -4.26 -0.17 0.00 0.01 0.00 0.00 42.46 37.93 2gq3 s ILE 581 CO 0.29 0.30 2.90 -0.81 0.00 0.00 0.00 174.94 177.63 2gq3 n PRO 582 N 2.75 2.15 -1.99 2.79 -0.04 -1.26 -4.92 135.00 134.47 2gq3 n PRO 582 Ca 0.03 -1.21 -0.41 0.00 -0.04 0.00 0.00 63.50 61.86 2gq3 n PRO 582 Cb 0.49 -2.18 -0.02 0.00 -0.04 0.00 0.00 33.50 31.74 2gq3 n PRO 582 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2gq3 s LEU 583 N 0.05 4.38 0.48 1.53 1.02 -1.26 -1.65 118.68 123.23 2gq3 s LEU 583 Ca 0.56 2.70 -0.21 0.00 0.02 0.00 0.00 54.13 57.20 2gq3 s LEU 583 Cb 0.22 -3.63 -0.08 0.00 0.02 0.00 0.00 46.19 42.73 2gq3 s LEU 583 CO -0.02 -0.72 1.07 0.00 0.02 0.00 0.00 176.35 176.70 2gq3 s ALA 584 N -0.05 2.88 0.00 4.21 0.00 -0.47 -4.64 121.76 123.69 2gq3 s ALA 584 Ca 0.59 0.70 0.00 0.00 0.00 0.00 0.00 51.96 53.25 2gq3 s ALA 584 Cb -0.42 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2gq3 s ALA 584 CO 0.44 -0.42 0.74 1.63 0.00 0.00 0.00 175.76 178.15 2gq3 n LYS 585 N -0.85 0.00 0.00 0.00 4.01 -1.26 -4.93 118.16 115.13 2gq3 n LYS 585 Ca 0.09 0.74 0.00 0.00 -0.51 0.00 0.00 58.31 58.63 2gq3 n LYS 585 Cb 0.51 -1.19 0.00 0.00 -0.51 0.00 0.00 35.03 33.84 2gq3 n LYS 585 CO 0.00 0.00 0.00 0.91 -1.11 0.00 0.00 177.40 177.20 2gq3 n TRP 589 N -2.23 0.00 -1.55 2.13 8.01 -1.26 -5.11 117.44 117.42 2gq3 n TRP 589 Ca 0.00 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.83 2gq3 n TRP 589 Cb 0.00 0.00 0.08 0.00 -2.01 0.00 0.00 31.31 29.38 2gq3 n TRP 589 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2gq3 s ALA 590 N 0.00 2.21 0.36 6.99 0.00 -1.26 -4.85 121.76 125.21 2gq3 s ALA 590 Ca 0.00 1.05 0.03 0.00 0.00 0.00 0.00 51.96 53.04 2gq3 s ALA 590 Cb 0.00 -3.52 0.67 0.00 0.00 0.00 0.00 23.12 20.28 2gq3 s ALA 590 CO 0.00 -1.79 2.01 -1.35 0.00 0.00 0.00 175.76 174.63 2gq3 h PRO 591 N 0.06 0.76 -0.06 0.00 0.11 -2.03 -1.10 132.00 129.75 2gq3 h PRO 591 Ca -0.49 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.58 2gq3 h PRO 591 Cb 1.32 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2gq3 h PRO 591 CO 0.51 0.52 0.06 0.38 -0.21 0.00 0.00 178.00 179.26 2gq3 h ASP 592 N 0.78 0.00 0.19 -2.05 -0.00 -1.99 -0.03 116.42 113.31 2gq3 h ASP 592 Ca 0.21 0.00 -0.30 0.00 -0.00 0.00 0.00 57.03 56.94 2gq3 h ASP 592 Cb -0.06 0.00 0.02 0.00 -0.00 0.00 0.00 39.33 39.29 2gq3 h ASP 592 CO -0.04 0.00 -1.42 -0.33 -0.00 0.00 0.00 179.24 177.45 2gq3 h GLU 593 N 0.00 0.40 -0.31 4.15 5.08 -1.59 -2.12 114.58 120.19 2gq3 h GLU 593 Ca 0.03 -0.68 -0.01 0.00 -1.00 0.00 0.00 59.36 57.70 2gq3 h GLU 593 Cb 0.14 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2gq3 h GLU 593 CO -0.00 1.33 0.17 0.82 -1.00 0.00 0.00 179.01 180.32 2gq3 h ILE 594 N -0.05 1.14 -0.24 3.13 2.04 -1.17 -1.94 117.51 120.42 2gq3 h ILE 594 Ca -0.27 -0.36 0.05 0.00 1.00 0.00 0.00 64.86 65.28 2gq3 h ILE 594 Cb 1.97 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 38.81 2gq3 h ILE 594 CO 0.18 0.14 -0.07 -0.09 0.00 0.00 0.00 178.15 178.31 2gq3 h ARG 595 N 0.38 -0.01 -0.19 2.37 9.65 -1.04 0.16 114.38 125.70 2gq3 h ARG 595 Ca 0.11 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 2gq3 h ARG 595 Cb 0.07 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 2gq3 h ARG 595 CO -0.02 -0.01 0.12 1.49 2.80 0.00 0.00 179.97 184.36 2gq3 h GLU 596 N -0.02 0.25 0.13 0.20 4.81 -1.38 0.32 114.58 118.90 2gq3 h GLU 596 Ca 0.12 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2gq3 h GLU 596 Cb 0.19 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2gq3 h GLU 596 CO -0.25 0.18 -0.12 1.49 -0.73 0.00 0.00 179.01 179.58 2gq3 h GLU 597 N 0.25 -0.26 0.22 1.92 4.57 -1.08 -1.25 114.58 118.96 2gq3 h GLU 597 Ca 0.07 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2gq3 h GLU 597 Cb -0.02 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2gq3 h GLU 597 CO -0.01 -0.17 -0.11 0.28 -1.18 0.00 0.00 179.01 177.82 2gq3 h VAL 598 N -0.27 0.83 -0.88 0.32 2.07 -0.36 -0.48 116.25 117.48 2gq3 h VAL 598 Ca 0.00 -0.28 0.12 0.00 0.82 0.00 0.00 66.70 67.36 2gq3 h VAL 598 Cb 0.25 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 2gq3 h VAL 598 CO -0.02 0.06 0.50 0.44 0.02 0.00 0.00 177.57 178.57 2gq3 h ASP 599 N -0.44 0.68 -0.21 0.57 5.19 -1.01 0.61 116.42 121.81 2gq3 h ASP 599 Ca -0.03 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 2gq3 h ASP 599 Cb 0.33 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 2gq3 h ASP 599 CO 0.05 0.34 0.08 -1.13 -3.12 0.00 0.00 179.24 175.46 2gq3 h ASN 600 N 0.77 0.30 -0.29 6.45 -1.24 -1.05 0.14 115.58 120.66 2gq3 h ASN 600 Ca 0.45 -0.18 -0.02 0.00 0.71 0.00 0.00 56.30 57.26 2gq3 h ASN 600 Cb 0.52 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.48 2gq3 h ASN 600 CO -0.30 0.40 0.09 0.78 -1.29 0.00 0.00 177.43 177.10 2gq3 h ASN 601 N 0.18 0.42 -0.35 1.15 2.35 -0.20 -2.08 115.58 117.06 2gq3 h ASN 601 Ca 0.07 -0.21 0.04 0.00 -0.55 0.00 0.00 56.30 55.65 2gq3 h ASN 601 Cb 0.20 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 2gq3 h ASN 601 CO -0.00 0.52 0.12 0.00 -1.65 0.00 0.00 177.43 176.42 