#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gjq n MET 4 N 0.00 0.00 -0.26 -0.67 1.56 -1.26 -4.74 117.12 111.75 1gjq n MET 4 Ca 0.00 0.00 0.23 0.00 -0.27 0.00 0.00 57.70 57.66 1gjq n MET 4 Cb 0.00 0.00 0.35 0.00 2.15 0.00 0.00 33.22 35.72 1gjq n MET 4 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1gjq n LYS 5 N 0.00 0.00 -0.02 2.12 3.00 -1.26 -2.54 118.16 119.47 1gjq n LYS 5 Ca 0.00 0.56 -0.13 0.00 -0.00 0.00 0.00 58.31 58.74 1gjq n LYS 5 Cb 0.00 -1.33 -0.09 0.00 0.00 0.00 0.00 35.03 33.60 1gjq n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1gjq h ALA 6 N 0.42 0.04 0.00 3.14 0.00 -2.01 -3.17 119.26 117.67 1gjq h ALA 6 Ca 0.40 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1gjq h ALA 6 Cb 1.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1gjq h ALA 6 CO -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.05 1gjq n ALA 7 N -2.35 1.72 0.10 0.00 0.00 -1.05 -2.51 120.51 116.41 1gjq n ALA 7 Ca -0.08 0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.42 1gjq n ALA 7 Cb 0.27 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 1gjq n ALA 7 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1gjq h GLU 8 N 0.00 0.00 0.00 0.00 5.08 -1.66 -3.27 114.58 114.72 1gjq h GLU 8 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1gjq h GLU 8 Cb 0.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1gjq h GLU 8 CO 0.00 0.33 -1.55 1.04 -1.00 0.00 0.00 179.01 177.83 1gjq n GLN 9 N -3.03 0.63 -0.13 2.33 1.13 -1.06 -2.86 117.38 114.39 1gjq n GLN 9 Ca -0.03 0.10 -0.06 0.00 -1.94 0.00 0.00 57.00 55.07 1gjq n GLN 9 Cb 0.74 -1.73 0.11 0.00 0.11 0.00 0.00 30.24 29.48 1gjq n GLN 9 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 1gjq h TYR 10 N 0.00 0.94 -0.33 1.08 3.20 -1.60 -2.68 116.97 117.59 1gjq h TYR 10 Ca -0.15 -0.15 -0.11 0.00 3.14 0.00 0.00 58.73 61.46 1gjq h TYR 10 Cb 1.43 -0.25 -0.07 0.00 1.54 0.00 0.00 36.73 39.39 1gjq h TYR 10 CO 0.00 0.87 -0.02 1.04 -1.64 0.00 0.00 178.16 178.41 1gjq n GLN 11 N -4.19 2.28 0.03 1.82 6.02 -1.23 -4.64 117.38 117.46 1gjq n GLN 11 Ca 0.02 -3.02 0.13 0.00 -0.01 0.00 0.00 57.00 54.12 1gjq n GLN 11 Cb 0.33 -1.83 0.45 0.00 1.02 0.00 0.00 30.24 30.21 1gjq n GLN 11 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1gjq n GLY 12 N -0.89 -1.47 3.83 1.08 0.00 -1.01 -4.91 105.19 101.82 1gjq n GLY 12 Ca 0.29 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1gjq n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gjq s ALA 13 N -3.04 2.80 0.55 4.61 0.00 -1.26 -5.04 121.76 120.38 1gjq s ALA 13 Ca 0.12 0.09 -0.18 0.00 0.00 0.00 0.00 51.96 51.99 1gjq s ALA 13 Cb 0.17 -3.16 -0.06 0.00 0.00 0.00 0.00 23.12 20.07 1gjq s ALA 13 CO 0.60 -1.01 1.08 0.00 0.00 0.00 0.00 175.76 176.43 1gjq s ALA 14 N -2.98 2.74 0.40 0.00 0.00 -1.26 -5.03 121.76 115.63 1gjq s ALA 14 Ca 0.58 0.60 -0.24 0.00 0.00 0.00 0.00 51.96 52.90 1gjq s ALA 14 Cb -0.13 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 1gjq s ALA 14 CO 0.51 -0.67 1.06 0.45 0.00 0.00 0.00 175.76 177.10 1gjq s SER 15 N -2.20 6.75 0.08 0.00 0.15 -1.26 -4.93 113.70 112.29 1gjq s SER 15 Ca 0.68 2.06 0.20 0.00 0.70 0.00 0.00 55.95 59.58 1gjq s SER 15 Cb -0.19 -2.59 0.81 0.00 -1.71 0.00 0.00 66.02 62.34 1gjq s SER 15 CO 0.29 -0.50 1.61 0.00 1.20 0.00 0.00 173.24 175.84 1gjq n ALA 16 N -0.05 1.79 -2.25 5.45 0.00 -1.26 -4.75 120.51 119.43 1gjq n ALA 16 Ca 0.05 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 1gjq n ALA 16 Cb 0.49 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 1gjq n ALA 16 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1gjq s VAL 17 N -3.09 3.63 -0.21 0.00 1.01 -1.26 -4.99 120.40 115.48 1gjq s VAL 17 Ca 0.07 1.13 -0.29 0.00 0.00 0.00 0.00 61.98 62.89 1gjq s VAL 17 Cb 0.11 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1gjq s VAL 17 CO 0.35 0.06 1.08 -0.62 0.00 0.00 0.00 175.10 175.97 1gjq s ASP 18 N 1.34 7.08 0.37 3.32 -1.08 -1.26 -4.93 116.67 121.51 1gjq s ASP 18 Ca 0.63 1.45 0.08 0.00 -0.52 0.00 0.00 52.55 54.18 1gjq s ASP 18 Cb -0.33 -2.54 0.80 0.00 -1.46 0.00 0.00 42.92 39.39 1gjq s ASP 18 CO 0.29 -0.67 1.95 -0.65 0.52 0.00 0.00 175.17 176.61 1gjq h PRO 19 N 7.56 0.67 0.00 4.34 0.11 -1.94 -2.01 132.00 140.72 1gjq h PRO 19 Ca -0.21 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1gjq h PRO 19 Cb 1.07 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1gjq h PRO 19 CO 0.97 0.44 0.00 0.00 -0.21 0.00 0.00 178.00 179.20 1gjq h ALA 20 N 1.62 1.00 -0.01 -0.75 0.00 -2.04 -2.18 119.26 116.90 1gjq h ALA 20 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1gjq h ALA 20 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1gjq h ALA 20 CO -0.11 0.00 -0.50 0.72 0.00 0.00 0.00 179.25 179.36 1gjq n HIS 21 N -3.00 0.00 -3.29 0.00 8.25 -0.76 -4.81 115.22 111.62 1gjq n HIS 21 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 1gjq n HIS 21 Cb 0.13 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.15 1gjq n HIS 21 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1gjq s VAL 22 N -2.51 5.05 -0.02 1.59 1.01 -0.82 -5.05 120.40 119.64 1gjq s VAL 22 Ca 0.18 -0.22 -0.18 0.00 0.00 0.00 0.00 61.98 61.76 1gjq s VAL 22 Cb 0.18 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1gjq s VAL 22 CO 0.59 -0.42 0.51 0.68 0.00 0.00 0.00 175.10 176.46 1gjq s VAL 23 N 2.25 4.99 0.02 2.92 -7.23 -1.26 -5.00 120.40 117.08 1gjq s VAL 23 Ca 0.14 1.07 -0.25 0.00 -1.81 0.00 0.00 61.98 61.13 1gjq s VAL 23 Cb -0.16 -3.84 -0.05 0.00 0.56 0.00 0.00 36.38 32.88 1gjq s VAL 23 CO 0.14 0.45 0.76 -0.60 -0.31 0.00 0.00 175.10 175.55 1gjq s ARG 24 N -0.33 4.48 -0.15 4.82 3.52 -1.26 -5.05 118.95 124.99 1gjq s ARG 24 Ca 0.28 1.04 -0.09 0.00 -0.13 0.00 0.00 55.73 56.83 1gjq s ARG 24 Cb -0.17 -3.39 -0.05 0.00 -1.56 0.00 0.00 34.95 29.79 1gjq s ARG 24 CO 0.15 0.22 0.16 0.99 -0.81 0.00 0.00 175.30 176.00 1gjq s THR 25 N 0.18 5.44 -5.00 4.11 2.01 -1.26 -5.03 115.64 116.08 1gjq s THR 25 Ca 0.39 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.64 1gjq s THR 25 Cb -0.20 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 68.85 1gjq s THR 25 CO 0.22 0.53 0.00 -3.20 -0.69 0.00 0.00 174.62 171.48 1gjq n ASN 26 N 2.71 0.00 0.00 3.53 5.15 -1.26 -5.02 115.26 120.37 1gjq n ASN 26 Ca -0.18 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 1gjq n ASN 26 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 1gjq n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1gjq n GLY 27 N -1.19 1.85 3.91 8.20 0.00 -1.26 -5.12 105.19 111.58 1gjq n GLY 27 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1gjq n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gjq s ALA 28 N -2.00 3.74 0.11 4.61 0.00 -1.26 -5.06 121.76 121.90 1gjq s ALA 28 Ca 0.00 -0.63 -0.31 0.00 0.00 0.00 0.00 51.96 51.02 1gjq s ALA 28 Cb 0.00 -2.15 -0.09 0.00 0.00 0.00 0.00 23.12 20.88 1gjq s ALA 28 CO 0.00 0.46 1.53 -2.14 0.00 0.00 0.00 175.76 175.62 1gjq s PRO 29 N -3.14 4.24 0.11 0.00 0.02 -1.26 -4.93 135.00 130.04 1gjq s PRO 29 Ca 0.41 2.25 -0.31 0.00 0.02 0.00 0.00 61.00 63.37 1gjq s PRO 29 Cb -0.11 -3.34 -0.11 0.00 0.02 0.00 0.00 34.50 30.96 1gjq s PRO 29 CO 0.27 -0.60 1.85 -0.25 -0.33 0.00 0.00 177.00 177.95 1gjq n ASP 30 N 4.54 4.04 -3.82 2.53 8.00 -1.26 -4.95 116.55 125.64 1gjq n ASP 30 Ca 0.14 0.98 -0.13 0.00 0.71 0.00 0.00 54.79 56.48 1gjq n ASP 30 Cb 0.40 -1.54 -0.15 0.00 -0.02 0.00 0.00 41.12 39.82 1gjq n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gjq s MET 31 N 2.91 -0.01 1.13 -1.24 0.23 -1.26 -5.15 119.30 115.91 1gjq s MET 31 Ca 0.83 0.11 -0.14 0.00 -1.03 0.00 0.00 55.69 55.45 1gjq s MET 31 Cb -0.48 -0.12 0.25 0.00 -1.53 0.00 0.00 34.83 32.95 1gjq s MET 31 CO 0.38 -0.09 1.06 -1.54 -2.03 0.00 0.00 175.02 172.81 1gjq s SER 32 N 0.54 1.47 0.20 -1.18 1.04 -1.26 -4.72 113.70 109.80 1gjq s SER 32 Ca -0.04 1.15 -0.11 0.00 0.48 0.00 0.00 55.95 57.42 1gjq s SER 32 Cb -0.06 -1.77 0.16 0.00 0.10 0.00 0.00 66.02 64.45 1gjq s SER 32 CO -0.02 -3.84 1.86 -0.33 0.98 0.00 0.00 173.24 171.89 1gjq h GLU 33 N -2.38 0.86 -0.54 4.02 5.08 -2.02 0.25 114.58 119.86 1gjq h GLU 33 Ca -0.55 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 57.67 1gjq h GLU 33 Cb 1.33 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1gjq h GLU 33 CO 0.50 0.57 -0.01 1.03 -1.00 0.00 0.00 179.01 180.10 1gjq h SER 34 N 0.89 0.90 0.04 1.42 0.87 -1.98 -0.62 113.55 115.06 1gjq h SER 34 Ca 0.27 -0.24 -0.18 0.00 -1.23 0.00 0.00 61.79 60.40 1gjq h SER 34 Cb -0.04 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.68 1gjq h SER 34 CO -0.08 0.96 -0.65 -0.33 -0.53 0.00 0.00 176.83 176.19 1gjq h GLU 35 N 0.85 0.58 -0.24 2.24 5.08 -1.82 -1.74 114.58 119.52 1gjq h GLU 35 Ca 0.16 -0.42 -0.15 0.00 -1.00 0.00 0.00 59.36 57.95 1gjq h GLU 35 Cb 0.52 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1gjq h GLU 35 CO 0.03 1.04 -0.43 0.35 -1.00 0.00 0.00 179.01 179.00 1gjq h PHE 36 N 0.42 0.90 0.00 4.33 3.04 -0.79 -2.80 116.94 122.04 1gjq h PHE 36 Ca -0.02 -0.32 -0.10 0.00 3.98 0.00 0.00 57.97 61.51 1gjq h PHE 36 Cb 1.23 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.55 1gjq h PHE 36 CO 0.06 1.10 -0.49 -0.91 -2.02 0.00 0.00 178.31 176.05 1gjq h ASN 37 N 0.45 0.00 -0.23 0.41 2.35 -1.12 -0.85 115.58 116.59 1gjq h ASN 37 Ca 0.02 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.59 1gjq h ASN 37 Cb 1.03 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.40 1gjq h ASN 37 CO 0.10 0.49 -0.52 -0.08 -1.65 0.00 0.00 177.43 175.76 1gjq h GLU 38 N 0.00 0.82 -0.13 0.81 4.81 -1.30 -2.31 114.58 117.28 1gjq h GLU 38 Ca -0.00 -0.50 -0.16 0.00 -0.13 0.00 0.00 59.36 58.56 1gjq h GLU 38 Cb 0.99 0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.43 1gjq h GLU 38 CO 0.06 1.14 -0.54 0.00 -0.73 0.00 0.00 179.01 178.94 1gjq h ALA 39 N 0.76 0.25 -0.06 2.92 0.00 -1.41 -2.89 119.26 118.83 1gjq h ALA 39 Ca 0.02 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1gjq h ALA 39 Cb 1.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1gjq h ALA 39 CO 0.11 0.46 -0.10 -0.22 0.00 0.00 0.00 179.25 179.50 1gjq h LYS 40 N 0.25 0.08 -0.06 0.00 3.64 -1.16 -0.27 116.57 119.05 1gjq h LYS 40 Ca -0.03 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1gjq h LYS 40 Cb 1.17 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1gjq h LYS 40 CO 0.11 0.20 -0.04 0.37 -2.27 0.00 0.00 179.45 177.82 1gjq h GLN 41 N 0.08 0.14 -0.83 1.90 5.75 -1.39 -2.80 115.11 117.96 1gjq h GLN 41 Ca 0.02 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.42 1gjq h GLN 41 Cb 0.24 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.75 1gjq h GLN 41 CO 0.01 0.53 0.39 0.82 -2.65 0.00 0.00 178.83 177.93 1gjq h ILE 42 N -0.26 1.26 -0.03 2.39 2.04 -1.23 -2.43 117.51 119.25 1gjq h ILE 42 Ca 0.01 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.15 1gjq h ILE 42 Cb 0.49 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1gjq h ILE 42 CO 0.01 0.32 -0.10 0.22 0.00 0.00 0.00 178.15 178.59 1gjq h TYR 43 N 1.19 -0.26 0.00 1.37 3.20 -0.98 0.26 116.97 121.75 1gjq h TYR 43 Ca 0.29 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1gjq h TYR 43 Cb 0.14 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1gjq h TYR 43 CO 0.02 -0.16 0.00 0.74 -1.64 0.00 0.00 178.16 177.12 1gjq h PHE 44 N -0.16 0.00 0.13 -3.82 -1.00 -1.43 0.21 116.94 110.86 1gjq h PHE 44 Ca 0.05 0.00 -0.33 0.00 2.81 0.00 0.00 57.97 60.50 1gjq h PHE 44 Cb 0.23 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.78 1gjq h PHE 44 CO -0.18 0.00 -1.69 1.96 -1.61 0.00 0.00 178.31 176.79 1gjq h GLN 45 N 0.00 0.27 0.00 1.51 4.20 -1.00 -3.42 115.11 116.68 1gjq h GLN 45 Ca 0.00 -0.47 -0.00 0.00 0.06 0.00 0.00 58.65 58.24 1gjq h GLN 45 Cb 0.73 0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.68 1gjq h GLN 45 CO 0.00 1.13 -1.03 0.54 -0.67 0.00 0.00 178.83 178.81 1gjq n ARG 46 N -3.46 1.26 -0.02 1.46 5.12 0.88 -4.93 116.66 116.97 1gjq n ARG 46 Ca -0.21 -0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.70 1gjq n ARG 46 Cb 1.05 -1.01 -0.06 0.00 -1.16 0.00 0.00 32.46 31.28 1gjq n ARG 46 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1gjq h ALA 48 N 0.48 1.67 -0.54 0.00 0.00 -1.09 -2.51 119.26 117.27 1gjq h ALA 48 Ca -0.12 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1gjq h ALA 48 Cb 1.01 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1gjq h ALA 48 CO 0.01 0.22 0.22 0.78 0.00 0.00 0.00 179.25 180.48 1gjq h GLY 49 N 0.78 0.74 0.92 0.00 0.00 -1.87 0.19 103.07 103.84 1gjq h GLY 49 Ca 0.31 -0.13 -0.31 0.00 0.00 0.00 0.00 47.33 47.20 1gjq h GLY 49 CO -0.10 0.03 -1.76 0.00 0.00 0.00 0.00 176.54 174.71 1gjq n HIS 51 N -3.22 0.09 0.00 0.00 8.25 -0.95 -0.57 115.22 118.82 1gjq n HIS 51 Ca -0.21 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1gjq n HIS 51 Cb 1.05 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.92 1gjq n HIS 51 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gjq n GLY 52 N 1.45 -1.08 0.27 -1.41 0.00 0.66 -2.43 105.19 102.65 1gjq n GLY 52 Ca 0.04 -1.53 -0.01 0.00 0.00 0.00 0.00 46.02 44.51 1gjq n GLY 52 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1gjq h VAL 53 N 0.00 1.21 -0.39 1.61 2.07 -1.95 -2.86 116.25 115.94 1gjq h VAL 53 Ca 0.00 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1gjq h VAL 53 Cb 0.00 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1gjq h VAL 53 CO 0.00 0.30 0.00 0.18 0.02 0.00 0.00 177.57 178.07 1gjq n LEU 54 N -4.25 3.48 -1.92 2.57 4.77 -1.26 -4.88 117.00 115.51 1gjq n LEU 54 Ca 0.02 -1.51 -0.20 0.00 -0.03 0.00 0.00 56.01 54.29 1gjq n LEU 54 Cb 0.27 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 1gjq n LEU 54 CO 0.40 0.75 -0.23 0.54 -1.33 0.00 0.00 177.39 177.52 1gjq n ARG 55 N 1.50 -1.51 0.00 3.23 1.74 -1.08 -4.86 116.66 115.68 1gjq n ARG 55 Ca 0.19 1.10 0.14 0.00 -0.77 0.00 0.00 57.85 58.51 1gjq n ARG 55 Cb 0.61 -5.58 0.55 0.00 -1.02 0.00 0.00 32.46 27.02 1gjq n ARG 55 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1gjq n LYS 56 N -2.67 0.83 0.00 5.56 4.76 -1.24 -0.78 118.16 124.61 1gjq n LYS 56 Ca -0.22 -0.36 0.00 0.00 -2.87 0.00 0.00 58.31 54.86 1gjq n LYS 56 Cb 0.67 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 1gjq n LYS 56 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1gjq n GLY 57 N 1.27 0.36 0.00 0.72 0.00 -1.02 -4.33 105.19 102.20 1gjq n GLY 57 Ca 0.15 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1gjq n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gjq n ALA 58 N 1.23 0.00 -0.09 4.61 0.00 -1.17 -4.86 120.51 120.23 1gjq n ALA 58 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1gjq n ALA 58 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 1gjq n ALA 58 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1gjq h THR 59 N 0.00 1.20 -3.56 0.00 2.02 -1.68 -3.43 112.91 107.47 1gjq h THR 59 Ca 0.00 -0.68 -0.49 0.00 0.77 0.00 0.00 66.41 66.02 1gjq h THR 59 Cb 0.00 0.65 0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1gjq h THR 59 CO 0.00 0.26 0.12 -0.83 0.37 0.00 0.00 175.52 175.43 1gjq s GLY 60 N -3.66 1.52 0.76 2.16 0.00 0.27 -5.03 107.32 103.34 1gjq s GLY 60 Ca -0.09 -0.57 -0.11 0.00 0.00 0.00 0.00 44.72 43.95 1gjq s GLY 60 CO 0.78 -0.38 1.08 0.54 0.00 0.00 0.00 173.10 175.12 1gjq s LYS 61 N -4.79 2.38 0.20 2.90 1.02 -1.26 -4.47 119.74 115.72 1gjq s LYS 61 Ca 0.49 1.05 -0.31 0.00 0.02 0.00 0.00 55.97 57.22 1gjq s LYS 61 Cb -0.10 -1.92 -0.10 0.00 -0.52 0.00 0.00 37.83 35.19 1gjq s LYS 61 CO 0.45 -1.52 1.51 -2.14 -0.92 0.00 0.00 175.35 172.73 1gjq s PRO 62 N -4.96 4.23 -0.37 -1.68 0.02 -1.26 -4.33 135.00 126.64 1gjq s PRO 62 Ca 0.60 2.33 0.05 0.00 0.02 0.00 0.00 61.00 64.01 1gjq s PRO 62 Cb -0.16 -3.14 0.46 0.00 0.02 0.00 0.00 34.50 31.69 1gjq s PRO 62 CO 0.56 -0.53 1.43 1.28 -0.33 0.00 0.00 177.00 179.41 1gjq n LEU 63 N 3.27 5.34 -4.79 -5.54 4.77 0.04 -4.84 117.00 115.25 1gjq n LEU 63 Ca 0.11 -4.45 -0.36 0.00 -0.03 0.00 0.00 56.01 51.27 1gjq n LEU 63 Cb 0.39 -0.54 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 1gjq n LEU 63 CO 0.61 1.80 0.66 -0.89 -1.33 0.00 0.00 177.39 178.23 1gjq s THR 64 N -4.37 4.21 0.38 -5.08 2.01 -1.21 -4.82 115.64 106.76 1gjq s THR 64 Ca 0.53 1.72 0.21 0.00 0.31 0.00 0.00 61.69 64.46 1gjq s THR 64 Cb 0.43 -3.90 0.38 0.00 0.01 0.00 0.00 72.50 69.41 1gjq s THR 64 CO 0.02 0.04 1.61 -0.65 -0.69 0.00 0.00 174.62 174.95 1gjq h PRO 65 N 2.86 0.12 -0.92 4.92 0.11 -1.80 -1.71 132.00 135.57 1gjq h PRO 65 Ca -0.47 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.68 1gjq h PRO 65 Cb 1.19 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 1gjq h PRO 65 CO 0.64 0.08 0.60 0.38 -0.21 0.00 0.00 178.00 179.48 1gjq h ASP 66 N 0.12 0.97 0.08 -2.05 2.03 -1.93 -1.73 116.42 113.90 1gjq h ASP 66 Ca 0.81 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.95 1gjq h ASP 66 Cb 2.15 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 40.44 1gjq h ASP 66 CO -0.64 0.65 -0.78 0.40 -1.03 0.00 0.00 179.24 177.84 1gjq h ILE 67 N 1.13 1.41 -0.52 4.15 2.04 -1.68 -3.28 117.51 120.75 1gjq h ILE 67 Ca 0.38 -2.41 -0.10 0.00 1.00 0.00 0.00 64.86 63.73 1gjq h ILE 67 Cb 0.07 3.03 -0.02 0.00 -0.74 0.00 0.00 36.82 39.16 1gjq h ILE 67 CO -0.14 0.64 -0.06 0.71 0.00 0.00 0.00 178.15 179.30 1gjq h THR 68 N -0.61 1.26 0.00 -0.27 1.35 -1.43 -2.02 112.91 111.19 1gjq h THR 68 Ca -0.16 -1.17 -0.09 0.00 -0.55 0.00 0.00 66.41 64.43 1gjq h THR 68 Cb 1.45 0.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.78 1gjq h THR 68 CO 0.04 0.41 -0.43 1.56 -0.25 0.00 0.00 175.52 176.86 1gjq h GLN 69 N 0.85 0.00 -0.28 4.72 4.20 -1.50 -2.16 115.11 120.94 1gjq h GLN 69 Ca 0.15 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.71 1gjq h GLN 69 Cb 0.59 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1gjq h GLN 69 CO 0.04 0.43 -0.39 0.37 -0.67 0.00 0.00 178.83 178.60 1gjq h GLN 70 N 0.00 0.76 -0.71 1.46 4.15 -1.56 -3.12 115.11 116.09 1gjq h GLN 70 Ca -0.00 -0.44 -0.07 0.00 0.77 0.00 0.00 58.65 58.90 1gjq h GLN 70 Cb 0.85 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.55 1gjq h GLN 70 CO 0.06 1.07 0.17 0.00 -1.93 0.00 0.00 178.83 178.20 1gjq h ARG 71 N 0.51 1.15 0.00 1.69 2.47 -1.15 -3.50 114.38 115.55 1gjq h ARG 71 Ca 0.03 -0.28 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 1gjq h ARG 71 Cb 0.99 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.16 1gjq h ARG 71 CO 0.09 1.01 0.00 0.41 0.56 0.00 0.00 179.97 182.04 1gjq n GLY 72 N -0.66 0.05 0.24 0.04 0.00 -0.83 -4.31 105.19 99.72 1gjq n GLY 72 Ca 0.05 -1.65 0.02 0.00 0.00 0.00 0.00 46.02 44.44 1gjq n GLY 72 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1gjq h GLN 73 N 0.00 0.31 -0.45 1.61 5.75 -1.88 -2.78 115.11 117.67 1gjq h GLN 73 Ca 0.00 -0.02 -0.13 0.00 -0.15 0.00 0.00 58.65 58.35 1gjq h GLN 73 Cb 0.00 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 1gjq h GLN 73 CO 0.00 0.20 -0.23 1.96 -2.65 0.00 0.00 178.83 178.12 1gjq h GLN 74 N 0.32 0.92 0.08 1.69 1.08 -1.99 -2.31 115.11 114.89 1gjq h GLN 74 Ca 0.34 -0.39 -0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1gjq h GLN 74 Cb 0.50 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1gjq h GLN 74 CO -0.40 1.05 -0.04 -0.92 -0.95 0.00 0.00 178.83 177.57 1gjq h TYR 75 N 0.79 -0.10 -0.62 2.96 5.03 -1.71 -1.93 116.97 121.40 1gjq h TYR 75 Ca 0.10 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.47 1gjq h TYR 75 Cb 0.79 0.03 -0.05 0.00 1.55 0.00 0.00 36.73 39.05 1gjq h TYR 75 CO 0.05 0.01 0.33 -0.07 -1.32 0.00 0.00 178.16 177.16 1gjq h LEU 76 N -0.19 0.48 -0.90 2.82 3.38 -1.49 -0.81 115.31 118.61 1gjq h LEU 76 Ca -0.01 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1gjq h LEU 76 Cb 0.15 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1gjq h LEU 76 CO 0.02 0.31 0.30 -0.33 0.09 0.00 0.00 178.44 178.83 1gjq h GLU 77 N 0.61 1.10 -0.37 1.13 5.08 -1.28 -1.40 114.58 119.46 1gjq h GLU 77 Ca 0.28 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 1gjq h GLU 77 Cb 0.18 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1gjq h GLU 77 CO -0.18 0.89 -0.25 0.00 -1.00 0.00 0.00 179.01 178.47 1gjq h ALA 78 N 1.24 0.53 -0.28 3.43 0.00 -0.90 -2.08 119.26 121.21 1gjq h ALA 78 Ca 0.25 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1gjq h ALA 78 Cb 0.20 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1gjq h ALA 78 CO -0.02 0.53 -0.50 1.25 0.00 0.00 0.00 179.25 180.52 1gjq h LEU 79 N 0.63 0.85 -1.01 0.00 6.46 -0.91 -1.74 115.31 119.59 1gjq h LEU 79 Ca 0.07 -0.43 -0.10 0.00 -0.12 0.00 0.00 57.88 57.30 1gjq h LEU 79 Cb 0.82 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 1gjq h LEU 79 CO 0.07 1.20 -0.35 0.40 -0.62 0.00 0.00 178.44 179.14 1gjq h ILE 80 N 0.61 1.28 0.43 4.05 2.04 -1.27 0.15 117.51 124.81 1gjq h ILE 80 Ca 0.03 