2gq3 h GLN 603 N 0.27 0.84 -0.12 0.00 4.15 -0.53 0.36 115.11 120.09 2gq3 h GLN 603 Ca 0.16 -0.05 -0.22 0.00 0.77 0.00 0.00 58.65 59.31 2gq3 h GLN 603 Cb 0.13 -0.19 0.01 0.00 0.21 0.00 0.00 27.48 27.64 2gq3 h GLN 603 CO -0.16 0.56 -0.81 0.77 -1.93 0.00 0.00 178.83 177.26 2gq3 h SER 604 N 0.87 0.85 -0.03 -0.69 0.02 -1.12 -0.43 113.55 113.01 2gq3 h SER 604 Ca 0.28 -0.57 0.03 0.00 -0.84 0.00 0.00 61.79 60.68 2gq3 h SER 604 Cb -0.00 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.25 2gq3 h SER 604 CO -0.10 1.36 -0.16 0.40 -1.14 0.00 0.00 176.83 177.20 2gq3 h ILE 605 N 0.47 0.61 -0.51 3.27 2.04 -0.71 -2.77 117.51 119.91 2gq3 h ILE 605 Ca -0.06 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 2gq3 h ILE 605 Cb 1.43 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 2gq3 h ILE 605 CO 0.16 0.00 0.02 -0.07 0.00 0.00 0.00 178.15 178.26 2gq3 h LEU 606 N -0.24 0.86 -1.00 1.44 3.38 -0.68 0.13 115.31 119.20 2gq3 h LEU 606 Ca 0.06 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 2gq3 h LEU 606 Cb 0.33 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2gq3 h LEU 606 CO -0.18 0.94 -0.45 1.23 0.09 0.00 0.00 178.44 180.08 2gq3 h GLY 607 N 0.75 0.00 0.06 0.83 0.00 -1.09 -0.61 103.07 103.01 2gq3 h GLY 607 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 2gq3 h GLY 607 CO 0.02 0.00 -0.22 -1.82 0.00 0.00 0.00 176.54 174.53 2gq3 h TYR 608 N 0.00 0.05 -0.62 5.60 3.20 -1.26 -3.38 116.97 120.57 2gq3 h TYR 608 Ca -0.00 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.79 2gq3 h TYR 608 Cb 0.89 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 2gq3 h TYR 608 CO 0.00 1.08 0.23 0.28 -1.64 0.00 0.00 178.16 178.11 2gq3 h VAL 609 N -0.94 1.22 -0.14 1.81 2.07 -0.56 -2.18 116.25 117.53 2gq3 h VAL 609 Ca -0.05 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 2gq3 h VAL 609 Cb 1.09 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2gq3 h VAL 609 CO -0.01 0.29 -0.16 1.62 0.02 0.00 0.00 177.57 179.33 2gq3 h VAL 610 N 0.89 1.19 0.00 2.57 3.04 -1.30 0.49 116.25 123.13 2gq3 h VAL 610 Ca 0.21 -0.84 -0.24 0.00 -1.01 0.00 0.00 66.70 64.82 2gq3 h VAL 610 Cb 0.20 1.26 -0.04 0.00 -2.01 0.00 0.00 31.29 30.71 2gq3 h VAL 610 CO -0.02 0.26 -1.34 0.03 -1.01 0.00 0.00 177.57 175.49 2gq3 h ARG 611 N 0.21 0.00 0.79 4.17 3.08 -1.70 -1.36 114.38 119.56 2gq3 h ARG 611 Ca 0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 2gq3 h ARG 611 Cb 0.41 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.47 2gq3 h ARG 611 CO 0.03 0.65 -0.38 2.35 -1.07 0.00 0.00 179.97 181.55 2gq3 h TRP 612 N 0.00 -0.98 -0.05 3.04 7.01 -0.73 -1.90 115.95 122.34 2gq3 h TRP 612 Ca -0.16 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 60.80 2gq3 h TRP 612 Cb 1.84 0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 29.22 2gq3 h TRP 612 CO 0.00 -0.59 -0.07 0.28 -2.79 0.00 0.00 178.44 175.27 2gq3 h VAL 613 N -1.14 1.40 0.00 2.65 2.07 -0.16 0.11 116.25 121.17 2gq3 h VAL 613 Ca -0.11 -1.29 -0.18 0.00 0.82 0.00 0.00 66.70 65.94 2gq3 h VAL 613 Cb 0.82 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 2gq3 h VAL 613 CO 0.18 0.35 -0.85 0.44 0.02 0.00 0.00 177.57 177.71 2gq3 h ASP 614 N -0.34 0.00 0.00 0.57 5.19 -1.39 -3.38 116.42 117.07 2gq3 h ASP 614 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2gq3 h ASP 614 Cb 0.60 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.11 2gq3 h ASP 614 CO 0.02 0.85 0.00 0.00 -3.12 0.00 0.00 179.24 176.99 2gq3 n GLN 615 N -3.46 1.07 -2.80 3.56 6.02 -0.77 -5.01 117.38 115.99 2gq3 n GLN 615 Ca -0.00 -0.31 -0.18 0.00 -0.01 0.00 0.00 57.00 56.49 2gq3 n GLN 615 Cb 0.83 -0.80 0.02 0.00 1.02 0.00 0.00 30.24 31.32 2gq3 n GLN 615 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2gq3 n GLY 616 N 0.24 -0.33 3.53 1.08 0.00 0.39 -4.94 105.19 105.16 2gq3 n GLY 616 Ca 0.00 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 2gq3 n GLY 616 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gq3 s VAL 617 N -3.04 5.05 -2.50 1.61 1.01 -0.84 -4.30 120.40 117.40 2gq3 s VAL 617 Ca 0.21 -0.09 0.25 0.00 0.00 0.00 0.00 61.98 62.35 2gq3 s VAL 617 Cb -0.09 -3.48 0.22 0.00 0.00 0.00 0.00 36.38 33.02 2gq3 s VAL 617 CO 0.26 0.16 1.35 0.61 0.00 0.00 0.00 175.10 177.47 2gq3 n GLY 618 N 5.04 0.36 2.77 4.51 0.00 -1.24 -2.90 105.19 113.72 2gq3 n GLY 618 Ca -0.14 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 2gq3 n GLY 618 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gq3 s SER 620 N 1.78 0.86 -0.26 0.00 0.01 -0.92 -4.96 113.70 110.21 2gq3 s SER 620 Ca 0.01 -0.59 -0.23 0.00 1.31 0.00 0.00 55.95 56.45 2gq3 s SER 620 Cb -0.13 0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.14 2gq3 s SER 620 CO -0.04 -0.23 0.77 -0.75 0.41 0.00 0.00 173.24 173.40 2gq3 s LYS 621 N -1.78 4.12 -0.14 12.44 2.20 -1.26 0.54 119.74 135.86 2gq3 s LYS 621 Ca -0.08 0.77 -0.02 0.00 -0.36 0.00 0.00 55.97 56.28 2gq3 s LYS 621 Cb -0.09 -3.66 0.04 0.00 -1.51 0.00 0.00 37.83 32.61 2gq3 s LYS 621 CO -0.00 -0.52 0.01 0.08 -0.36 0.00 0.00 175.35 174.56 2gq3 