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.49 1gjq h ILE 80 Cb 1.07 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 1gjq h ILE 80 CO 0.11 0.42 -0.21 0.74 0.00 0.00 0.00 178.15 179.21 1gjq h THR 81 N 0.23 0.28 0.00 -0.27 2.02 -1.15 -2.15 112.91 111.87 1gjq h THR 81 Ca 0.03 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 1gjq h THR 81 Cb 0.73 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1gjq h THR 81 CO 0.06 0.06 -1.17 -1.22 0.37 0.00 0.00 175.52 173.61 1gjq n TYR 82 N -5.18 0.85 -4.33 3.16 4.01 -0.67 -0.98 117.16 114.02 1gjq n TYR 82 Ca -0.09 0.25 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 1gjq n TYR 82 Cb 0.28 -0.91 0.00 0.00 -0.31 0.00 0.00 39.34 38.39 1gjq n TYR 82 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gjq n GLY 83 N 1.21 -0.65 3.33 2.72 0.00 0.53 -4.32 105.19 108.01 1gjq n GLY 83 Ca -0.02 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 1gjq n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gjq s THR 84 N 0.00 0.05 -1.54 2.61 -4.23 -0.81 -4.89 115.64 106.84 1gjq s THR 84 Ca 0.00 -1.54 0.29 0.00 -1.18 0.00 0.00 61.69 59.26 1gjq s THR 84 Cb 0.00 -2.00 0.49 0.00 1.34 0.00 0.00 72.50 72.33 1gjq s THR 84 CO 0.00 -0.25 1.95 -0.81 -0.54 0.00 0.00 174.62 174.98 1gjq n PRO 85 N -0.23 0.56 -1.08 3.99 -0.04 -1.26 -3.90 135.00 133.04 1gjq n PRO 85 Ca -0.05 -0.11 -0.24 0.00 -0.04 0.00 0.00 63.50 63.05 1gjq n PRO 85 Cb 0.63 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.68 1gjq n PRO 85 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1gjq n LEU 86 N -1.12 6.80 0.00 1.53 4.77 -1.26 -4.82 117.00 122.89 1gjq n LEU 86 Ca 0.14 -3.64 0.00 0.00 -0.03 0.00 0.00 56.01 52.49 1gjq n LEU 86 Cb 0.26 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1gjq n LEU 86 CO 0.24 1.24 0.00 0.61 -1.33 0.00 0.00 177.39 178.14 1gjq n GLY 87 N -0.45 0.46 3.50 -0.72 0.00 -1.26 -5.07 105.19 101.65 1gjq n GLY 87 Ca 0.47 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 1gjq n GLY 87 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1gjq s MET 88 N -1.00 3.22 0.61 1.61 0.00 -1.25 -5.03 119.30 117.46 1gjq s MET 88 Ca 0.00 -0.75 -0.18 0.00 0.00 0.00 0.00 55.69 54.76 1gjq s MET 88 Cb 0.00 -3.91 -0.03 0.00 0.00 0.00 0.00 34.83 30.89 1gjq s MET 88 CO 0.00 -0.69 1.23 -1.25 0.00 0.00 0.00 175.02 174.31 1gjq s PRO 89 N 1.91 2.86 -1.07 4.11 0.04 -1.26 -1.93 135.00 139.66 1gjq s PRO 89 Ca 0.09 1.87 -0.17 0.00 0.04 0.00 0.00 61.00 62.83 1gjq s PRO 89 Cb -0.18 -1.91 0.13 0.00 0.04 0.00 0.00 34.50 32.59 1gjq s PRO 89 CO 0.12 -1.30 1.32 0.54 0.04 0.00 0.00 177.00 177.71 1gjq s ASN 90 N -1.57 6.78 0.51 6.66 2.20 -1.26 -4.08 114.94 124.18 1gjq s ASN 90 Ca 0.78 -2.34 0.24 0.00 -0.94 0.00 0.00 52.86 50.61 1gjq s ASN 90 Cb -0.32 -2.43 1.36 0.00 -2.00 0.00 0.00 41.25 37.86 1gjq s ASN 90 CO 0.35 -1.01 2.06 -0.50 -2.94 0.00 0.00 177.10 175.06 1gjq h TRP 91 N 8.26 0.00 0.01 1.54 4.06 -1.34 -2.79 115.95 125.69 1gjq h TRP 91 Ca 0.24 0.00 -0.40 0.00 2.06 0.00 0.00 58.89 60.79 1gjq h TRP 91 Cb 0.96 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.05 1gjq h TRP 91 CO 1.18 0.13 -2.43 0.41 -3.56 0.00 0.00 178.44 174.17 1gjq n GLY 92 N -0.82 -0.40 0.34 1.49 0.00 -0.16 -0.75 105.19 104.89 1gjq n GLY 92 Ca -0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 1gjq n GLY 92 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1gjq h SER 93 N -0.16 1.04 0.95 1.61 0.02 -1.39 -1.71 113.55 113.90 1gjq h SER 93 Ca -0.58 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.27 1gjq h SER 93 Cb 1.86 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 64.13 1gjq h SER 93 CO -0.13 0.84 0.00 -1.54 -1.14 0.00 0.00 176.83 174.86 1gjq n SER 94 N -4.39 0.33 -0.83 3.07 3.41 -1.05 -4.89 113.62 109.26 1gjq n SER 94 Ca 0.08 0.55 -0.09 0.00 -0.26 0.00 0.00 58.87 59.16 1gjq n SER 94 Cb 0.09 -0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 63.39 1gjq n SER 94 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gjq n GLY 95 N 0.80 0.50 0.19 5.00 0.00 -0.64 -4.93 105.19 106.11 1gjq n GLY 95 Ca 0.05 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.28 1gjq n GLY 95 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1gjq h GLU 96 N 0.00 0.69 -6.70 1.61 4.57 -1.66 -3.45 114.58 109.64 1gjq h GLU 96 Ca -0.19 -0.77 -0.69 0.00 -1.18 0.00 0.00 59.36 56.52 1gjq h GLU 96 Cb 0.87 0.23 -0.27 0.00 -0.16 0.00 0.00 28.75 29.42 1gjq h GLU 96 CO 0.25 1.34 -0.88 -0.51 -1.18 0.00 0.00 179.01 178.03 1gjq s LEU 97 N -8.06 2.14 0.66 1.64 1.43 0.08 -5.05 118.68 111.52 1gjq s LEU 97 Ca -0.10 -0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 1gjq s LEU 97 Cb 0.07 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 44.98 1gjq s LEU 97 CO 0.92 0.27 1.05 -0.94 0.23 0.00 0.00 176.35 177.88 1gjq s SER 98 N -1.12 5.67 0.57 2.29 1.04 -1.26 -4.49 113.70 116.40 1gjq s SER 98 Ca 0.11 1.59 0.28 0.00 0.48 0.00 0.00 55.95 58.41 1gjq s SER 98 Cb -0.10 -2.49 1.68 0.00 0.10 0.00 0.00 66.02 65.21 1gjq s SER 98 CO 0.01 -1.25 2.20 0.11 0.98 0.00 0.00 173.24 175.29 1gjq h LYS 99 N -0.44 0.00 0.06 4.02 1.57 -1.97 -1.47 116.57 118.34 1gjq h LYS 99 Ca -0.44 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.10 1gjq h LYS 99 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1gjq h LYS 99 CO 0.58 0.04 -1.08 0.93 -0.57 0.00 0.00 179.45 179.35 1gjq h GLU 100 N 0.00 0.22 -0.09 3.15 3.07 -2.00 -2.92 114.58 116.02 1gjq h GLU 100 Ca -0.00 -0.32 -0.24 0.00 -0.50 0.00 0.00 59.36 58.30 1gjq h GLU 100 Cb 0.10 0.11 0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1gjq h GLU 100 CO 0.00 1.11 -0.88 1.96 -1.40 0.00 0.00 179.01 179.80 1gjq h GLN 101 N 0.09 0.71 -0.34 2.33 4.20 -1.70 -2.91 115.11 117.50 1gjq h GLN 101 Ca -0.09 -0.65 -0.05 0.00 0.06 0.00 0.00 58.65 57.93 1gjq h GLN 101 Cb 1.78 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 29.70 1gjq h GLN 101 CO 0.17 1.25 0.00 0.82 -0.67 0.00 0.00 178.83 180.40 1gjq h ILE 102 N 0.45 1.19 -0.32 2.54 2.04 -1.36 -0.51 117.51 121.55 1gjq h ILE 102 Ca -0.08 -0.76 -0.14 0.00 1.00 0.00 0.00 64.86 64.87 1gjq h ILE 102 Cb 1.51 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1gjq h ILE 102 CO 0.17 0.26 -0.36 0.74 0.00 0.00 0.00 178.15 178.96 1gjq h THR 103 N 0.50 1.29 -0.66 -0.27 2.02 -1.52 -1.23 112.91 113.05 1gjq h THR 103 Ca 0.11 -1.54 -0.06 0.00 0.77 0.00 0.00 66.41 65.69 1gjq h THR 103 Cb 0.32 1.54 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 1gjq h THR 103 CO 0.01 0.50 0.18 -0.07 0.37 0.00 0.00 175.52 176.52 1gjq h LEU 104 N 0.58 0.96 -0.67 2.58 3.38 -1.22 -1.67 115.31 119.25 1gjq h LEU 104 Ca 0.04 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1gjq h LEU 104 Cb 0.95 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1gjq h LEU 104 CO 0.09 0.91 -0.08 0.24 0.09 0.00 0.00 178.44 179.69 1gjq h MET 105 N 0.98 0.96 -0.35 1.13 2.86 -0.95 -0.22 114.93 119.33 1gjq h MET 105 Ca 0.21 -0.33 -0.09 0.00 -2.06 0.00 0.00 59.70 57.44 1gjq h MET 105 Cb 0.31 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1gjq h MET 105 CO -0.00 0.99 -0.15 0.00 1.06 0.00 0.00 176.91 178.81 1gjq h ALA 106 N 1.04 1.08 0.00 6.32 0.00 -0.82 -2.03 119.26 124.85 1gjq h ALA 106 Ca 0.14 -0.31 -0.21 0.00 0.00 0.00 0.00 54.91 54.53 1gjq h ALA 106 Cb 0.62 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1gjq h ALA 106 CO 0.04 0.57 -0.92 0.87 0.00 0.00 0.00 179.25 179.81 1gjq h LYS 107 N 0.58 0.32 0.17 0.00 1.57 -1.11 -3.32 116.57 114.77 1gjq h LYS 107 Ca 0.10 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 1gjq h LYS 107 Cb 0.59 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1gjq h LYS 107 CO 0.04 1.04 -0.08 -0.92 -0.57 0.00 0.00 179.45 178.96 1gjq h TYR 108 N 0.17 -0.21 0.00 -1.35 3.20 -0.76 -3.01 116.97 115.02 1gjq h TYR 108 Ca -0.07 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1gjq h TYR 108 Cb 1.55 0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.89 1gjq h TYR 108 CO 0.05 0.09 0.00 0.44 -1.64 0.00 0.00 178.16 177.09 1gjq n ILE 109 N -5.06 0.73 1.07 1.81 -5.35 -0.79 -1.27 119.36 110.50 1gjq n ILE 109 Ca -0.09 0.18 0.12 0.00 -0.27 0.00 0.00 62.75 62.69 1gjq n ILE 109 Cb 0.21 -1.05 0.19 0.00 -1.74 0.00 0.00 39.64 37.25 1gjq n ILE 109 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gjq n GLN 110 N -1.24 0.40 -3.03 6.28 6.02 -1.14 -4.25 117.38 120.42 1gjq n GLN 110 Ca 0.04 -0.27 -0.20 0.00 -0.01 0.00 0.00 57.00 56.56 1gjq n GLN 110 Cb 0.06 -1.49 0.01 0.00 1.02 0.00 0.00 30.24 29.84 1gjq n GLN 110 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1gjq s HIS 111 N -2.78 3.02 0.25 1.08 3.76 -0.40 -4.57 115.29 115.65 1gjq s HIS 111 Ca 0.15 -0.08 -0.30 0.00 -0.15 0.00 0.00 55.06 54.69 1gjq s HIS 111 Cb 0.18 -2.36 -0.10 0.00 1.11 0.00 0.00 32.58 31.41 1gjq s HIS 111 CO 0.66 -0.41 1.43 0.99 -0.85 0.00 0.00 174.74 176.56 1gjq s THR 112 N -2.47 2.68 0.23 1.30 2.01 -1.26 -4.54 115.64 113.59 1gjq s THR 112 Ca 0.51 0.57 -0.31 0.00 0.31 0.00 0.00 61.69 62.77 1gjq s THR 112 Cb -0.10 -3.37 -0.11 0.00 0.01 0.00 0.00 72.50 68.93 1gjq s THR 112 CO 0.35 0.09 1.63 -2.84 -0.69 0.00 0.00 174.62 173.16 1gjq s PRO 113 N -0.43 4.15 0.60 4.92 0.02 -1.26 -4.97 135.00 138.04 1gjq s PRO 113 Ca 0.59 2.53 -0.18 0.00 0.02 0.00 0.00 61.00 63.95 1gjq s PRO 113 Cb -0.42 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.00 1gjq s PRO 113 CO 0.44 -0.66 1.20 -2.14 -0.33 0.00 0.00 177.00 175.51 1gjq s PRO 114 N 0.50 2.92 -0.20 5.54 0.02 -1.26 -5.01 135.00 137.52 1gjq s PRO 114 Ca 0.69 1.80 -0.12 0.00 0.02 0.00 0.00 61.00 63.39 1gjq s PRO 114 Cb -0.47 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.07 1gjq s PRO 114 CO 0.38 -1.24 0.21 -0.65 -0.33 0.00 0.00 177.00 175.37 1gjq s GLN 115 N -3.39 4.17 0.67 5.54 -0.21 -1.26 -4.93 119.66 120.25 1gjq s GLN 115 Ca 0.77 -0.10 -0.10 0.00 0.02 0.00 0.00 55.36 55.95 1gjq s GLN 115 Cb -0.30 -3.47 0.01 0.00 1.00 0.00 0.00 33.01 30.25 1gjq s GLN 115 CO 0.34 0.17 1.04 -2.14 -2.12 0.00 0.00 175.29 172.58 1gjq s PRO 116 N 0.72 2.97 0.73 2.91 0.02 -1.26 -5.06 135.00 136.03 1gjq s PRO 116 Ca 0.11 0.39 -0.12 0.00 0.02 0.00 0.00 61.00 61.41 1gjq s PRO 116 Cb -0.13 -2.09 0.03 0.00 0.02 0.00 0.00 34.50 32.34 1gjq s PRO 116 CO 0.03 -0.89 1.11 -1.25 -0.33 0.00 0.00 177.00 175.66 1gjq s PRO 117 N -5.25 2.63 0.77 5.54 0.04 -1.26 -5.06 135.00 132.41 1gjq s PRO 117 Ca 0.57 0.45 -0.05 0.00 0.04 0.00 0.00 61.00 62.01 1gjq s PRO 117 Cb -0.11 -2.00 0.13 0.00 0.04 0.00 0.00 34.50 32.57 1gjq s PRO 117 CO 0.50 -1.19 1.06 -1.21 0.04 0.00 0.00 177.00 176.21 1gjq s GLU 118 N -5.35 1.53 -0.35 4.56 0.41 -1.26 -4.80 118.70 113.44 1gjq s GLU 118 Ca 0.59 -0.84 0.04 0.00 -0.41 0.00 0.00 54.97 54.34 1gjq s GLU 118 Cb -0.12 -2.21 0.16 0.00 -1.78 0.00 0.00 34.13 30.19 1gjq s GLU 118 CO 0.52 -1.62 0.44 -0.46 -0.49 0.00 0.00 175.26 173.65 1gjq s TRP 119 N -3.31 -0.85 0.00 1.61 -0.11 -1.26 -5.02 118.94 110.00 1gjq s TRP 119 Ca 0.67 -0.17 0.00 0.00 1.22 0.00 0.00 56.10 57.82 1gjq s TRP 119 Cb -0.06 -0.17 0.00 0.00 -1.50 0.00 0.00 33.47 31.74 1gjq s TRP 119 CO 0.46 -1.02 0.00 0.41 -4.62 0.00 0.00 176.95 172.18 1gjq n GLY 120 N 4.72 3.31 0.32 5.86 0.00 -1.26 -4.87 105.19 113.27 1gjq n GLY 120 Ca 0.07 -2.01 -0.04 0.00 0.00 0.00 0.00 46.02 44.04 1gjq n GLY 120 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1gjq h MET 121 N 0.00 1.08 -0.64 1.61 4.05 -2.00 -1.06 114.93 117.97 1gjq h MET 121 Ca 0.00 -0.08 0.01 0.00 -0.28 0.00 0.00 59.70 59.35 1gjq h MET 121 Cb 0.00 -0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 30.53 1gjq h MET 121 CO 0.00 0.74 0.42 -1.35 0.23 0.00 0.00 176.91 176.95 1gjq h PRO 122 N 1.11 0.83 -0.32 0.39 0.11 -1.99 -0.53 132.00 131.59 1gjq h PRO 122 Ca 0.30 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.23 1gjq h PRO 122 Cb -0.09 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.82 1gjq h PRO 122 CO -0.06 0.55 -0.31 0.93 -0.21 0.00 0.00 178.00 178.91 1gjq h GLU 123 N 0.86 0.68 -0.36 1.05 3.07 -1.91 -2.07 114.58 115.91 1gjq h GLU 123 Ca 0.23 -0.31 -0.10 0.00 -0.50 0.00 0.00 59.36 58.68 1gjq h GLU 123 Cb -0.10 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 1gjq h GLU 123 CO -0.05 0.90 -0.18 0.52 -1.40 0.00 0.00 179.01 178.80 1gjq h MET 124 N 0.58 0.75 -0.20 2.33 2.86 -0.85 -2.54 114.93 117.86 1gjq h MET 124 Ca 0.07 -0.33 -0.12 0.00 -2.06 0.00 0.00 59.70 57.26 1gjq h MET 124 Cb 0.81 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 1gjq h MET 124 CO 0.07 0.94 -0.38 0.00 1.06 0.00 0.00 176.91 178.60 1gjq h ARG 125 N 0.54 0.45 -0.22 1.72 3.08 -1.06 -1.49 114.38 117.39 1gjq h ARG 125 Ca 0.08 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 1gjq h ARG 125 Cb 0.72 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 1gjq h ARG 125 CO 0.05 0.76 -0.19 1.49 -1.07 0.00 0.00 179.97 181.02 1gjq h GLU 126 N 0.38 0.38 0.00 0.04 4.57 -1.32 -2.43 114.58 116.20 1gjq h GLU 126 Ca 0.04 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1gjq h GLU 126 Cb 0.84 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.39 1gjq h GLU 126 CO 0.07 0.56 -0.53 -1.13 -1.18 0.00 0.00 179.01 176.80 1gjq n SER 127 N -4.18 0.64 -4.69 1.04 3.41 -0.96 -4.88 113.62 104.00 1gjq n SER 127 Ca -0.00 0.11 -0.42 0.00 -0.26 0.00 0.00 58.87 58.29 1gjq n SER 127 Cb 0.34 0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.35 1gjq n SER 127 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1gjq s TRP 128 N -3.13 3.17 -0.01 7.33 -0.00 -0.59 -4.14 118.94 121.58 1gjq s TRP 128 Ca 0.08 1.21 0.02 0.00 -0.00 0.00 0.00 56.10 57.40 1gjq s TRP 128 Cb 0.14 -3.42 -0.00 0.00 -0.00 0.00 0.00 33.47 30.19 1gjq s TRP 128 CO 0.70 -1.33 -0.07 0.15 -0.00 0.00 0.00 176.95 176.40 1gjq s LYS 129 N 2.28 0.68 -0.36 5.86 1.02 -0.29 -4.98 119.74 123.96 1gjq s LYS 129 Ca 0.56 -0.25 -0.05 0.00 0.02 0.00 0.00 55.97 56.25 1gjq s LYS 129 Cb -0.24 -0.66 0.06 0.00 -0.52 0.00 0.00 37.83 36.47 1gjq s LYS 129 CO 0.21 0.12 0.12 0.08 -0.92 0.00 0.00 175.35 174.97 1gjq s VAL 130 N 0.04 3.56 0.08 3.17 1.01 -1.26 -1.58 120.40 125.41 1gjq s VAL 130 Ca -0.00 -1.42 -0.08 0.00 0.00 0.00 0.00 61.98 60.47 1gjq s VAL 130 Cb -0.05 -3.13 -0.27 0.00 0.00 0.00 0.00 36.38 32.92 1gjq s VAL 130 CO -0.00 -0.32 1.15 -0.07 0.00 0.00 0.00 175.10 175.87 1gjq h LEU 131 N 8.16 0.60 -7.43 3.92 3.38 -0.85 -3.44 115.31 119.66 1gjq h LEU 131 Ca -0.21 -0.58 -0.45 0.00 0.09 0.00 0.00 57.88 56.73 1gjq h LEU 131 Cb 1.07 -0.19 -0.39 0.00 0.09 0.00 0.00 40.66 41.24 1gjq h LEU 131 CO 0.63 1.43 -0.77 -0.69 0.09 0.00 0.00 178.44 179.13 1gjq s VAL 132 N -2.86 0.39 0.46 1.22 1.01 -0.83 -5.00 120.40 114.78 1gjq s VAL 132 Ca -0.06 -0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.67 1gjq s VAL 132 Cb 0.07 -0.62 -0.07 0.00 0.00 0.00 0.00 36.38 35.75 1gjq s VAL 132 CO 0.90 0.16 1.30 -0.54 0.00 0.00 0.00 175.10 176.91 1gjq s LYS 133 N 1.96 3.67 0.39 2.72 1.02 -1.26 -4.82 119.74 123.42 1gjq s LYS 133 Ca 0.04 2.11 0.17 0.00 0.02 0.00 0.00 55.97 58.32 1gjq s LYS 133 Cb -0.13 -2.53 1.08 0.00 -0.52 0.00 0.00 37.83 35.72 1gjq s LYS 133 CO -0.06 -0.72 1.76 -1.35 -0.92 0.00 0.00 175.35 174.06 1gjq h PRO 134 N 2.17 0.41 0.00 -1.68 0.11 -1.96 -0.56 132.00 130.49 1gjq h PRO 134 Ca -0.50 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 1gjq h PRO 134 Cb 1.26 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1gjq h PRO 134 CO 0.60 0.27 -0.48 1.05 -0.21 0.00 0.00 178.00 179.23 1gjq h GLU 135 N 0.42 0.00 -0.01 1.05 9.09 -1.99 -2.98 114.58 120.16 1gjq h GLU 135 Ca 0.60 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.01 1gjq h GLU 135 Cb 1.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.58 1gjq h GLU 135 CO -0.32 0.48 -0.20 -0.25 0.05 0.00 0.00 179.01 178.77 1gjq n ASP 136 N -3.72 1.10 -4.85 3.06 8.00 -0.26 -4.91 116.55 114.97 1gjq n ASP 136 Ca -0.01 -1.00 -0.32 0.00 0.71 0.00 0.00 54.79 54.17 1gjq n ASP 136 Cb 0.54 0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.70 1gjq n ASP 136 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1gjq s ARG 137 N -2.40 3.94 0.88 -1.24 0.52 -0.96 -4.92 118.95 114.76 1gjq s ARG 137 Ca 0.27 0.75 -0.13 0.00 -0.52 0.00 0.00 55.73 56.11 1gjq s ARG 137 Cb 0.20 -2.29 0.06 0.00 0.52 0.00 0.00 34.95 33.44 1gjq s ARG 137 CO 0.48 -0.07 0.75 -2.30 0.02 0.00 0.00 175.30 174.18 1gjq n PRO 138 N -1.11 -0.14 -0.00 3.54 -0.02 -1.26 -4.97 135.00 131.04 1gjq n PRO 138 Ca 0.05 0.02 0.08 0.00 -2.02 0.00 0.00 63.50 61.62 1gjq n PRO 138 Cb 0.54 -2.09 -0.10 0.00 -0.02 0.00 0.00 33.50 31.83 1gjq n PRO 138 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1gjq n LYS 139 N -2.44 1.31 -4.15 -0.52 5.02 -1.26 -5.01 118.16 111.11 1gjq n LYS 139 Ca 0.10 -0.05 -0.14 0.00 -2.02 0.00 0.00 58.31 56.19 1gjq n LYS 139 Cb 0.52 -1.30 -0.07 0.00 -0.02 0.00 0.00 35.03 34.16 1gjq n LYS 139 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1gjq s LYS 140 N -2.72 1.63 -0.35 1.97 -2.85 -1.26 -5.12 119.74 111.04 1gjq s LYS 140 Ca 0.02 -1.71 -0.29 0.00 -1.00 0.00 0.00 55.97 52.99 1gjq s LYS 140 Cb 0.12 0.37 0.01 0.00 -2.06 0.00 0.00 37.83 36.27 1gjq s LYS 140 CO 0.67 -0.63 1.31 -1.14 0.10 0.00 0.00 175.35 175.66 1gjq s GLN 141 N -3.59 3.80 -0.24 1.78 0.74 -1.26 -4.81 119.66 116.08 1gjq s GLN 141 Ca 0.34 1.08 0.02 0.00 0.05 0.00 0.00 55.36 56.85 1gjq s GLN 141 Cb 0.02 -3.92 0.33 0.00 1.10 0.00 0.00 33.01 30.55 1gjq s GLN 141 CO 0.18 -1.27 1.52 1.28 -0.55 0.00 0.00 175.29 176.45 1gjq n LEU 142 N 7.97 5.06 -3.86 3.68 4.77 0.82 -4.89 117.00 130.55 1gjq n LEU 142 Ca 0.15 -2.65 -0.09 0.00 -0.03 0.00 0.00 56.01 53.39 1gjq n LEU 142 Cb 0.47 -0.71 -0.05 0.00 -2.33 0.00 0.00 43.42 40.80 1gjq n LEU 142 CO 0.66 0.82 0.13 0.54 -1.33 0.00 0.00 177.39 178.21 1gjq s ASN 143 N -0.16 -0.11 -0.23 -1.43 2.20 -1.26 -4.16 114.94 109.78 1gjq s ASN 143 Ca 0.30 -0.69 0.14 0.00 -0.94 0.00 0.00 52.86 51.67 1gjq s ASN 143 Cb 0.25 0.51 0.80 0.00 -2.00 0.00 0.00 41.25 40.82 1gjq s ASN 143 CO 0.05 -0.99 1.73 0.47 -2.94 0.00 0.00 177.10 175.42 1gjq n ASP 144 N -0.29 5.62 -4.77 3.54 8.00 -1.26 -4.98 116.55 122.40 1gjq n ASP 144 Ca -0.08 -2.95 -0.38 0.00 0.71 0.00 0.00 54.79 52.09 1gjq n ASP 144 Cb 0.63 -0.68 -0.04 0.00 -0.02 0.00 0.00 41.12 41.01 1gjq n ASP 144 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1gjq s LEU 145 N -2.78 4.25 -1.25 0.64 1.43 -1.26 -4.94 118.68 114.77 1gjq s LEU 145 Ca 0.54 2.15 -0.14 0.00 -1.03 0.00 0.00 54.13 55.65 1gjq s LEU 145 Cb 0.41 -4.01 0.14 0.00 0.03 0.00 0.00 46.19 42.76 1gjq s LEU 145 CO 0.15 -0.44 1.60 -0.67 0.23 0.00 0.00 176.35 177.23 1gjq n ASP 146 N 0.28 5.08 -0.29 2.29 2.03 -1.26 -4.86 116.55 119.81 1gjq n ASP 146 Ca 0.03 -2.98 0.10 0.00 0.52 0.00 0.00 54.79 52.47 1gjq n ASP 146 Cb 0.48 -1.60 0.26 0.00 -0.72 0.00 0.00 41.12 39.53 1gjq n ASP 146 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1gjq h LEU 147 N 10.14 0.31 -1.95 -2.67 3.38 -1.96 -2.16 115.31 120.40 1gjq h LEU 147 Ca 0.37 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.47 1gjq h LEU 147 Cb 0.83 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1gjq h LEU 147 CO 1.37 0.05 -0.03 -0.65 0.09 0.00 0.00 178.44 179.27 1gjq h PRO 148 N 0.43 0.00 -0.61 1.13 0.11 -1.94 -2.63 132.00 128.50 1gjq h PRO 148 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 1gjq h PRO 148 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1gjq h PRO 148 CO -0.48 0.03 0.00 -1.71 -0.21 0.00 0.00 178.00 175.63 1gjq n ASN 149 N -4.50 5.49 -4.82 -2.05 5.15 -0.82 -1.30 115.26 112.41 1gjq n ASN 149 Ca -0.03 -2.80 -0.35 0.00 -0.60 0.00 0.00 54.58 50.81 1gjq n ASN 149 Cb 0.11 -0.66 -0.06 0.00 -0.53 0.00 0.00 39.78 38.64 1gjq n ASN 149 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1gjq s LEU 150 N -2.50 4.22 -0.07 1.20 2.96 -0.99 -1.97 118.68 121.53 1gjq s LEU 150 Ca 0.54 1.48 0.02 0.00 -0.22 0.00 0.00 54.13 55.95 1gjq s LEU 150 Cb 0.39 -3.89 -0.03 0.00 0.50 0.00 0.00 46.19 43.16 1gjq s LEU 150 CO 0.18 -0.09 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.65 1gjq s PHE 151 N -1.73 2.81 -0.53 5.38 0.40 -0.15 -0.83 117.98 123.32 1gjq s PHE 151 Ca 0.49 -0.19 -0.08 0.00 -0.60 0.00 0.00 56.93 56.55 1gjq s PHE 151 Cb -0.14 -1.71 0.14 0.00 0.51 0.00 0.00 43.02 41.82 1gjq s PHE 151 CO 0.20 0.15 0.39 0.45 0.70 0.00 0.00 175.22 177.11 1gjq s SER 152 N -0.51 5.69 -0.18 1.36 0.15 -0.22 -1.43 113.70 118.56 1gjq s SER 152 Ca 0.07 -2.17 -0.14 0.00 0.70 0.00 0.00 55.95 54.41 1gjq s SER 152 Cb -0.12 -1.99 -0.04 0.00 -1.71 0.00 0.00 66.02 62.16 1gjq s SER 152 CO 0.02 -0.61 0.31 -0.69 1.20 0.00 0.00 173.24 173.46 1gjq s VAL 153 N 0.96 5.28 0.03 4.45 1.01 -0.19 -1.81 120.40 130.14 1gjq s VAL 153 Ca 0.09 0.54 -0.29 0.00 0.00 0.00 0.00 61.98 62.32 1gjq s VAL 153 Cb -0.23 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1gjq s VAL 153 CO -0.02 0.34 0.94 -0.89 0.00 