s VAL 622 N 2.78 0.48 0.25 4.02 1.01 -0.48 -4.94 120.40 123.52 2gq3 s VAL 622 Ca 0.32 -0.24 -0.31 0.00 0.00 0.00 0.00 61.98 61.75 2gq3 s VAL 622 Cb -0.15 -0.81 -0.12 0.00 0.00 0.00 0.00 36.38 35.30 2gq3 s VAL 622 CO 0.09 0.03 1.65 -2.84 0.00 0.00 0.00 175.10 174.03 2gq3 s PRO 623 N 1.90 4.12 0.00 2.72 0.02 -1.26 -1.70 135.00 140.80 2gq3 s PRO 623 Ca 0.02 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.63 2gq3 s PRO 623 Cb -0.15 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.33 2gq3 s PRO 623 CO -0.07 -0.69 0.00 -0.40 -0.33 0.00 0.00 177.00 175.51 2gq3 n ASP 624 N 3.04 0.00 0.30 2.53 5.68 0.32 -4.80 116.55 123.62 2gq3 n ASP 624 Ca 0.12 -0.89 0.16 0.00 -0.50 0.00 0.00 54.79 53.68 2gq3 n ASP 624 Cb 0.36 0.00 0.93 0.00 -1.14 0.00 0.00 41.12 41.28 2gq3 n ASP 624 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2gq3 h ILE 625 N -0.81 0.42 -0.65 2.12 6.09 -1.90 -0.34 117.51 122.45 2gq3 h ILE 625 Ca 0.00 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.36 2gq3 h ILE 625 Cb 0.00 1.09 0.00 0.00 0.47 0.00 0.00 36.82 38.38 2gq3 h ILE 625 CO 0.00 0.03 0.00 1.41 -3.07 0.00 0.00 178.15 176.52 2gq3 n HIS 626 N -3.63 1.16 -1.76 2.19 8.25 -1.26 -4.94 115.22 115.23 2gq3 n HIS 626 Ca -0.03 -0.51 -0.18 0.00 -0.26 0.00 0.00 57.72 56.75 2gq3 n HIS 626 Cb 0.12 -0.12 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 2gq3 n HIS 626 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2gq3 n ASP 627 N 1.27 -5.12 -4.65 0.41 8.00 -0.14 -4.99 116.55 111.33 2gq3 n ASP 627 Ca 0.23 0.30 -0.41 0.00 0.71 0.00 0.00 54.79 55.62 2gq3 n ASP 627 Cb 0.71 -4.18 -0.05 0.00 -0.02 0.00 0.00 41.12 37.58 2gq3 n ASP 627 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2gq3 s VAL 628 N -2.72 4.90 -0.31 2.53 1.01 -1.26 -4.73 120.40 119.82 2gq3 s VAL 628 Ca 0.00 1.43 -0.29 0.00 0.00 0.00 0.00 61.98 63.12 2gq3 s VAL 628 Cb 0.00 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 2gq3 s VAL 628 CO 0.00 -0.01 1.68 0.00 0.00 0.00 0.00 175.10 176.77 2gq3 s ALA 629 N 2.53 3.01 -0.13 5.51 0.00 -1.26 -0.52 121.76 130.89 2gq3 s ALA 629 Ca 0.33 0.24 -0.03 0.00 0.00 0.00 0.00 51.96 52.49 2gq3 s ALA 629 Cb -0.16 -3.96 -0.03 0.00 0.00 0.00 0.00 23.12 18.98 2gq3 s ALA 629 CO 0.09 -2.40 -0.01 -0.51 0.00 0.00 0.00 175.76 172.93 2gq3 s LEU 630 N 6.16 3.48 -0.09 0.00 1.43 -0.69 -3.04 118.68 125.93 2gq3 s LEU 630 Ca 0.74 0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 53.57 2gq3 s LEU 630 Cb -0.21 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 2gq3 s LEU 630 CO 0.32 0.26 1.65 -0.32 0.23 0.00 0.00 176.35 178.49 2gq3 s MET 631 N -0.18 4.09 -0.15 1.70 -2.45 0.75 -1.38 119.30 121.69 2gq3 s MET 631 Ca 0.05 2.08 -0.05 0.00 -1.25 0.00 0.00 55.69 56.52 2gq3 s MET 631 Cb -0.13 -4.00 -0.03 0.00 1.25 0.00 0.00 34.83 31.92 2gq3 s MET 631 CO 0.02 -0.94 0.01 -1.21 1.05 0.00 0.00 175.02 173.95 2gq3 s GLU 632 N 4.18 3.64 0.00 4.11 0.41 0.19 -4.93 118.70 126.30 2gq3 s GLU 632 Ca 0.73 -0.42 0.00 0.00 -0.41 0.00 0.00 54.97 54.87 2gq3 s GLU 632 Cb -0.32 -3.01 -0.00 0.00 -1.78 0.00 0.00 34.13 29.03 2gq3 s GLU 632 CO 0.29 0.36 0.00 -0.40 -0.49 0.00 0.00 175.26 175.02 2gq3 n ASP 633 N 3.22 0.24 0.22 -0.19 5.75 -1.26 -2.16 116.55 122.37 2gq3 n ASP 633 Ca -0.17 -1.02 0.09 0.00 -0.01 0.00 0.00 54.79 53.68 2gq3 n ASP 633 Cb 0.53 0.01 0.63 0.00 -1.03 0.00 0.00 41.12 41.26 2gq3 n ASP 633 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2gq3 h ARG 634 N 0.00 0.03 -0.28 0.11 3.08 -1.75 -2.37 114.38 113.20 2gq3 h ARG 634 Ca -0.00 -0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 2gq3 h ARG 634 Cb 0.01 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2gq3 h ARG 634 CO 0.00 0.02 -0.32 0.00 -1.07 0.00 0.00 179.97 178.60 2gq3 h ALA 635 N 1.96 0.41 -0.27 0.04 0.00 -1.94 0.43 119.26 119.89 2gq3 h ALA 635 Ca 0.04 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 2gq3 h ALA 635 Cb 0.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2gq3 h ALA 635 CO -0.00 0.45 -0.22 1.79 0.00 0.00 0.00 179.25 181.26 2gq3 h THR 636 N 0.44 1.26 -0.27 0.00 1.35 -1.81 -2.16 112.91 111.71 2gq3 h THR 636 Ca 0.04 -1.22 0.02 0.00 -0.55 0.00 0.00 66.41 64.70 2gq3 h THR 636 Cb 0.89 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 68.59 2gq3 h THR 636 CO 0.08 0.39 0.14 0.25 -0.25 0.00 0.00 175.52 176.13 2gq3 h LEU 637 N 0.44 0.21 -0.91 3.87 5.85 -1.22 -2.52 115.31 121.04 2gq3 h LEU 637 Ca 0.07 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.95 2gq3 h LEU 637 Cb 0.63 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.53 2gq3 h LEU 637 CO 0.05 0.16 0.51 -0.09 -0.34 0.00 0.00 178.44 178.72 2gq3 h ARG 638 N 0.29 0.68 0.42 1.25 2.43 0.37 -0.70 114.38 119.13 2gq3 h ARG 638 Ca 0.11 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2gq3 h ARG 638 Cb 0.03 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2gq3 h ARG 638 CO -0.07 0.45 -0.20 0.82 -1.51 0.00 0.00 179.97 179.46 2gq3 h ILE 639 N 0.70 0.40 -0.71 1.20 2.04 -1.07 -1.92 117.51 118.15 2gq3 h ILE 639 Ca 0.50 -0.58 0.10 