0.00 0.00 175.10 175.46 1gjq s THR 154 N 0.81 4.77 -0.88 3.92 2.01 0.03 -0.14 115.64 126.17 1gjq s THR 154 Ca 0.16 1.99 0.00 0.00 0.31 0.00 0.00 61.69 64.15 1gjq s THR 154 Cb -0.14 -4.29 0.27 0.00 0.01 0.00 0.00 72.50 68.36 1gjq s THR 154 CO 0.05 0.23 1.04 0.18 -0.69 0.00 0.00 174.62 175.43 1gjq n LEU 155 N 3.50 4.91 0.00 4.42 4.77 -0.24 -2.06 117.00 132.31 1gjq n LEU 155 Ca 0.04 -5.28 0.00 0.00 -0.03 0.00 0.00 56.01 50.74 1gjq n LEU 155 Cb 0.50 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1gjq n LEU 155 CO 0.51 1.80 0.05 -1.14 -1.33 0.00 0.00 177.39 177.28 1gjq n ARG 156 N 1.39 0.00 0.31 3.23 0.63 -0.84 -2.23 116.66 119.14 1gjq n ARG 156 Ca 0.26 0.10 0.21 0.00 -0.92 0.00 0.00 57.85 57.50 1gjq n ARG 156 Cb 0.37 -0.24 1.08 0.00 0.45 0.00 0.00 32.46 34.12 1gjq n ARG 156 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1gjq h ASP 157 N 0.00 0.00 1.43 6.15 5.19 -1.80 -2.34 116.42 125.05 1gjq h ASP 157 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1gjq h ASP 157 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1gjq h ASP 157 CO 0.00 0.00 -0.10 0.00 -3.12 0.00 0.00 179.24 176.02 1gjq h ALA 158 N 2.00 0.93 -2.88 3.45 0.00 -1.71 -3.47 119.26 117.58 1gjq h ALA 158 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1gjq h ALA 158 Cb 0.10 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.94 1gjq h ALA 158 CO 0.00 0.00 -0.33 0.41 0.00 0.00 0.00 179.25 179.33 1gjq n GLY 159 N 1.29 0.11 3.20 0.00 0.00 -0.90 -4.95 105.19 103.94 1gjq n GLY 159 Ca 0.05 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 1gjq n GLY 159 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gjq s GLN 160 N -5.33 1.22 0.16 1.61 -0.21 -1.20 -0.98 119.66 114.93 1gjq s GLN 160 Ca 0.21 -1.64 0.05 0.00 0.02 0.00 0.00 55.36 54.00 1gjq s GLN 160 Cb -0.09 0.27 -0.04 0.00 1.00 0.00 0.00 33.01 34.14 1gjq s GLN 160 CO 0.26 -0.40 -0.11 0.96 -2.12 0.00 0.00 175.29 173.88 1gjq s ILE 161 N -4.14 1.29 -0.03 1.08 -4.36 -0.73 -1.08 121.20 113.23 1gjq s ILE 161 Ca 0.39 -2.09 0.02 0.00 -0.26 0.00 0.00 60.65 58.71 1gjq s ILE 161 Cb 0.07 -1.90 0.01 0.00 1.25 0.00 0.00 42.46 41.89 1gjq s ILE 161 CO 0.12 -0.71 -0.08 0.00 0.24 0.00 0.00 174.94 174.52 1gjq s ALA 162 N -3.25 0.84 -0.39 2.27 0.00 0.81 -1.55 121.76 120.49 1gjq s ALA 162 Ca 0.18 -0.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.71 1gjq s ALA 162 Cb 0.02 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1gjq s ALA 162 CO 0.02 0.10 0.37 -0.51 0.00 0.00 0.00 175.76 175.75 1gjq s LEU 163 N 0.38 4.73 -0.18 0.00 1.43 -0.30 -1.02 118.68 123.72 1gjq s LEU 163 Ca -0.06 -0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 52.45 1gjq s LEU 163 Cb -0.10 -2.31 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 1gjq s LEU 163 CO 0.01 -0.45 0.00 -0.69 0.23 0.00 0.00 176.35 175.45 1gjq s VAL 164 N 1.99 4.15 -0.09 -1.59 1.01 -0.52 -0.53 120.40 124.82 1gjq s VAL 164 Ca 0.10 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 1gjq s VAL 164 Cb -0.17 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1gjq s VAL 164 CO 0.12 0.46 1.46 -0.62 0.00 0.00 0.00 175.10 176.52 1gjq s ASP 165 N 0.60 6.81 0.20 3.32 2.15 -0.68 -0.98 116.67 128.09 1gjq s ASP 165 Ca -0.00 1.99 -0.11 0.00 0.43 0.00 0.00 52.55 54.86 1gjq s ASP 165 Cb -0.14 -2.54 0.24 0.00 -0.30 0.00 0.00 42.92 40.18 1gjq s ASP 165 CO 0.02 -0.83 1.73 1.23 -0.17 0.00 0.00 175.17 177.15 1gjq h GLY 166 N 9.76 0.73 0.55 2.66 0.00 -1.74 -1.76 103.07 113.27 1gjq h GLY 166 Ca -0.34 -0.07 -0.10 0.00 0.00 0.00 0.00 47.33 46.83 1gjq h GLY 166 CO 0.95 -0.05 -0.37 -0.55 0.00 0.00 0.00 176.54 176.52 1gjq h ASP 167 N 0.31 0.32 1.48 0.19 3.32 -1.92 -3.36 116.42 116.76 1gjq h ASP 167 Ca 0.28 -0.78 -0.09 0.00 0.02 0.00 0.00 57.03 56.46 1gjq h ASP 167 Cb 0.36 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1gjq h ASP 167 CO -0.32 1.07 -0.42 0.77 -1.72 0.00 0.00 179.24 178.61 1gjq h SER 168 N -0.39 0.00 -0.71 6.45 4.64 -1.98 -3.48 113.55 118.09 1gjq h SER 168 Ca -0.05 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.12 1gjq h SER 168 Cb 1.13 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.18 1gjq h SER 168 CO 0.07 0.42 -0.17 0.29 -0.87 0.00 0.00 176.83 176.58 1gjq n LYS 169 N -3.24 -0.57 -4.23 4.77 4.01 -0.66 -5.05 118.16 113.19 1gjq n LYS 169 Ca 0.02 0.58 -0.28 0.00 -0.51 0.00 0.00 58.31 58.12 1gjq n LYS 169 Cb 0.68 -4.45 -0.09 0.00 -0.51 0.00 0.00 35.03 30.66 1gjq n LYS 169 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1gjq s LYS 170 N -3.46 2.20 -0.25 1.97 1.02 -1.25 -4.85 119.74 115.12 1gjq s LYS 170 Ca 0.00 -1.10 -0.29 0.00 0.02 0.00 0.00 55.97 54.60 1gjq s LYS 170 Cb 0.00 -2.29 0.01 0.00 -0.52 0.00 0.00 37.83 35.03 1gjq s LYS 170 CO 0.00 0.48 1.07 0.42 -0.92 0.00 0.00 175.35 176.40 1gjq s ILE 171 N -1.48 4.60 -0.03 2.17 1.01 -1.26 -1.69 121.20 124.53 1gjq s ILE 171 Ca 0.24 1.92 -0.09 0.00 0.00 0.00 0.00 60.65 62.72 1gjq s ILE 171 Cb -0.10 -4.31 -0.30 0.00 0.01 0.00 0.00 42.46 37.76 1gjq s ILE 171 CO 0.16 -0.25 0.74 0.58 0.00 0.00 0.00 174.94 176.17 1gjq h VAL 172 N 5.52 1.01 -1.94 2.92 2.07 -1.18 -3.49 116.25 121.16 1gjq h VAL 172 Ca -0.20 -2.60 -0.02 0.00 0.82 0.00 0.00 66.70 64.70 1gjq h VAL 172 Cb 1.06 2.78 -0.22 0.00 -1.52 0.00 0.00 31.29 33.40 1gjq h VAL 172 CO 0.99 0.84 0.18 -0.75 0.02 0.00 0.00 177.57 178.85 1gjq s LYS 173 N -2.59 0.79 -0.17 1.57 2.47 -1.21 -5.01 119.74 115.59 1gjq s LYS 173 Ca -0.14 0.94 -0.02 0.00 -1.56 0.00 0.00 55.97 55.19 1gjq s LYS 173 Cb 0.06 0.38 -0.02 0.00 -1.46 0.00 0.00 37.83 36.79 1gjq s LYS 173 CO 0.86 -0.09 -0.07 0.08 0.16 0.00 0.00 175.35 176.28 1gjq s VAL 174 N 0.37 3.40 -0.05 4.02 1.01 -1.26 -1.15 120.40 126.74 1gjq s VAL 174 Ca 0.00 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1gjq s VAL 174 Cb -0.05 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 1gjq s VAL 174 CO -0.00 0.48 -0.25 -0.63 0.00 0.00 0.00 175.10 174.70 1gjq s ILE 175 N 0.72 2.03 -0.09 2.22 1.01 -0.59 -4.99 121.20 121.51 1gjq s ILE 175 Ca -0.03 -1.06 -0.30 0.00 0.00 0.00 0.00 60.65 59.26 1gjq s ILE 175 Cb -0.15 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 1gjq s ILE 175 CO 0.02 0.57 1.24 -1.81 0.00 0.00 0.00 174.94 174.95 1gjq s ASP 176 N -0.25 7.00 0.00 3.58 1.01 -1.26 -1.78 116.67 124.96 1gjq s ASP 176 Ca -0.01 1.79 0.00 0.00 0.71 0.00 0.00 52.55 55.04 1gjq s ASP 176 Cb -0.13 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.25 1gjq s ASP 176 CO 0.03 -0.66 0.00 0.35 0.21 0.00 0.00 175.17 175.10 1gjq n THR 177 N 4.90 0.00 -2.07 -1.27 -2.24 -0.15 -4.96 114.28 108.48 1gjq n THR 177 Ca 0.12 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.62 1gjq n THR 177 Cb 0.46 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.74 1gjq n THR 177 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1gjq s GLY 178 N 0.00 1.63 0.13 3.38 0.00 -1.26 -4.75 107.32 106.45 1gjq s GLY 178 Ca 0.00 -0.61 -0.31 0.00 0.00 0.00 0.00 44.72 43.80 1gjq s GLY 178 CO 0.00 -0.23 1.34 -0.47 0.00 0.00 0.00 173.10 173.74 1gjq s TYR 179 N -3.30 3.28 -0.71 1.90 5.04 -1.26 -4.10 117.35 118.19 1gjq s TYR 179 Ca 0.58 1.08 -0.07 0.00 -2.44 0.00 0.00 57.07 56.22 1gjq s TYR 179 Cb -0.11 -3.62 0.01 0.00 0.35 0.00 0.00 41.96 38.59 1gjq s TYR 179 CO 0.48 -2.08 0.64 0.00 -1.34 0.00 0.00 175.55 173.25 1gjq n ALA 180 N 3.60 -2.67 -1.69 3.97 0.00 -1.10 -1.68 120.51 120.95 1gjq n ALA 180 Ca 0.10 0.02 -0.44 0.00 0.00 0.00 0.00 53.44 53.12 1gjq n ALA 180 Cb 0.43 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.42 1gjq n ALA 180 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1gjq n VAL 181 N -1.83 0.13 -0.08 0.00 0.31 -1.26 -2.42 118.33 113.19 1gjq n VAL 181 Ca -0.16 -0.02 -0.14 0.00 -0.01 0.00 0.00 64.34 64.01 1gjq n VAL 181 Cb 0.62 -1.84 -0.10 0.00 -0.91 0.00 0.00 33.84 31.61 1gjq n VAL 181 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1gjq h HIS 182 N 7.07 0.00 -4.18 3.52 2.76 -1.53 -3.47 115.15 119.32 1gjq h HIS 182 Ca -0.45 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 57.50 1gjq h HIS 182 Cb 1.23 0.00 -0.15 0.00 1.55 0.00 0.00 27.41 30.04 1gjq h HIS 182 CO 0.69 0.92 -0.65 0.96 -1.30 0.00 0.00 177.93 178.55 1gjq s ILE 183 N -2.17 0.31 -0.02 6.26 -4.36 -1.26 -4.79 121.20 115.16 1gjq s ILE 183 Ca -0.19 -1.93 0.06 0.00 -0.26 0.00 0.00 60.65 58.32 1gjq s ILE 183 Cb 0.01 -2.06 -0.01 0.00 1.25 0.00 0.00 42.46 41.64 1gjq s ILE 183 CO 0.52 -0.48 -0.19 -0.44 0.24 0.00 0.00 174.94 174.58 1gjq s SER 184 N -3.09 2.31 0.03 4.36 0.01 -1.26 -3.36 113.70 112.70 1gjq s SER 184 Ca 0.24 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 57.15 1gjq s SER 184 Cb 0.07 -0.37 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 1gjq s SER 184 CO 0.02 0.22 -0.07 -0.13 0.41 0.00 0.00 173.24 173.69 1gjq s ARG 185 N -0.32 0.50 0.16 12.44 1.81 0.46 -4.98 118.95 129.02 1gjq s ARG 185 Ca 0.04 -0.67 0.04 0.00 -1.72 0.00 0.00 55.73 53.43 1gjq s ARG 185 Cb -0.09 -0.29 -0.04 0.00 -0.45 0.00 0.00 34.95 34.09 1gjq s ARG 185 CO 0.00 0.05 0.15 -1.64 -0.68 0.00 0.00 175.30 173.19 1gjq s MET 186 N -1.36 2.98 0.66 3.54 -1.94 -1.26 0.30 119.30 122.21 1gjq s MET 186 Ca -0.09 -0.81 -0.11 0.00 -1.71 0.00 0.00 55.69 52.97 1gjq s MET 186 Cb -0.09 -2.70 -0.01 0.00 2.01 0.00 0.00 34.83 34.04 1gjq s MET 186 CO 0.00 0.50 1.06 -1.54 -0.01 0.00 0.00 175.02 175.03 1gjq s SER 187 N -3.07 5.85 0.59 3.03 1.04 -0.14 -4.73 113.70 116.28 1gjq s SER 187 Ca 0.31 1.34 0.33 0.00 0.48 0.00 0.00 55.95 58.41 1gjq s SER 187 Cb -0.10 -2.29 1.86 0.00 0.10 0.00 0.00 66.02 65.59 1gjq s SER 187 CO 0.24 -1.11 2.23 0.00 0.98 0.00 0.00 173.24 175.58 1gjq h ALA 188 N -0.49 1.32 0.00 5.32 0.00 -1.91 -2.11 119.26 121.39 1gjq h ALA 188 Ca -0.44 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 1gjq h ALA 188 Cb 1.21 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1gjq h ALA 188 CO 0.62 0.04 -0.73 0.66 0.00 0.00 0.00 179.25 179.83 1gjq h SER 189 N 0.00 0.00 0.00 0.00 4.64 -1.94 -3.48 113.55 112.77 1gjq h SER 189 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gjq h SER 189 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1gjq h SER 189 CO 0.00 0.64 0.00 0.61 -0.87 0.00 0.00 176.83 177.21 1gjq n GLY 190 N 1.28 0.76 0.13 -0.77 0.00 -0.79 -4.96 105.19 100.83 1gjq n GLY 190 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 1gjq n GLY 190 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1gjq n ARG 191 N -2.48 0.69 -3.85 1.61 0.63 -1.26 -4.94 116.66 107.05 1gjq n ARG 191 Ca 0.00 0.31 -0.35 0.00 -0.92 0.00 0.00 57.85 56.89 1gjq n ARG 191 Cb 0.00 -1.67 -0.08 0.00 0.45 0.00 0.00 32.46 31.16 1gjq n ARG 191 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1gjq s TYR 192 N -2.50 3.43 -0.20 -0.14 2.02 -1.26 -1.77 117.35 116.92 1gjq s TYR 192 Ca -0.27 0.34 -0.09 0.00 -0.37 0.00 0.00 57.07 56.68 1gjq s TYR 192 Cb 0.07 -2.06 -0.04 0.00 -0.40 0.00 0.00 41.96 39.53 1gjq s TYR 192 CO 0.68 0.41 0.10 -1.17 -1.57 0.00 0.00 175.55 173.99 1gjq s LEU 193 N -0.10 3.92 -0.18 -1.29 0.20 -0.05 -0.96 118.68 120.22 1gjq s LEU 193 Ca 0.09 0.09 -0.02 0.00 0.69 0.00 0.00 54.13 54.99 1gjq s LEU 193 Cb -0.12 -2.02 -0.01 0.00 -0.43 0.00 0.00 46.19 43.62 1gjq s LEU 193 CO 0.00 0.13 -0.09 -0.76 -0.29 0.00 0.00 176.35 175.34 1gjq s LEU 194 N 0.63 2.76 0.03 -0.68 1.43 0.15 -0.33 118.68 122.67 1gjq s LEU 194 Ca 0.05 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 52.83 1gjq s LEU 194 Cb -0.13 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 1gjq s LEU 194 CO 0.01 0.07 -0.16 0.68 0.23 0.00 0.00 176.35 177.18 1gjq s VAL 195 N 0.95 1.24 -0.04 -1.59 -7.23 -0.77 -0.40 120.40 112.57 1gjq s VAL 195 Ca -0.02 -0.96 0.02 0.00 -1.81 0.00 0.00 61.98 59.21 1gjq s VAL 195 Cb -0.15 -1.10 0.01 0.00 0.56 0.00 0.00 36.38 35.71 1gjq s VAL 195 CO -0.00 0.12 -0.08 -0.51 -0.31 0.00 0.00 175.10 174.32 1gjq s ILE 196 N -0.73 0.75 0.61 -0.62 2.07 -1.21 -1.04 121.20 121.04 1gjq s ILE 196 Ca 0.04 -0.30 -0.06 0.00 -1.41 0.00 0.00 60.65 58.92 1gjq s ILE 196 Cb -0.08 -0.70 0.02 0.00 0.13 0.00 0.00 42.46 41.83 1gjq s ILE 196 CO 0.01 0.25 0.93 -0.83 -1.91 0.00 0.00 174.94 173.39 1gjq s GLY 197 N 0.51 1.63 0.01 1.50 0.00 -0.15 -1.43 107.32 109.39 1gjq s GLY 197 Ca -0.08 -0.74 0.19 0.00 0.00 0.00 0.00 44.72 44.09 1gjq s GLY 197 CO 0.01 -0.43 1.61 -0.96 0.00 0.00 0.00 173.10 173.33 1gjq n ARG 198 N -2.65 0.01 -0.16 2.90 1.85 -0.68 -1.80 116.66 116.12 1gjq n ARG 198 Ca 0.05 0.18 0.08 0.00 -1.00 0.00 0.00 57.85 57.16 1gjq n ARG 198 Cb 0.58 -1.51 0.24 0.00 -1.05 0.00 0.00 32.46 30.72 1gjq n ARG 198 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1gjq n ASP 199 N -1.53 2.06 -0.46 2.89 5.68 -1.26 -1.85 116.55 122.10 1gjq n ASP 199 Ca 0.05 -1.91 -0.06 0.00 -0.50 0.00 0.00 54.79 52.37 1gjq n ASP 199 Cb 0.23 -0.22 -0.03 0.00 -1.14 0.00 0.00 41.12 39.96 1gjq n ASP 199 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1gjq n ALA 200 N 0.61 -0.09 -2.66 2.12 0.00 -0.74 -4.48 120.51 115.27 1gjq n ALA 200 Ca 0.15 0.10 -0.40 0.00 0.00 0.00 0.00 53.44 53.28 1gjq n ALA 200 Cb 0.35 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.70 1gjq n ALA 200 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1gjq s ARG 201 N -2.07 4.21 -0.03 0.00 3.52 -1.26 -1.48 118.95 121.83 1gjq s ARG 201 Ca 0.00 0.68 -0.03 0.00 -0.13 0.00 0.00 55.73 56.25 1gjq s ARG 201 Cb 0.00 -3.59 -0.04 0.00 -1.56 0.00 0.00 34.95 29.76 1gjq s ARG 201 CO 0.00 -0.28 0.13 0.42 -0.81 0.00 0.00 175.30 174.75 1gjq s ILE 202 N 2.05 5.13 -0.06 4.11 1.01 0.11 -0.98 121.20 132.58 1gjq s ILE 202 Ca 0.30 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.78 1gjq s ILE 202 Cb -0.16 -3.33 0.02 0.00 0.01 0.00 0.00 42.46 39.00 1gjq s ILE 202 CO 0.10 0.41 -0.07 -1.81 0.00 0.00 0.00 174.94 173.58 1gjq s ASP 203 N -1.62 1.31 -0.27 3.58 1.01 -0.20 -2.55 116.67 117.93 1gjq s ASP 203 Ca 0.22 -0.19 -0.08 0.00 0.71 0.00 0.00 52.55 53.22 1gjq s ASP 203 Cb -0.12 -0.59 -0.02 0.00 1.01 0.00 0.00 42.92 43.20 1gjq s ASP 203 CO 0.13 -0.04 0.10 -0.32 0.21 0.00 0.00 175.17 175.25 1gjq s MET 204 N 0.96 3.50 -0.16 8.23 -2.45 -0.53 -1.84 119.30 127.01 1gjq s MET 204 Ca -0.10 -0.59 -0.03 0.00 -1.25 0.00 0.00 55.69 53.72 1gjq s MET 204 Cb -0.15 -3.40 -0.02 0.00 1.25 0.00 0.00 34.83 32.51 1gjq s MET 204 CO 0.00 -0.28 -0.06 0.42 1.05 0.00 0.00 175.02 176.15 1gjq s ILE 205 N 1.60 3.57 -0.40 10.11 1.01 0.56 -0.77 121.20 136.88 1gjq s ILE 205 Ca 0.05 -0.47 -0.23 0.00 0.00 0.00 0.00 60.65 60.01 1gjq s ILE 205 Cb -0.16 -2.56 0.02 0.00 0.01 0.00 0.00 42.46 39.77 1gjq s ILE 205 CO 0.04 0.49 0.76 -0.62 0.00 0.00 0.00 174.94 175.61 1gjq s ASP 206 N 0.55 6.47 0.00 3.58 2.15 -0.03 -0.87 116.67 128.51 1gjq s ASP 206 Ca -0.05 0.11 0.31 0.00 0.43 0.00 0.00 52.55 53.36 1gjq s ASP 206 Cb -0.15 -2.38 1.69 0.00 -0.30 0.00 0.00 42.92 41.78 1gjq s ASP 206 CO 0.03 -0.80 2.12 0.18 -0.17 0.00 0.00 175.17 176.54 1gjq n LEU 207 N 6.50 0.08 0.05 -1.34 4.77 -0.73 -2.87 117.00 123.46 1gjq n LEU 207 Ca 0.02 0.10 0.11 0.00 -0.03 0.00 0.00 56.01 56.21 1gjq n LEU 207 Cb 0.48 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1gjq n LEU 207 CO 0.55 0.01 -0.07 0.79 -1.33 0.00 0.00 177.39 177.35 1gjq n TRP 208 N -1.07 0.47 -1.13 -1.77 7.02 -1.26 -4.77 117.44 114.92 1gjq n TRP 208 Ca 0.19 0.14 -0.31 0.00 -1.02 0.00 0.00 57.50 56.50 1gjq n TRP 208 Cb 0.18 -0.62 0.12 0.00 -2.42 0.00 0.00 31.31 28.57 1gjq n TRP 208 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gjq s ALA 209 N -3.29 1.87 0.31 6.99 0.00 -1.24 -0.13 121.76 126.28 1gjq s ALA 209 Ca 0.01 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.23 1gjq s ALA 209 Cb 0.13 -3.28 0.81 0.00 0.00 0.00 0.00 23.12 20.78 1gjq s ALA 209 CO 0.81 -2.14 1.57 0.87 0.00 0.00 0.00 175.76 176.87 1gjq h LYS 210 N -1.40 0.00 -4.18 0.00 1.79 -1.94 -3.34 116.57 107.51 1gjq h LYS 210 Ca -0.45 -0.00 -0.42 0.00 -2.18 0.00 0.00 60.65 57.59 1gjq h LYS 210 Cb 1.25 -0.00 -0.33 0.00 -1.58 0.00 0.00 32.23 31.57 1gjq h LYS 210 CO 0.51 0.00 -0.78 -1.21 -1.08 0.00 0.00 179.45 176.89 1gjq s GLU 211 N -5.97 0.97 -0.37 3.15 2.02 -1.26 -4.63 118.70 112.60 1gjq s GLU 211 Ca -0.13 -0.18 -0.33 0.00 0.02 0.00 0.00 54.97 54.35 1gjq s GLU 211 Cb 0.30 -0.91 -0.10 0.00 0.10 0.00 0.00 34.13 33.51 1gjq s GLU 211 CO 0.78 -0.03 2.25 -2.30 0.02 0.00 0.00 175.26 175.98 1gjq n PRO 212 N 3.86 1.16 -4.43 0.39 -0.02 -1.25 -4.93 135.00 129.78 1gjq n PRO 212 Ca -0.24 0.29 -0.23 0.00 -2.02 0.00 0.00 63.50 61.30 1gjq n PRO 212 Cb 0.52 -2.64 -0.10 0.00 -0.02 0.00 0.00 33.50 31.26 1gjq n PRO 212 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1gjq s THR 213 N 8.06 2.25 0.09 3.45 -4.23 -1.14 -4.92 115.64 119.21 1gjq s THR 213 Ca 1.08 -2.27 -0.31 0.00 -1.18 0.00 0.00 61.69 59.02 1gjq s THR 213 Cb -0.73 -2.18 -0.06 0.00 1.34 0.00 0.00 72.50 70.87 1gjq s THR 213 CO 0.44 -0.38 1.21 -0.54 -0.54 0.00 0.00 174.62 174.81 1gjq s LYS 214 N -3.33 4.44 -0.02 3.99 1.02 -1.26 -0.85 119.74 123.73 1gjq s LYS 214 Ca 0.26 1.81 0.14 0.00 0.02 0.00 0.00 55.97 58.20 1gjq s LYS 214 Cb -0.05 -3.32 -0.21 0.00 -0.52 0.00 0.00 37.83 33.74 1gjq s LYS 214 CO 0.12 -0.23 0.31 1.33 -0.92 0.00 0.00 175.35 175.96 1gjq n VAL 215 N 3.63 0.00 -3.49 3.17 0.24 0.05 -4.55 118.33 117.39 1gjq n VAL 215 Ca 0.08 -0.31 -0.13 0.00 -2.04 0.00 0.00 64.34 61.95 1gjq n VAL 215 Cb 0.46 0.22 -0.03 0.00 -1.47 0.00 0.00 33.84 33.02 1gjq n VAL 215 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gjq s ALA 216 N -2.92 -1.74 0.05 2.33 0.00 -1.23 -0.16 121.76 118.09 1gjq s ALA 216 Ca -0.05 0.98 -0.15 0.00 0.00 0.00 0.00 51.96 52.75 1gjq s ALA 216 Cb 0.09 0.33 0.02 0.00 0.00 0.00 0.00 23.12 23.56 1gjq s ALA 216 CO 0.57 -0.58 0.34 -1.83 0.00 0.00 0.00 175.76 174.26 1gjq s GLU 217 N -2.56 0.86 -0.01 0.00 -1.05 -0.61 -1.45 118.70 113.87 1gjq s GLU 217 Ca -0.02 -0.49 -0.28 0.00 -0.15 0.00 0.00 54.97 54.03 1gjq s GLU 217 Cb -0.01 0.38 0.10 0.00 -0.44 0.00 0.00 34.13 34.16 1gjq s GLU 217 CO -0.04 -0.29 0.83 -1.50 0.95 0.00 0.00 175.26 175.21 1gjq s ILE 218 N -2.67 0.00 -0.22 1.83 2.07 -1.06 -1.14 121.20 120.01 1gjq s ILE 218 Ca -0.04 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.21 1gjq s ILE 218 Cb -0.00 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.62 1gjq s ILE 218 CO -0.04 0.00 -0.14 -0.75 -1.91 0.00 0.00 174.94 172.10 1gjq s LYS 219 N -2.54 2.69 0.00 3.50 2.20 -1.26 0.06 119.74 124.40 1gjq s LYS 219 Ca 0.01 -1.04 0.24 0.00 -0.36 0.00 0.00 55.97 54.81 1gjq s LYS 219 Cb -0.01 -2.75 0.65 0.00 -1.51 0.00 0.00 37.83 34.20 1gjq s LYS 219 CO -0.05 -0.37 1.51 0.44 -0.36 0.00 0.00 175.35 176.52 1gjq n ILE 220 N 4.56 0.19 -3.13 5.43 -6.64 -0.55 -4.53 119.36 114.69 1gjq n ILE 220 Ca -0.18 -0.44 0.00 0.00 -1.77 0.00 0.00 62.75 60.36 1gjq n ILE 220 Cb 0.47 0.73 0.00 0.00 -1.44 0.00 0.00 39.64 39.40 1gjq n ILE 220 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1gjq n GLY 221 N 1.26 -0.93 0.10 3.28 0.00 -1.26 -4.89 105.19 102.76 1gjq n GLY 221 Ca 0.17 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 1gjq n GLY 221 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1gjq n ILE 222 N 1.16 1.51 -3.82 -0.61 -0.00 0.47 -4.61 119.36 113.47 1gjq n ILE 222 Ca 0.00 -0.78 -0.13 0.00 -0.00 0.00 0.00 62.75 61.84 1gjq n ILE 222 Cb 0.00 -0.89 -0.14 0.00 -0.00 0.00 0.00 39.64 38.61 1gjq n ILE 222 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 1gjq s GLU 223 N -2.53 0.09 0.29 0.38 2.12 -0.59 -4.32 118.70 114.13 1gjq s GLU 223 Ca -0.13 0.18 -0.11 0.00 0.36 0.00 0.00 54.97 55.26 1gjq s GLU 223 Cb 0.07 -0.02 0.01 0.00 0.26 0.00 0.00 34.13 34.45 1gjq s GLU 223 CO 0.79 -0.05 0.54 0.00 -0.54 0.00 0.00 175.26 175.99 1gjq s ALA 224 N 0.34 -0.14 0.00 6.30 0.00 -0.77 0.02 121.76 127.51 1gjq s ALA 224 Ca -0.02 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1gjq s ALA 224 Cb -0.04 1.02 0.00 0.00 0.00 0.00 0.00 23.12 24.11 1gjq s ALA 224 CO -0.01 -0.87 0.00 0.54 0.00 0.00 0.00 175.76 175.42 1gjq n ARG 225 N -0.45 0.00 -4.49 0.00 5.12 -1.18 -4.27 116.66 111.39 1gjq n ARG 225 Ca -0.02 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.60 1gjq n ARG 225 Cb 0.61 -0.46 -0.13 0.00 -1.16 0.00 0.00 32.46 31.33 1gjq n ARG 225 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1gjq s SER 226 N -2.31 3.48 0.02 0.55 0.15 -1.24 -4.37 113.70 109.98 1gjq s SER 226 Ca 0.00 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.01 1gjq s SER 226 Cb 0.00 -0.35 -0.02 0.00 -1.71 0.00 0.00 66.02 63.94 1gjq s SER 226 CO 0.00 0.20 -0.03 0.54 1.20 0.00 0.00 173.24 175.15 1gjq s VAL 227 N -1.02 0.11 0.15 4.45 0.11 -1.26 -1.24 120.40 121.69 1gjq s VAL 227 Ca 0.15 -0.84 -0.20 0.00 -2.93 0.00 0.00 61.98 58.16 1gjq s VAL 227 Cb -0.10 -0.25 0.05 0.00 -1.53 0.00 0.00 36.38 34.55 1gjq s VAL 227 CO 0.06 -0.46 0.51 -0.70 -3.33 0.00 0.00 175.10 171.19 