0.00 1.00 0.00 0.00 64.86 65.89 2gq3 h ILE 639 Cb 0.70 0.59 -0.08 0.00 -0.74 0.00 0.00 36.82 37.30 2gq3 h ILE 639 CO -0.36 0.07 0.34 0.28 0.00 0.00 0.00 178.15 178.48 2gq3 h SER 640 N -0.98 0.41 0.34 1.72 0.02 -1.29 0.21 113.55 113.98 2gq3 h SER 640 Ca -0.06 0.07 -0.23 0.00 -0.84 0.00 0.00 61.79 60.73 2gq3 h SER 640 Cb 0.56 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2gq3 h SER 640 CO 0.09 0.22 -0.97 0.77 -1.14 0.00 0.00 176.83 175.80 2gq3 h SER 641 N 0.56 0.55 -0.41 3.07 4.64 -1.19 -2.40 113.55 118.37 2gq3 h SER 641 Ca 0.36 -0.45 -0.15 0.00 -0.47 0.00 0.00 61.79 61.08 2gq3 h SER 641 Cb 0.43 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 2gq3 h SER 641 CO -0.30 1.26 -0.34 1.56 -0.87 0.00 0.00 176.83 178.14 2gq3 h GLN 642 N 0.23 0.94 -0.13 4.77 1.08 -1.04 -1.10 115.11 119.87 2gq3 h GLN 642 Ca -0.09 -0.47 -0.01 0.00 -1.45 0.00 0.00 58.65 56.63 2gq3 h GLN 642 Cb 1.62 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 29.05 2gq3 h GLN 642 CO 0.17 1.13 0.06 1.25 -0.95 0.00 0.00 178.83 180.49 2gq3 h LEU 643 N 0.77 0.17 -1.18 1.46 7.12 -0.58 0.53 115.31 123.61 2gq3 h LEU 643 Ca 0.07 -0.15 -0.04 0.00 0.13 0.00 0.00 57.88 57.90 2gq3 h LEU 643 Cb 0.93 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.99 2gq3 h LEU 643 CO 0.09 0.27 0.13 -0.07 -0.13 0.00 0.00 178.44 178.73 2gq3 h LEU 644 N 0.06 0.65 -0.83 2.25 3.38 -1.44 0.12 115.31 119.52 2gq3 h LEU 644 Ca 0.04 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 2gq3 h LEU 644 Cb 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2gq3 h LEU 644 CO -0.00 0.64 -0.27 0.00 0.09 0.00 0.00 178.44 178.89 2gq3 h ALA 645 N 1.46 1.00 -0.17 1.53 0.00 -0.76 -0.36 119.26 121.96 2gq3 h ALA 645 Ca 0.16 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2gq3 h ALA 645 Cb 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2gq3 h ALA 645 CO -0.01 0.59 -0.06 -0.97 0.00 0.00 0.00 179.25 178.81 2gq3 h ASN 646 N 0.50 0.34 -0.96 0.00 -0.73 -0.34 0.12 115.58 114.51 2gq3 h ASN 646 Ca 0.07 -0.39 0.08 0.00 1.87 0.00 0.00 56.30 57.92 2gq3 h ASN 646 Cb 0.73 -0.09 -0.07 0.00 0.27 0.00 0.00 38.32 39.15 2gq3 h ASN 646 CO 0.06 0.66 0.60 -0.50 -0.37 0.00 0.00 177.43 177.88 2gq3 h TRP 647 N 0.02 1.11 -0.36 0.67 4.06 -0.63 -2.53 115.95 118.29 2gq3 h TRP 647 Ca 0.04 0.03 -0.10 0.00 2.06 0.00 0.00 58.89 60.92 2gq3 h TRP 647 Cb 0.52 -0.36 -0.01 0.00 -1.00 0.00 0.00 29.16 28.32 2gq3 h TRP 647 CO 0.06 0.53 -0.17 1.25 -3.56 0.00 0.00 178.44 176.54 2gq3 h LEU 648 N 1.05 0.78 -1.19 -4.49 5.85 -0.96 -1.01 115.31 115.34 2gq3 h LEU 648 Ca 0.43 -0.40 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2gq3 h LEU 648 Cb 0.27 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 2gq3 h LEU 648 CO -0.20 1.01 0.56 -0.09 -0.34 0.00 0.00 178.44 179.38 2gq3 h ARG 649 N 0.55 0.95 -0.56 1.25 9.65 -0.47 -2.60 114.38 123.15 2gq3 h ARG 649 Ca 0.08 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2gq3 h ARG 649 Cb 0.71 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 2gq3 h ARG 649 CO 0.05 0.63 0.00 0.72 2.80 0.00 0.00 179.97 184.17 2gq3 n HIS 650 N -4.48 0.75 -1.02 2.20 8.25 -0.98 -4.96 115.22 114.98 2gq3 n HIS 650 Ca 0.13 -0.41 -0.01 0.00 -0.26 0.00 0.00 57.72 57.17 2gq3 n HIS 650 Cb 0.19 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.29 2gq3 n HIS 650 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2gq3 n GLY 651 N 1.43 0.45 0.22 -1.41 0.00 -0.80 -4.90 105.19 100.18 2gq3 n GLY 651 Ca 0.21 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 2gq3 n GLY 651 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2gq3 h VAL 652 N 0.00 1.31 -3.54 1.61 2.07 -1.47 -3.45 116.25 112.78 2gq3 h VAL 652 Ca -0.01 -1.84 -0.33 0.00 0.82 0.00 0.00 66.70 65.34 2gq3 h VAL 652 Cb 0.05 1.79 -0.16 0.00 -1.52 0.00 0.00 31.29 31.45 2gq3 h VAL 652 CO 0.02 0.58 -0.72 0.27 0.02 0.00 0.00 177.57 177.73 2gq3 s ILE 653 N -3.96 1.09 0.43 4.57 -4.36 -1.19 -5.02 121.20 112.75 2gq3 s ILE 653 Ca -0.08 -1.88 0.08 0.00 -0.26 0.00 0.00 60.65 58.50 2gq3 s ILE 653 Cb 0.11 -1.65 -0.01 0.00 1.25 0.00 0.00 42.46 42.16 2gq3 s ILE 653 CO 0.86 -0.66 0.45 0.42 0.24 0.00 0.00 174.94 176.25 2gq3 s THR 654 N -2.93 2.72 0.13 8.37 -4.23 -1.26 -4.33 115.64 114.10 2gq3 s THR 654 Ca 0.12 -1.23 -0.21 0.00 -1.18 0.00 0.00 61.69 59.19 2gq3 s THR 654 Cb 0.00 -2.95 -0.02 0.00 1.34 0.00 0.00 72.50 70.87 2gq3 s THR 654 CO 0.00 0.00 1.69 0.28 -0.54 0.00 0.00 174.62 176.05 2gq3 h SER 655 N 0.88 -0.30 -0.99 3.99 0.02 -2.00 -1.05 113.55 114.10 2gq3 h SER 655 Ca -0.40 0.07 0.19 0.00 -0.84 0.00 0.00 61.79 60.80 2gq3 h SER 655 Cb 1.27 0.16 -0.10 0.00 0.14 0.00 0.00 62.40 63.88 2gq3 h SER 655 CO 0.53 -0.12 0.61 0.00 -1.14 0.00 0.00 176.83 176.72 2gq3 h ALA 656 N 1.07 1.75 -0.13 3.77 0.00 -1.99 -0.26 119.26 123.47 2gq3 h ALA 656 Ca 0.10 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2gq3 h ALA 656 Cb 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2gq3 h ALA 656 CO -0.22 -0.10 0.08 -0.44 0.00 0.00 0.00 179.25 178.57 2gq3 h ASP 657 N 0.73 0.16 -0.25 0.00 3.32 -1.61 -0.15 116.42 118.63 2gq3 h ASP 657 Ca 0.56 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.56 2gq3 h ASP 657 Cb 0.91 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 2gq3 h ASP 657 CO -0.34 0.16 0.16 0.58 -1.72 0.00 0.00 179.24 178.08 2gq3 h VAL 658 N 0.14 1.07 -0.63 -1.35 2.07 -0.74 -1.33 116.25 115.49 2gq3 h VAL 658 Ca 0.05 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2gq3 h VAL 658 Cb 0.03 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2gq3 h VAL 658 CO -0.01 0.07 0.40 -0.09 0.02 0.00 0.00 177.57 177.96 2gq3 h ARG 659 N 0.33 0.83 -0.40 1.57 9.65 -0.80 -0.88 114.38 124.69 2gq3 h ARG 659 Ca 0.09 -0.06 -0.09 0.00 -1.10 0.00 0.00 59.98 58.82 2gq3 h ARG 659 Cb -0.03 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.35 2gq3 h ARG 659 CO -0.02 0.57 -0.12 0.00 2.80 0.00 0.00 179.97 183.20 2gq3 h ALA 660 N 1.22 1.04 -0.25 2.80 0.00 -0.79 0.48 119.26 123.76 2gq3 h ALA 660 Ca 0.23 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 2gq3 h ALA 660 Cb -0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2gq3 h ALA 660 CO -0.05 0.58 -0.40 1.03 0.00 0.00 0.00 179.25 180.41 2gq3 h SER 661 N 0.64 0.63 -0.19 0.00 0.87 -0.71 -0.44 113.55 114.36 2gq3 h SER 661 Ca 0.11 -0.28 -0.16 0.00 -1.23 0.00 0.00 61.79 60.23 2gq3 h SER 661 Cb 0.58 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2gq3 h SER 661 CO 0.04 0.96 -0.48 0.25 -0.53 0.00 0.00 176.83 177.07 2gq3 h LEU 662 N 0.49 0.82 -0.62 2.23 5.85 -0.41 -1.42 115.31 122.25 2gq3 h LEU 662 Ca 0.04 -0.41 -0.14 0.00 0.84 0.00 0.00 57.88 58.21 2gq3 h LEU 662 Cb 0.91 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 2gq3 h LEU 662 CO 0.08 1.16 -0.46 -0.33 -0.34 0.00 0.00 178.44 178.56 2gq3 h GLU 663 N 0.60 0.55 -0.85 1.25 5.08 -0.56 -0.99 114.58 119.66 2gq3 h GLU 663 Ca 0.03 -0.31 0.11 0.00 -1.00 0.00 0.00 59.36 58.19 2gq3 h GLU 663 Cb 1.04 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.23 2gq3 h GLU 663 CO 0.10 0.90 0.48 0.00 -1.00 0.00 0.00 179.01 179.49 2gq3 h ARG 664 N 0.45 0.76 0.00 2.33 3.08 -0.63 -3.34 114.38 117.03 2gq3 h ARG 664 Ca 0.03 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 2gq3 h ARG 664 Cb 0.97 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 2gq3 h ARG 664 CO 0.09 0.50 -2.07 -1.33 -1.07 0.00 0.00 179.97 176.09 2gq3 n MET 665 N -4.75 0.68 0.01 0.04 2.81 -0.58 -4.20 117.12 111.12 2gq3 n MET 665 Ca 0.15 -0.15 -0.10 0.00 -1.81 0.00 0.00 57.70 55.79 2gq3 n MET 665 Cb 0.31 -1.51 -0.03 0.00 -0.71 0.00 0.00 33.22 31.29 2gq3 n MET 665 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2gq3 h ALA 666 N 1.70 -0.15 -0.21 3.04 0.00 -1.30 -0.65 119.26 121.68 2gq3 h ALA 666 Ca -0.14 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2gq3 h ALA 666 Cb 1.29 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2gq3 h ALA 666 CO 0.01 -0.65 0.18 -1.35 0.00 0.00 0.00 179.25 177.43 2gq3 h PRO 667 N -0.26 0.00 -0.17 0.00 0.11 -1.73 -1.00 132.00 128.96 2gq3 h PRO 667 Ca 0.09 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.06 2gq3 h PRO 667 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.50 2gq3 h PRO 667 CO -0.26 0.00 -0.43 -0.07 -0.21 0.00 0.00 178.00 177.03 2gq3 h LEU 668 N 0.00 0.67 -1.03 2.35 3.38 -1.37 -1.40 115.31 117.91 2gq3 h LEU 668 Ca 0.10 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 2gq3 h LEU 668 Cb 0.46 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2gq3 h LEU 668 CO -0.00 1.13 0.41 0.58 0.09 0.00 0.00 178.44 180.65 2gq3 h VAL 669 N 0.25 1.24 -0.57 1.22 2.07 -0.21 0.20 116.25 120.44 2gq3 h VAL 669 Ca -0.01 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2gq3 h VAL 669 Cb 1.05 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2gq3 h VAL 669 CO 0.09 0.27 0.36 0.44 0.02 0.00 0.00 177.57 178.75 2gq3 h ASP 670 N 1.10 0.67 -0.45 0.57 3.32 -1.12 -1.60 116.42 118.91 2gq3 h ASP 670 Ca 0.27 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 2gq3 h ASP 670 Cb 0.05 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2gq3 h ASP 670 CO -0.04 0.51 0.20 0.03 -1.72 0.00 0.00 179.24 178.22 2gq3 h ARG 671 N 0.77 0.66 -0.52 3.56 3.08 -0.59 -1.74 114.38 119.61 2gq3 h ARG 671 Ca 0.21 -0.11 0.11 0.00 0.07 0.00 0.00 59.98 60.26 2gq3 h ARG 671 Cb -0.05 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 2gq3 h ARG 671 CO -0.04 0.58 0.36 1.96 -1.07 0.00 0.00 179.97 181.76 2gq3 h GLN 672 N 0.59 0.20 -0.03 0.04 4.20 -0.59 -2.69 115.11 116.84 2gq3 h GLN 672 Ca 0.15 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2gq3 h GLN 672 Cb 0.15 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2gq3 h GLN 672 CO -0.02 0.13 -0.06 0.09 -0.67 0.00 0.00 178.83 178.31 2gq3 n ASN 673 N -4.44 2.67 -4.73 1.46 3.02 -0.64 -4.95 115.26 107.64 2gq3 n ASN 673 Ca 0.09 -1.86 -0.33 0.00 -0.03 0.00 0.00 54.58 52.44 2gq3 n ASN 673 Cb 0.44 0.06 0.09 0.00 -0.61 0.00 0.00 39.78 39.76 2gq3 n ASN 673 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gq3 s ALA 674 N -2.06 2.13 0.00 5.41 0.00 -0.69 -2.21 121.76 124.34 