1gjq s GLU 228 N -1.34 1.19 0.16 1.54 2.56 0.17 -4.87 118.70 118.12 1gjq s GLU 228 Ca -0.15 -0.58 0.10 0.00 0.00 0.00 0.00 54.97 54.34 1gjq s GLU 228 Cb -0.09 0.54 -0.04 0.00 2.00 0.00 0.00 34.13 36.53 1gjq s GLU 228 CO -0.01 -0.50 -0.23 0.45 -0.56 0.00 0.00 175.26 174.41 1gjq s SER 229 N -2.78 3.14 -0.00 -1.70 0.15 -1.26 -0.84 113.70 110.41 1gjq s SER 229 Ca 0.02 -0.82 -0.30 0.00 0.70 0.00 0.00 55.95 55.55 1gjq s SER 229 Cb 0.00 -0.21 -0.07 0.00 -1.71 0.00 0.00 66.02 64.03 1gjq s SER 229 CO -0.12 0.09 1.64 -0.94 1.20 0.00 0.00 173.24 175.11 1gjq s SER 230 N -2.45 6.65 0.00 5.45 1.04 -0.71 -4.62 113.70 119.06 1gjq s SER 230 Ca 0.16 2.33 0.06 0.00 0.48 0.00 0.00 55.95 58.99 1gjq s SER 230 Cb -0.08 -2.55 0.12 0.00 0.10 0.00 0.00 66.02 63.61 1gjq s SER 230 CO 0.08 -0.90 0.94 0.29 0.98 0.00 0.00 173.24 174.63 1gjq n LYS 231 N 6.43 1.56 -2.61 4.02 5.02 -1.26 -4.25 118.16 127.06 1gjq n LYS 231 Ca 0.16 -1.39 -0.38 0.00 -2.02 0.00 0.00 58.31 54.69 1gjq n LYS 231 Cb 0.42 -1.13 -0.05 0.00 -0.02 0.00 0.00 35.03 34.25 1gjq n LYS 231 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1gjq s PHE 232 N -0.78 3.51 0.03 2.13 5.36 -1.21 -4.77 117.98 122.25 1gjq s PHE 232 Ca 0.10 1.72 -0.33 0.00 -0.96 0.00 0.00 56.93 57.46 1gjq s PHE 232 Cb 0.06 -3.09 -0.12 0.00 -0.34 0.00 0.00 43.02 39.53 1gjq s PHE 232 CO 0.08 -0.29 1.82 1.17 -1.46 0.00 0.00 175.22 176.54 1gjq n LYS 233 N 0.49 2.39 -0.07 10.12 4.81 -1.26 -1.09 118.16 133.55 1gjq n LYS 233 Ca 0.02 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 1gjq n LYS 233 Cb 0.48 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.81 1gjq n LYS 233 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1gjq n GLY 234 N 4.17 0.65 0.89 3.14 0.00 -1.26 -4.96 105.19 107.83 1gjq n GLY 234 Ca 0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.27 1gjq n GLY 234 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gjq n TYR 235 N -2.02 0.00 -1.75 1.61 4.02 -0.25 -5.03 117.16 113.74 1gjq n TYR 235 Ca 0.00 -1.09 -0.42 0.00 -0.01 0.00 0.00 57.90 56.38 1gjq n TYR 235 Cb 0.00 -0.20 -0.03 0.00 -0.02 0.00 0.00 39.34 39.09 1gjq n TYR 235 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1gjq s GLU 236 N -2.00 4.14 -1.80 -0.72 2.02 -1.26 -2.42 118.70 116.66 1gjq s GLU 236 Ca 0.35 2.56 0.00 0.00 0.02 0.00 0.00 54.97 57.90 1gjq s GLU 236 Cb 0.36 -3.54 0.00 0.00 0.10 0.00 0.00 34.13 31.05 1gjq s GLU 236 CO -0.10 -0.82 0.00 -0.25 0.02 0.00 0.00 175.26 174.11 1gjq n ASP 237 N 5.50 -4.83 -0.02 -0.19 8.00 -1.26 -4.89 116.55 118.86 1gjq n ASP 237 Ca 0.17 0.34 -0.12 0.00 0.71 0.00 0.00 54.79 55.90 1gjq n ASP 237 Cb 0.38 -4.26 -0.10 0.00 -0.02 0.00 0.00 41.12 37.13 1gjq n ASP 237 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1gjq h ARG 238 N 0.00 -0.06 -4.98 -1.24 2.47 -1.76 -3.31 114.38 105.50 1gjq h ARG 238 Ca -0.38 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.00 1gjq h ARG 238 Cb 1.20 0.01 -0.20 0.00 -1.65 0.00 0.00 29.97 29.33 1gjq h ARG 238 CO 0.53 0.57 -0.75 0.71 0.56 0.00 0.00 179.97 181.59 1gjq s TYR 239 N -3.15 1.00 -0.07 3.04 2.02 -1.26 -0.46 117.35 118.48 1gjq s TYR 239 Ca -0.15 -0.54 0.03 0.00 -0.37 0.00 0.00 57.07 56.04 1gjq s TYR 239 Cb -0.00 -0.57 0.01 0.00 -0.40 0.00 0.00 41.96 41.00 1gjq s TYR 239 CO 0.59 -0.00 -0.15 0.99 -1.57 0.00 0.00 175.55 175.41 1gjq s THR 240 N -1.71 1.32 0.12 -0.71 2.01 -0.65 -1.74 115.64 114.27 1gjq s THR 240 Ca -0.02 -0.60 0.10 0.00 0.31 0.00 0.00 61.69 61.48 1gjq s THR 240 Cb -0.08 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 1gjq s THR 240 CO 0.01 0.39 -0.24 -0.51 -0.69 0.00 0.00 174.62 173.58 1gjq s ILE 241 N 0.49 2.41 -0.04 1.82 2.07 -0.02 0.31 121.20 128.24 1gjq s ILE 241 Ca -0.13 -1.65 -0.05 0.00 -1.41 0.00 0.00 60.65 57.41 1gjq s ILE 241 Cb -0.15 -2.06 0.01 0.00 0.13 0.00 0.00 42.46 40.38 1gjq s ILE 241 CO 0.04 0.13 0.13 0.00 -1.91 0.00 0.00 174.94 173.33 1gjq s ALA 242 N -1.05 -0.32 -0.07 1.50 0.00 -0.60 -0.65 121.76 120.55 1gjq s ALA 242 Ca 0.15 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.41 1gjq s ALA 242 Cb -0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 1gjq s ALA 242 CO 0.07 -0.09 -0.09 0.20 0.00 0.00 0.00 175.76 175.85 1gjq s GLY 243 N -0.17 1.64 0.13 0.00 0.00 -0.38 -0.90 107.32 107.64 1gjq s GLY 243 Ca -0.02 -0.91 0.07 0.00 0.00 0.00 0.00 44.72 43.85 1gjq s GLY 243 CO 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 173.10 172.41 1gjq s ALA 244 N -0.62 3.03 -0.18 3.20 0.00 0.27 -3.08 121.76 124.38 1gjq s ALA 244 Ca 0.09 -1.29 -0.20 0.00 0.00 0.00 0.00 51.96 50.57 1gjq s ALA 244 Cb -0.11 -0.92 -0.17 0.00 0.00 0.00 0.00 23.12 21.92 1gjq s ALA 244 CO 0.02 0.59 0.22 1.88 0.00 0.00 0.00 175.76 178.47 1gjq h TYR 245 N 3.32 0.00 -3.20 0.00 -1.99 -0.66 -2.53 116.97 111.91 1gjq h TYR 245 Ca -0.48 0.00 -0.51 0.00 2.00 0.00 0.00 58.73 59.74 1gjq h TYR 245 Cb 1.18 0.00 -0.37 0.00 2.00 0.00 0.00 36.73 39.54 1gjq h TYR 245 CO 0.61 1.12 -0.79 -0.46 -0.00 0.00 0.00 178.16 178.64 1gjq s TRP 246 N -2.29 1.29 0.69 4.88 -0.11 -1.04 -3.49 118.94 118.88 1gjq s TRP 246 Ca -0.24 -0.61 -0.12 0.00 1.22 0.00 0.00 56.10 56.35 1gjq s TRP 246 Cb 0.04 -1.13 0.01 0.00 -1.50 0.00 0.00 33.47 30.89 1gjq s TRP 246 CO 0.52 -0.47 1.08 -2.14 -4.62 0.00 0.00 176.95 171.31 1gjq s PRO 247 N 1.77 2.77 -0.77 5.86 0.02 -1.26 -0.39 135.00 143.00 1gjq s PRO 247 Ca 0.05 1.14 -0.25 0.00 0.02 0.00 0.00 61.00 61.95 1gjq s PRO 247 Cb -0.12 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 1gjq s PRO 247 CO -0.08 -1.24 1.93 -2.14 -0.33 0.00 0.00 177.00 175.15 1gjq s PRO 248 N -4.66 2.55 0.15 5.54 0.02 -1.23 -4.62 135.00 132.75 1gjq s PRO 248 Ca 0.61 0.14 -0.25 0.00 0.02 0.00 0.00 61.00 61.53 1gjq s PRO 248 Cb -0.16 -4.77 0.06 0.00 0.02 0.00 0.00 34.50 29.65 1gjq s PRO 248 CO 0.50 -3.14 0.86 1.14 -0.33 0.00 0.00 177.00 176.03 1gjq s GLN 249 N 7.10 1.25 0.11 5.54 -2.07 -1.25 -1.20 119.66 129.13 1gjq s GLN 249 Ca 0.70 -0.63 0.05 0.00 -1.82 0.00 0.00 55.36 53.66 1gjq s GLN 249 Cb -0.10 0.46 -0.04 0.00 -1.09 0.00 0.00 33.01 32.25 1gjq s GLN 249 CO 0.09 -0.56 -0.12 -0.59 -1.32 0.00 0.00 175.29 172.78 1gjq s PHE 250 N -3.43 1.25 -0.03 9.60 -0.12 -0.81 -0.56 117.98 123.88 1gjq s PHE 250 Ca 0.09 -0.60 0.02 0.00 -0.05 0.00 0.00 56.93 56.39 1gjq s PHE 250 Cb -0.02 -0.66 0.01 0.00 -0.63 0.00 0.00 43.02 41.71 1gjq s PHE 250 CO -0.01 0.08 -0.07 0.00 -0.05 0.00 0.00 175.22 175.17 1gjq s ALA 251 N -2.30 0.76 -0.19 1.99 0.00 -0.07 -1.60 121.76 120.35 1gjq s ALA 251 Ca 0.08 -0.25 -0.06 0.00 0.00 0.00 0.00 51.96 51.72 1gjq s ALA 251 Cb -0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1gjq s ALA 251 CO 0.02 0.10 0.04 0.42 0.00 0.00 0.00 175.76 176.34 1gjq s ILE 252 N 0.33 4.50 0.39 0.00 1.01 -0.16 -1.56 121.20 125.71 1gjq s ILE 252 Ca -0.05 -0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.53 1gjq s ILE 252 Cb -0.09 -3.02 -0.08 0.00 0.01 0.00 0.00 42.46 39.28 1gjq s ILE 252 CO 0.00 0.45 0.02 -0.04 0.00 0.00 0.00 174.94 175.37 1gjq s MET 253 N 0.56 1.89 0.02 2.79 -1.94 0.15 -1.58 119.30 121.18 1gjq s MET 253 Ca 0.02 -2.06 -0.30 0.00 -1.71 0.00 0.00 55.69 51.63 1gjq s MET 253 Cb -0.13 -1.47 -0.05 0.00 2.01 0.00 0.00 34.83 35.20 1gjq s MET 253 CO 0.02 -0.08 1.16 0.34 -0.01 0.00 0.00 175.02 176.45 1gjq s ASP 254 N -3.66 7.12 0.00 3.03 -1.08 -0.50 -1.64 116.67 119.94 1gjq s ASP 254 Ca 0.35 1.90 0.05 0.00 -0.52 0.00 0.00 52.55 54.33 1gjq s ASP 254 Cb 0.10 -2.57 0.28 0.00 -1.46 0.00 0.00 42.92 39.26 1gjq s ASP 254 CO 0.17 -0.46 1.07 0.61 0.52 0.00 0.00 175.17 177.08 1gjq n GLY 255 N 3.20 -0.88 0.03 2.66 0.00 0.39 -1.20 105.19 109.39 1gjq n GLY 255 Ca 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 1gjq n GLY 255 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1gjq n GLU 256 N -0.58 0.62 -0.00 1.61 4.07 -1.25 -4.72 120.64 120.39 1gjq n GLU 256 Ca 0.04 0.03 0.02 0.00 -0.06 0.00 0.00 57.16 57.18 1gjq n GLU 256 Cb 0.02 -1.14 -0.02 0.00 -0.06 0.00 0.00 31.44 30.24 1gjq n GLU 256 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1gjq n THR 257 N -2.62 0.00 -1.31 6.31 -2.24 -1.23 -4.91 114.28 108.28 1gjq n THR 257 Ca -0.11 -0.27 -0.05 0.00 -2.27 0.00 0.00 64.05 61.35 1gjq n THR 257 Cb 0.63 0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 69.59 1gjq n THR 257 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1gjq n LEU 258 N -1.31 -0.50 -4.67 3.22 4.77 -0.34 -4.77 117.00 113.39 1gjq n LEU 258 Ca 0.00 0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.65 1gjq n LEU 258 Cb 0.06 -1.04 -0.03 0.00 -2.33 0.00 0.00 43.42 40.09 1gjq n LEU 258 CO 0.07 -0.21 1.37 -0.70 -1.33 0.00 0.00 177.39 176.58 1gjq s GLU 259 N -2.73 4.19 -0.00 3.23 2.12 -1.25 -4.59 118.70 119.66 1gjq s GLU 259 Ca 0.00 2.22 -0.30 0.00 0.36 0.00 0.00 54.97 57.25 1gjq s GLU 259 Cb 0.00 -3.92 -0.07 0.00 0.26 0.00 0.00 34.13 30.40 1gjq s GLU 259 CO 0.00 -0.82 1.67 -1.25 -0.54 0.00 0.00 175.26 174.31 1gjq s PRO 260 N 3.79 4.19 -0.16 4.30 0.04 -1.26 -1.42 135.00 144.49 1gjq s PRO 260 Ca 0.74 2.26 -0.07 0.00 0.04 0.00 0.00 61.00 63.98 1gjq s PRO 260 Cb -0.35 -3.84 -0.07 0.00 0.04 0.00 0.00 34.50 30.28 1gjq s PRO 260 CO 0.30 -0.80 -0.20 1.63 0.04 0.00 0.00 177.00 177.98 1gjq n LYS 261 N 6.53 0.35 -4.02 4.56 4.76 -0.62 -4.97 118.16 124.75 1gjq n LYS 261 Ca 0.17 0.14 -0.13 0.00 -2.87 0.00 0.00 58.31 55.62 1gjq n LYS 261 Cb 0.42 -1.11 -0.13 0.00 -1.84 0.00 0.00 35.03 32.37 1gjq n LYS 261 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1gjq s GLN 262 N -2.30 0.27 -0.06 1.97 -1.52 -0.98 -5.02 119.66 112.02 1gjq s GLN 262 Ca -0.22 -0.26 0.02 0.00 -1.95 0.00 0.00 55.36 52.95 1gjq s GLN 262 Cb 0.08 -0.18 0.02 0.00 -0.22 0.00 0.00 33.01 32.71 1gjq s GLN 262 CO 0.29 0.04 -0.10 0.42 -0.25 0.00 0.00 175.29 175.70 1gjq s ILE 263 N -0.43 0.97 -0.05 1.08 1.01 -1.26 -0.98 121.20 121.52 1gjq s ILE 263 Ca -0.03 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.29 1gjq s ILE 263 Cb -0.03 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.52 1gjq s ILE 263 CO -0.00 0.32 -0.16 -0.69 0.00 0.00 0.00 174.94 174.41 1gjq s VAL 264 N 0.83 1.37 0.20 2.92 1.01 -0.63 -5.00 120.40 121.09 1gjq s VAL 264 Ca -0.12 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 1gjq s VAL 264 Cb -0.15 -1.20 -0.08 0.00 0.00 0.00 0.00 36.38 34.95 1gjq s VAL 264 CO 0.02 0.40 1.00 -0.55 0.00 0.00 0.00 175.10 175.96 1gjq s SER 265 N 0.27 