2gq3 s ALA 674 Ca 0.28 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.95 2gq3 s ALA 674 Cb 0.20 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2gq3 s ALA 674 CO 0.34 -1.83 0.00 0.41 0.00 0.00 0.00 175.76 174.68 2gq3 n GLY 675 N 0.00 2.85 3.52 0.00 0.00 -1.26 -4.92 105.19 105.39 2gq3 n GLY 675 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2gq3 n GLY 675 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gq3 s ASP 676 N -3.18 6.32 0.59 1.61 -1.08 -0.94 -4.95 116.67 115.05 2gq3 s ASP 676 Ca 0.00 -0.38 0.29 0.00 -0.52 0.00 0.00 52.55 51.94 2gq3 s ASP 676 Cb 0.00 -2.46 1.76 0.00 -1.46 0.00 0.00 42.92 40.76 2gq3 s ASP 676 CO 0.00 -1.33 2.18 1.62 0.52 0.00 0.00 175.17 178.16 2gq3 h VAL 677 N 6.03 0.48 -0.01 1.11 3.04 -1.91 -1.18 116.25 123.82 2gq3 h VAL 677 Ca -0.26 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.43 2gq3 h VAL 677 Cb 1.07 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 2gq3 h VAL 677 CO 1.13 0.00 -0.21 0.00 -1.01 0.00 0.00 177.57 177.47 2gq3 n ALA 678 N -2.32 2.98 -1.76 3.17 0.00 -1.26 -4.89 120.51 116.43 2gq3 n ALA 678 Ca -0.01 -0.35 -0.40 0.00 0.00 0.00 0.00 53.44 52.68 2gq3 n ALA 678 Cb 0.20 -1.21 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 2gq3 n ALA 678 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2gq3 s TYR 679 N -2.52 3.99 -0.15 0.00 5.04 -0.45 -5.03 117.35 118.22 2gq3 s TYR 679 Ca 0.25 1.91 0.02 0.00 -2.44 0.00 0.00 57.07 56.81 2gq3 s TYR 679 Cb 0.19 -2.97 0.01 0.00 0.35 0.00 0.00 41.96 39.54 2gq3 s TYR 679 CO 0.51 0.46 -0.21 -0.98 -1.34 0.00 0.00 175.55 173.99 2gq3 s ARG 680 N -1.17 3.03 0.54 4.97 1.70 -1.26 -5.02 118.95 121.74 2gq3 s ARG 680 Ca 0.41 -0.84 -0.22 0.00 -0.47 0.00 0.00 55.73 54.62 2gq3 s ARG 680 Cb -0.26 -2.49 -0.05 0.00 -0.57 0.00 0.00 34.95 31.58 2gq3 s ARG 680 CO 0.32 -0.07 1.32 -1.25 -1.08 0.00 0.00 175.30 174.53 2gq3 s PRO 681 N 0.96 3.20 0.12 3.89 0.04 -1.26 -4.96 135.00 136.99 2gq3 s PRO 681 Ca -0.03 2.14 0.01 0.00 0.04 0.00 0.00 61.00 63.16 2gq3 s PRO 681 Cb -0.15 -2.24 -0.16 0.00 0.04 0.00 0.00 34.50 31.99 2gq3 s PRO 681 CO -0.05 -1.11 1.27 0.52 0.04 0.00 0.00 177.00 177.67 2gq3 h MET 682 N 1.48 0.17 -6.12 4.56 2.86 -1.94 -3.47 114.93 112.46 2gq3 h MET 682 Ca -0.51 -0.24 -0.58 0.00 -2.06 0.00 0.00 59.70 56.31 2gq3 h MET 682 Cb 1.29 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 33.00 2gq3 h MET 682 CO 0.57 1.06 -0.35 0.00 1.06 0.00 0.00 176.91 179.25 2gq3 s ALA 683 N -2.88 3.84 -2.86 6.32 0.00 -1.26 -3.19 121.76 121.72 2gq3 s ALA 683 Ca -0.02 -0.65 0.25 0.00 0.00 0.00 0.00 51.96 51.54 2gq3 s ALA 683 Cb 0.09 -2.05 0.38 0.00 0.00 0.00 0.00 23.12 21.54 2gq3 s ALA 683 CO 0.84 0.68 1.37 -0.35 0.00 0.00 0.00 175.76 178.30 2gq3 n PRO 684 N 0.03 2.20 -2.74 0.00 -0.04 -1.26 -4.98 135.00 128.22 2gq3 n PRO 684 Ca -0.03 -1.75 -0.43 0.00 -0.04 0.00 0.00 63.50 61.25 2gq3 n PRO 684 Cb 0.52 -1.47 0.01 0.00 -0.04 0.00 0.00 33.50 32.52 2gq3 n PRO 684 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2gq3 n ASN 685 N 1.11 5.72 -0.21 3.54 3.02 -1.19 -4.85 115.26 122.41 2gq3 n ASN 685 Ca 0.15 -3.23 -0.06 0.00 -0.03 0.00 0.00 54.58 51.41 2gq3 n ASN 685 Cb 0.55 -1.39 0.03 0.00 -0.61 0.00 0.00 39.78 38.37 2gq3 n ASN 685 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 2gq3 h PHE 686 N 5.75 0.76 0.00 3.10 -1.00 -1.94 -1.23 116.94 122.39 2gq3 h PHE 686 Ca 0.29 0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.07 2gq3 h PHE 686 Cb 0.65 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 39.96 2gq3 h PHE 686 CO 1.11 0.51 0.00 -0.25 -1.61 0.00 0.00 178.31 178.06 2gq3 n ASP 687 N -4.64 0.15 -1.06 2.17 10.43 -1.26 -1.51 116.55 120.83 2gq3 n ASP 687 Ca 0.04 0.54 0.08 0.00 2.57 0.00 0.00 54.79 58.02 2gq3 n ASP 687 Cb 0.04 -0.57 0.24 0.00 1.84 0.00 0.00 41.12 42.68 2gq3 n ASP 687 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 2gq3 n ASP 688 N -1.67 3.07 -4.30 -2.24 -0.08 -0.47 -4.82 116.55 106.04 2gq3 n ASP 688 Ca 0.03 -2.09 -0.36 0.00 -1.51 0.00 0.00 54.79 50.87 2gq3 n ASP 688 Cb 0.20 -0.39 -0.13 0.00 2.34 0.00 0.00 41.12 43.13 2gq3 n ASP 688 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2gq3 s SER 689 N -0.94 4.86 0.14 1.67 0.15 -0.57 -4.94 113.70 114.07 2gq3 s SER 689 Ca 0.36 -0.74 -0.11 0.00 0.70 0.00 0.00 55.95 56.16 2gq3 s SER 689 Cb 0.20 -1.81 -0.03 0.00 -1.71 0.00 0.00 66.02 62.67 2gq3 s SER 689 CO 0.23 -0.16 1.50 0.40 1.20 0.00 0.00 173.24 176.40 2gq3 h ILE 690 N 5.94 1.27 -0.64 6.45 2.04 -1.87 -0.64 117.51 130.07 2gq3 h ILE 690 Ca -0.32 -1.44 -0.03 0.00 1.00 0.00 0.00 64.86 64.07 2gq3 h ILE 690 Cb 1.12 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 2gq3 h ILE 690 CO 0.59 0.49 0.29 0.00 0.00 0.00 0.00 178.15 179.52 2gq3 h ALA 691 N 0.81 0.82 -0.46 1.87 0.00 -1.92 0.25 119.26 120.64 2gq3 h ALA 691 Ca 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2gq3 h ALA 691 Cb 0.86 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2gq3 h ALA 691 CO 0.08 0.40 0.22 0.35 0.00 0.00 0.00 179.25 180.29 2gq3 h PHE 692 N 0.88 0.66 -0.81 0.00 3.57 -1.77 -1.74 116.94 117.73 2gq3 h PHE 692 Ca 0.22 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 2gq3 h PHE 692 Cb 0.14 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 2gq3 h PHE 692 CO 0.00 0.53 0.50 -0.07 -2.23 0.00 0.00 178.31 177.05 2gq3 h LEU 693 N 0.59 0.95 -0.59 0.59 3.38 -0.86 -0.34 115.31 119.04 2gq3 h LEU 693 Ca 0.16 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2gq3 h LEU 693 Cb 0.12 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2gq3 h LEU 693 CO -0.02 0.72 0.37 0.00 0.09 0.00 0.00 178.44 179.60 2gq3 h ALA 694 N 1.45 0.76 -0.37 1.53 0.00 -0.03 0.63 119.26 123.23 2gq3 h ALA 694 Ca 0.29 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 2gq3 h ALA 694 Cb -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2gq3 h ALA 694 CO -0.06 0.13 -0.38 0.00 0.00 0.00 0.00 179.25 178.95 2gq3 h ALA 695 N 1.24 0.64 -0.13 0.00 0.00 -0.66 -0.46 119.26 119.89 2gq3 h ALA 695 Ca 0.23 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2gq3 h ALA 695 Cb -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2gq3 h ALA 695 CO -0.08 0.67 0.07 0.37 0.00 0.00 0.00 179.25 180.29 2gq3 h GLN 696 N 0.72 0.19 -0.71 0.00 4.15 -0.93 -2.94 115.11 115.58 2gq3 h GLN 696 Ca 0.06 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 2gq3 h GLN 696 Cb 0.95 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.57 2gq3 h GLN 696 CO 0.09 0.20 0.37 1.49 -1.93 0.00 0.00 178.83 179.05 2gq3 h GLU 697 N 0.12 1.01 -0.32 1.69 4.81 -0.63 0.17 114.58 121.43 2gq3 h GLU 697 Ca 0.05 -0.13 0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2gq3 h GLU 697 Cb 0.07 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2gq3 h GLU 697 CO -0.01 0.77 0.22 -0.07 -0.73 0.00 0.00 179.01 179.19 2gq3 h LEU 698 N 0.99 0.19 0.00 1.64 3.38 -1.01 0.25 115.31 120.75 2gq3 h LEU 698 Ca 0.25 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 2gq3 h LEU 698 Cb 0.07 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2gq3 h LEU 698 CO -0.04 0.13 -0.40 0.40 0.09 0.00 0.00 178.44 178.62 2gq3 h ILE 699 N 0.22 0.12 0.00 1.22 2.04 -1.27 -3.06 117.51 116.78 2gq3 h ILE 699 Ca 0.14 -1.12 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 2gq3 h ILE 699 Cb 0.27 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2gq3 h ILE 699 CO -0.03 0.04 -0.19 -0.07 0.00 0.00 0.00 178.15 177.91 2gq3 h LEU 700 N -1.00 0.00 -2.09 1.44 3.38 -0.66 -1.51 115.31 114.88 2gq3 h LEU 700 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2gq3 h LEU 700 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2gq3 h LEU 700 CO -0.01 0.19 0.00 -1.20 0.09 0.00 0.00 178.44 177.50 2gq3 n SER 701 N -3.55 3.14 -0.32 -0.43 7.64 0.87 -4.66 113.62 116.31 2gq3 n SER 701 Ca -0.01 -1.95 0.15 0.00 1.01 0.00 0.00 58.87 58.06 2gq3 n SER 701 Cb 0.34 -0.20 0.38 0.00 -1.01 0.00 0.00 64.21 63.72 2gq3 n SER 701 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2gq3 h GLY 702 N 4.64 1.47 2.00 0.23 0.00 -1.16 -1.24 103.07 109.01 2gq3 h GLY 702 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2gq3 h GLY 702 CO 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 176.54 176.52 2gq3 h ALA 703 N 1.62 1.00 -0.01 3.60 0.00 -1.83 -2.44 119.26 121.21 2gq3 h ALA 703 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 2gq3 h ALA 703 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2gq3 h ALA 703 CO -0.30 0.00 -0.46 1.04 0.00 0.00 0.00 179.25 179.53 2gq3 n GLN 704 N -2.73 0.53 -2.85 0.00 3.00 -0.47 -4.91 117.38 109.94 2gq3 n GLN 704 Ca 0.02 -0.35 -0.40 0.00 -0.01 0.00 0.00 57.00 56.25 2gq3 n GLN 704 Cb 0.31 -1.49 -0.05 0.00 0.00 0.00 0.00 30.24 29.01 2gq3 n GLN 704 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2gq3 s GLN 705 N -2.72 4.64 -0.03 -1.09 -1.52 -0.92 -4.97 119.66 113.05 2gq3 s GLN 705 Ca 0.17 1.29 -0.29 0.00 -1.95 0.00 0.00 55.36 54.58 2gq3 s GLN 705 Cb 0.18 -3.33 -0.08 0.00 -0.22 0.00 0.00 33.01 29.56 2gq3 s GLN 705 CO 0.63 0.36 2.00 -1.25 -0.25 0.00 0.00 175.29 176.78 2gq3 s PRO 706 N -0.44 3.90 -1.38 2.91 0.04 -1.26 -0.65 135.00 138.11 2gq3 s PRO 706 Ca 0.41 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.89 2gq3 s PRO 706 Cb -0.23 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.11 2gq3 s PRO 706 CO 0.28 -1.23 0.00 0.09 0.04 0.00 0.00 177.00 176.18 2gq3 n ASN 707 N 8.50 -5.48 -0.20 6.66 4.13 -1.26 -1.32 115.26 126.29 2gq3 n ASN 707 Ca 0.22 0.32 -0.03 0.00 1.68 0.00 0.00 54.58 56.78 2gq3 n ASN 707 Cb 0.42 -4.24 -0.01 0.00 -1.54 0.00 0.00 39.78 34.41 2gq3 n ASN 707 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2gq3 n GLY 708 N 0.10 0.59 3.77 7.41 0.00 0.17 -4.66 105.19 112.57 2gq3 n GLY 708 Ca -0.13 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 44.68 2gq3 n GLY 708 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gq3 s TYR 709 N -2.08 3.19 -0.56 1.61 4.12 -0.44 -4.84 117.35 118.37 2gq3 s TYR 709 Ca 0.00 1.56 0.23 0.00 0.02 0.00 0.00 57.07 58.89 2gq3 s TYR 709 Cb 0.00 -3.41 0.13 0.00 -1.52 0.00 0.00 41.96 37.16 2gq3 s TYR 709 CO 0.00 -1.21 1.11 0.25 0.02 0.00 0.00 175.55 175.72 2gq3 n THR 710 N 0.49 0.28 -0.20 -0.71 -2.24 -1.26 -4.40 114.28 106.24 2gq3 n THR 710 Ca 0.02 -0.30 -0.08 0.00 -2.27 0.00 0.00 64.05 61.42 2gq3 n THR 710 Cb 0.45 0.02 0.02 0.00 -2.10 0.00 0.00 70.33 68.72 2gq3 n THR 710 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2gq3 h GLU 711 N 0.00 0.85 -0.85 -0.78 3.07 -1.97 -1.95 114.58 112.96 2gq3 h GLU 711 Ca 0.00 -0.17 0.09 0.00 -0.50 0.00 0.00 59.36 58.78 2gq3 h GLU 711 Cb 0.78 -0.13 -0.07 0.00 -0.84 0.00 0.00 28.75 28.49 2gq3 h GLU 711 CO 0.00 0.77 0.50 -1.35 -1.40 0.00 0.00 179.01 177.52 2gq3 h PRO 712 N 0.77 0.81 -0.05 2.33 0.11 -2.00 0.48 132.00 134.46 2gq3 h PRO 712 Ca 0.18 -0.05 -0.24 0.00 0.11 0.00 0.00 66.00 66.01 2gq3 h PRO 712 Cb 0.26 -0.18 0.02 0.00 0.11 0.00 0.00 31.00 31.20 2gq3 h PRO 712 CO -0.01 0.54 -0.90 0.82 -0.21 0.00 0.00 178.00 178.24 2gq3 h ILE 713 N 0.84 1.30 -0.20 4.15 2.04 -1.82 -2.87 117.51 120.96 2gq3 h ILE 713 Ca 0.40 -2.13 -0.05 0.00 1.00 0.00 0.00 64.86 64.08 2gq3 h ILE 713 Cb 0.34 2.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 2gq3 h ILE 713 CO -0.24 0.66 -0.07 -0.07 0.00 0.00 0.00 178.15 178.43 2gq3 h LEU 714 N 0.36 0.40 -0.75 1.44 3.38 -1.00 -1.39 115.31 117.75 2gq3 h LEU 714 Ca -0.10 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 2gq3 h LEU 714 Cb 1.55 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.16 2gq3 h LEU 714 CO 0.18 0.70 0.39 0.45 0.09 0.00 0.00 178.44 180.24 2gq3 h HIS 715 N 0.10 1.05 -0.30 1.13 3.86 -0.12 0.15 115.15 121.03 2gq3 h HIS 715 Ca 0.05 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 2gq3 h HIS 715 Cb 0.53 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 2gq3 h HIS 715 CO 0.06 0.76 -0.02 -0.09 0.86 0.00 0.00 177.93 179.50 2gq3 h ARG 716 N 1.05 0.55 -0.38 2.45 2.43 -1.38 -1.36 114.38 117.73 2gq3 h ARG 716 Ca 0.26 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 2gq3 h ARG 716 Cb 0.07 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2gq3 h ARG 716 CO -0.04 0.70 -0.11 0.00 -1.51 0.00 0.00 179.97 179.01 2gq3 h ARG 717 N 0.33 0.75 -0.73 0.20 2.47 -1.14 0.06 114.38 116.32 2gq3 h ARG 717 Ca 0.08 -0.29 -0.02 0.00 -1.26 0.00 0.00 59.98 58.49 2gq3 h ARG 717 Cb 0.47 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.71 2gq3 h ARG 717 CO 0.02 0.90 0.39 -0.09 0.56 0.00 0.00 179.97 181.75 2gq3 h ARG 718 N 0.55 1.02 -0.60 0.04 9.65 -0.59 -1.11 114.38 123.33 2gq3 h ARG 718 Ca 0.09 -0.12 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2gq3 h ARG 718 Cb 0.63 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.99 2gq3 h ARG 718 CO 0.04 0.76 0.37 0.00 2.80 0.00 0.00 179.97 183.94 2gq3 h ARG 719 N 1.00 0.82 -1.01 0.20 3.08 -1.15 0.72 114.38 118.04 2gq3 h ARG 719 Ca 0.26 -0.07 0.12 0.00 0.07 0.00 0.00 59.98 60.35 2gq3 h ARG 719 Cb 0.05 -0.17 -0.08 0.00 0.08 0.00 0.00 29.97 29.84 2gq3 h ARG 719 CO -0.04 0.58 0.63 1.49 -1.07 0.00 0.00 179.97 181.57 2gq3 h GLU 720 N 0.82 0.97 -0.06 0.04 4.81 -0.72 0.10 114.58 120.54 2gq3 h GLU 720 Ca 0.22 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 2gq3 h GLU 720 Cb -0.03 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.14 2gq3 h GLU 720 CO -0.04 0.64 -0.33 0.35 -0.73 0.00 0.00 179.01 178.90 2gq3 h PHE 721 N 1.00 0.45 -0.52 0.92 3.57 0.03 -0.36 116.94 122.03 2gq3 h PHE 721 Ca 0.50 -0.20 0.08 0.00 3.53 0.00 0.00 57.97 61.88 2gq3 h PHE 721 Cb 0.49 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.09 2gq3 h PHE 721 CO -0.00 0.94 0.14 0.87 -2.23 0.00 0.00 178.31 178.03 2gq3 h LYS 722 N -0.16 0.29 -0.79 1.11 1.57 -0.71 0.17 116.57 118.05 2gq3 h LYS 722 Ca -0.02 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2gq3 h LYS 722 Cb 0.98 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.19 2gq3 h LYS 722 CO 0.07 0.19 0.46 0.00 -0.57 0.00 0.00 179.45 179.60 2gq3 h ALA 723 N 1.38 1.01 -0.05 3.86 0.00 -0.56 -1.07 119.26 123.83 2gq3 h ALA 723 Ca 0.26 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 2gq3 h ALA 723 Cb 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2gq3 h ALA 723 CO -0.30 0.50 -0.66 -0.09 0.00 0.00 0.00 179.25 178.70 2gq3 h ARG 724 N 1.09 0.23 0.00 0.00 2.43 -0.53 -2.49 114.38 115.11 2gq3 h ARG 724 Ca 0.28 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2gq3 h ARG 724 Cb -0.00 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 2gq3 h ARG 724 CO -0.05 0.81 -0.01 0.00 -1.51 0.00 0.00 179.97 179.20 2gq3 h ALA 725 N 1.15 1.01 0.15 2.80 0.00 0.12 -3.28 119.26 121.21 2gq3 h ALA 725 Ca -0.01 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 2gq3 h ALA 725 Cb 1.19 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.00 2gq3 h ALA 725 CO 0.10 0.02 -0.92 0.00 0.00 0.00 0.00 179.25 178.45 2gq3 h ALA 726 N 1.99 -0.08 0.00 0.00 0.00 -0.75 -3.51 119.26 116.92 2gq3 h ALA 726 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2gq3 h ALA 726 Cb 0.38 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2gq3 h ALA 726 CO 0.00 0.44 0.00 -0.85 0.00 0.00 0.00 179.25 178.84