7.49 0.00 3.32 0.15 -1.26 -1.93 113.70 121.74 1gjq s SER 265 Ca -0.09 1.97 0.19 0.00 0.70 0.00 0.00 55.95 58.73 1gjq s SER 265 Cb -0.13 -2.60 0.53 0.00 -1.71 0.00 0.00 66.02 62.10 1gjq s SER 265 CO 0.03 -0.01 1.44 0.35 1.20 0.00 0.00 173.24 176.25 1gjq n THR 266 N 1.98 0.93 -2.08 6.45 -2.24 -0.35 -4.94 114.28 114.04 1gjq n THR 266 Ca 0.00 -0.96 -0.42 0.00 -2.27 0.00 0.00 64.05 60.40 1gjq n THR 266 Cb 0.47 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 1gjq n THR 266 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1gjq s ARG 267 N -1.05 4.24 0.00 -0.78 0.52 -1.26 -4.57 118.95 116.05 1gjq s ARG 267 Ca 0.41 2.14 0.00 0.00 -0.52 0.00 0.00 55.73 57.76 1gjq s ARG 267 Cb 0.22 -3.62 0.00 0.00 0.52 0.00 0.00 34.95 32.07 1gjq s ARG 267 CO 0.28 -0.67 0.00 0.41 0.02 0.00 0.00 175.30 175.35 1gjq n GLY 268 N 3.84 1.32 3.83 -3.53 0.00 -1.18 -5.03 105.19 104.43 1gjq n GLY 268 Ca 0.15 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 1gjq n GLY 268 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1gjq s MET 269 N 1.21 4.14 0.72 1.61 -1.94 -1.26 -0.65 119.30 123.13 1gjq s MET 269 Ca 0.00 0.73 -0.11 0.00 -1.71 0.00 0.00 55.69 54.60 1gjq s MET 269 Cb 0.00 -2.87 0.02 0.00 2.01 0.00 0.00 34.83 34.00 1gjq s MET 269 CO 0.00 0.41 1.10 0.95 -0.01 0.00 0.00 175.02 177.46 1gjq s THR 270 N -1.54 3.42 -0.03 2.05 -4.23 -0.32 -4.87 115.64 110.11 1gjq s THR 270 Ca 0.42 0.46 -0.07 0.00 -1.18 0.00 0.00 61.69 61.32 1gjq s THR 270 Cb -0.16 -3.40 -0.29 0.00 1.34 0.00 0.00 72.50 69.99 1gjq s THR 270 CO 0.20 -0.60 0.72 1.62 -0.54 0.00 0.00 174.62 176.02 1gjq h VAL 271 N -0.74 0.99 0.09 2.29 3.04 -1.55 -3.15 116.25 117.22 1gjq h VAL 271 Ca -0.45 -2.61 -0.00 0.00 -1.01 0.00 0.00 66.70 62.62 1gjq h VAL 271 Cb 1.26 2.73 0.00 0.00 -2.01 0.00 0.00 31.29 33.27 1gjq h VAL 271 CO 0.63 0.83 -0.04 -2.24 -1.01 0.00 0.00 177.57 175.74 1gjq h ASP 272 N 0.09 -0.10 0.23 3.17 2.03 -1.95 -3.39 116.42 116.48 1gjq h ASP 272 Ca -0.31 -0.30 0.00 0.00 -0.73 0.00 0.00 57.03 55.69 1gjq h ASP 272 Cb 2.06 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 40.59 1gjq h ASP 272 CO 0.16 0.51 -1.43 0.35 -1.03 0.00 0.00 179.24 177.80 1gjq n THR 273 N -4.82 0.11 -3.69 1.15 -2.24 -1.26 -4.99 114.28 98.54 1gjq n THR 273 Ca -0.05 -0.34 -0.25 0.00 -2.27 0.00 0.00 64.05 61.14 1gjq n THR 273 Cb 0.19 0.21 0.06 0.00 -2.10 0.00 0.00 70.33 68.69 1gjq n THR 273 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gjq n GLN 274 N -2.08 -6.80 -4.29 -0.78 6.02 -1.19 -4.98 117.38 103.28 1gjq n GLN 274 Ca -0.00 0.74 -0.23 0.00 -0.01 0.00 0.00 57.00 57.50 1gjq n GLN 274 Cb 0.49 -5.70 -0.07 0.00 1.02 0.00 0.00 30.24 25.97 1gjq n GLN 274 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1gjq s THR 275 N -3.35 3.47 0.26 5.09 -4.23 -1.26 -4.72 115.64 110.90 1gjq s THR 275 Ca 0.50 -1.88 -0.29 0.00 -1.18 0.00 0.00 61.69 58.83 1gjq s THR 275 Cb -0.23 -2.85 -0.09 0.00 1.34 0.00 0.00 72.50 70.67 1gjq s THR 275 CO 0.77 -0.36 1.23 -0.47 -0.54 0.00 0.00 174.62 175.25 1gjq s TYR 276 N -2.29 3.32 -0.13 3.99 5.04 -1.26 -1.18 117.35 124.84 1gjq s TYR 276 Ca 0.31 1.45 -0.00 0.00 -2.44 0.00 0.00 57.07 56.39 1gjq s TYR 276 Cb -0.07 -3.51 0.02 0.00 0.35 0.00 0.00 41.96 38.76 1gjq s TYR 276 CO 0.20 -1.37 -0.10 -1.58 -1.34 0.00 0.00 175.55 171.35 1gjq s HIS 277 N -0.67 1.80 -1.98 4.97 5.65 0.17 -4.94 115.29 120.29 1gjq s HIS 277 Ca 0.50 -0.97 0.31 0.00 0.25 0.00 0.00 55.06 55.16 1gjq s HIS 277 Cb -0.36 -1.40 1.79 0.00 -1.18 0.00 0.00 32.58 31.44 1gjq s HIS 277 CO 0.43 -0.59 2.17 -0.35 -0.65 0.00 0.00 174.74 175.75 1gjq n PRO 278 N 4.86 1.00 -3.08 2.88 -0.04 -1.26 -3.11 135.00 136.24 1gjq n PRO 278 Ca -0.14 -0.08 -0.18 0.00 -0.04 0.00 0.00 63.50 63.05 1gjq n PRO 278 Cb 0.50 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 1gjq n PRO 278 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1gjq n GLU 279 N -0.93 0.84 -2.98 0.54 2.13 -1.26 -4.90 120.64 114.09 1gjq n GLU 279 Ca 0.23 -2.94 -0.44 0.00 0.66 0.00 0.00 57.16 54.66 1gjq n GLU 279 Cb 0.14 -1.40 -0.04 0.00 0.27 0.00 0.00 31.44 30.41 1gjq n GLU 279 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1gjq s PRO 280 N -1.22 3.10 0.41 5.31 0.02 -1.26 -4.75 135.00 136.61 1gjq s PRO 280 Ca 0.35 -1.00 -0.25 0.00 0.02 0.00 0.00 61.00 60.12 1gjq s PRO 280 Cb 0.25 -4.23 -0.08 0.00 0.02 0.00 0.00 34.50 30.46 1gjq s PRO 280 CO -0.11 -1.65 1.23 1.03 -0.33 0.00 0.00 177.00 177.17 1gjq s ARG 281 N 3.43 3.96 -0.09 5.54 0.52 -1.26 -4.62 118.95 126.43 1gjq s ARG 281 Ca 0.18 1.99 -0.20 0.00 -0.52 0.00 0.00 55.73 57.18 1gjq s ARG 281 Cb -0.20 -2.68 -0.04 0.00 0.52 0.00 0.00 34.95 32.55 1gjq s ARG 281 CO 0.09 -0.44 0.55 0.08 0.02 0.00 0.00 175.30 175.60 1gjq s VAL 282 N -1.35 5.12 0.00 3.52 1.01 -0.95 -1.15 120.40 126.60 1gjq s VAL 282 Ca 0.58 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.68 1gjq s VAL 282 Cb -0.34 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1gjq s VAL 282 CO 0.43 0.32 0.00 0.00 0.00 0.00 0.00 175.10 175.85 1gjq n ALA 283 N 3.56 0.00 -1.77 5.51 0.00 -0.22 -4.61 120.51 122.99 1gjq n ALA 283 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.98 1gjq n ALA 283 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.96 1gjq n ALA 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gjq s ALA 284 N -2.60 3.48 -0.05 0.00 0.00 -0.91 -4.57 121.76 117.11 1gjq s ALA 284 Ca 0.00 1.45 0.02 0.00 0.00 0.00 0.00 51.96 53.44 1gjq s ALA 284 Cb 0.00 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.56 1gjq s ALA 284 CO 0.00 -0.96 -0.11 0.42 0.00 0.00 0.00 175.76 175.11 1gjq s ILE 285 N -1.15 1.03 -0.01 0.00 1.01 -1.26 -0.97 121.20 119.85 1gjq s ILE 285 Ca 0.53 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.75 1gjq s ILE 285 Cb -0.44 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.10 1gjq s ILE 285 CO 0.58 0.32 -0.05 -0.51 0.00 0.00 0.00 174.94 175.29 1gjq s ILE 286 N 0.48 0.40 -0.05 2.92 2.07 -0.68 -4.86 121.20 121.49 1gjq s ILE 286 Ca -0.10 -0.19 -0.23 0.00 -1.41 0.00 0.00 60.65 58.73 1gjq s ILE 286 Cb -0.13 -0.36 -0.04 0.00 0.13 0.00 0.00 42.46 42.05 1gjq s ILE 286 CO 0.02 0.13 0.67 0.00 -1.91 0.00 0.00 174.94 173.85 1gjq s ALA 287 N 0.06 3.37 0.39 1.50 0.00 -1.26 -0.38 121.76 125.45 1gjq s ALA 287 Ca -0.00 0.10 -0.24 0.00 0.00 0.00 0.00 51.96 51.82 1gjq s ALA 287 Cb -0.04 -2.90 -0.09 0.00 0.00 0.00 0.00 23.12 20.09 1gjq s ALA 287 CO -0.00 -0.04 1.06 0.45 0.00 0.00 0.00 175.76 177.23 1gjq s SER 288 N 0.56 6.76 -0.01 0.00 0.15 -0.69 -4.82 113.70 115.65 1gjq s SER 288 Ca 0.36 2.06 0.14 0.00 0.70 0.00 0.00 55.95 59.20 1gjq s SER 288 Cb -0.18 -2.59 -0.18 0.00 -1.71 0.00 0.00 66.02 61.37 1gjq s SER 288 CO 0.18 -0.49 0.45 1.41 1.20 0.00 0.00 173.24 175.98 1gjq n HIS 289 N -0.02 0.00 -0.01 3.44 8.25 -1.26 -3.32 115.22 122.30 1gjq n HIS 289 Ca 0.05 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.46 1gjq n HIS 289 Cb 0.49 -0.15 -0.12 0.00 1.12 0.00 0.00 29.99 31.33 1gjq n HIS 289 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1gjq n GLU 290 N -1.63 0.63 -3.92 -0.41 -0.58 -1.26 -4.73 120.64 108.74 1gjq n GLU 290 Ca 0.00 0.23 -0.09 0.00 -0.42 0.00 0.00 57.16 56.89 1gjq n GLU 290 Cb 0.28 -1.77 -0.08 0.00 -0.57 0.00 0.00 31.44 29.30 1gjq n GLU 290 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1gjq s HIS 291 N -2.74 0.24 -1.21 -0.32 3.76 -1.26 -4.99 115.29 108.76 1gjq s HIS 291 Ca -0.05 -0.67 -0.13 0.00 -0.15 0.00 0.00 55.06 54.06 1gjq s HIS 291 Cb 0.08 -0.15 -0.06 0.00 1.11 0.00 0.00 32.58 33.57 1gjq s HIS 291 CO 0.82 -0.47 2.29 -2.30 -0.85 0.00 0.00 174.74 174.23 1gjq n PRO 292 N 0.14 2.54 -4.20 8.40 -0.02 -1.26 -4.60 135.00 135.99 1gjq n PRO 292 Ca -0.16 -2.09 -0.12 0.00 -2.02 0.00 0.00 63.50 59.12 1gjq n PRO 292 Cb 0.61 -2.92 -0.10 0.00 -0.02 0.00 0.00 33.50 31.08 1gjq n PRO 292 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1gjq s GLU 293 N 3.47 1.03 -0.05 -0.52 2.02 -1.26 -1.38 118.70 122.00 1gjq s GLU 293 Ca 0.53 -1.49 0.04 0.00 0.02 0.00 0.00 54.97 54.07 1gjq s GLU 293 Cb 0.14 -0.08 -0.02 0.00 0.10 0.00 0.00 34.13 34.26 1gjq s GLU 293 CO -0.02 -0.17 -0.17 -0.06 0.02 0.00 0.00 175.26 174.87 1gjq s PHE 294 N -3.79 2.64 -0.46 1.61 0.08 -0.78 -1.71 117.98 115.58 1gjq s PHE 294 Ca 0.23 -0.29 -0.10 0.00 0.12 0.00 0.00 56.93 56.89 1gjq s PHE 294 Cb 0.07 -1.63 0.10 0.00 -0.57 0.00 0.00 43.02 40.99 1gjq s PHE 294 CO 0.03 0.08 0.32 0.42 -0.10 0.00 0.00 175.22 175.97 1gjq s ILE 295 N -0.56 4.32 -0.22 0.64 1.01 0.49 -1.04 121.20 125.84 1gjq s ILE 295 Ca 0.08 -1.60 -0.10 0.00 0.00 0.00 0.00 60.65 59.03 1gjq s ILE 295 Cb -0.11 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.56 1gjq s ILE 295 CO 0.01 -0.67 0.13 -0.69 0.00 0.00 0.00 174.94 173.72 1gjq s VAL 296 N 1.41 5.25 -0.16 2.92 1.01 -0.10 -1.69 120.40 129.05 1gjq s VAL 296 Ca 0.04 0.14 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 1gjq s VAL 296 Cb -0.25 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1gjq s VAL 296 CO 0.01 0.40 0.57 0.20 0.00 0.00 0.00 175.10 176.27 1gjq s ASN 297 N 0.72 6.70 -0.34 3.32 0.01 -0.15 -0.67 114.94 124.53 1gjq s ASN 297 Ca 0.07 0.84 -0.03 0.00 -0.71 0.00 0.00 52.86 53.03 1gjq s ASN 297 Cb -0.12 -2.32 0.06 0.00 0.41 0.00 0.00 41.25 39.27 1gjq s ASN 297 CO 0.01 -0.15 0.08 -0.69 -1.51 0.00 0.00 177.10 174.84 1gjq s VAL 298 N 1.31 3.22 0.00 1.60 1.01 0.18 -1.05 120.40 126.67 1gjq s VAL 298 Ca 0.28 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 60.74 1gjq s VAL 298 Cb -0.16 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1gjq s VAL 298 CO 0.11 -0.28 0.36 1.17 0.00 0.00 0.00 175.10 176.46 1gjq n LYS 299 N 4.65 0.00 0.08 2.72 4.81 -0.30 -1.63 118.16 128.49 1gjq n LYS 299 Ca -0.10 0.21 0.17 0.00 -0.87 0.00 0.00 58.31 57.71 1gjq n LYS 299 Cb 0.43 -0.86 0.68 0.00 0.02 0.00 0.00 35.03 35.30 1gjq n LYS 299 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1gjq h GLU 300 N 0.00 0.00 0.00 1.64 3.07 -1.86 -1.23 114.58 116.21 1gjq h GLU 300 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1gjq h GLU 300 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1gjq h GLU 300 CO 0.00 0.00 -0.81 1.79 -1.40 0.00 0.00 179.01 178.59 1gjq h THR 301 N 0.00 0.00 -4.06 1.13 1.35 -1.90 -3.42 112.91 106.00 1gjq h THR 301 Ca 0.17 -0.82 -0.24 0.00 -0.55 0.00 0.00 66.41 64.98 1gjq h THR 301 Cb 0.71 1.38 0.09 0.00 -1.73 0.00 0.00 68.15 68.60 1gjq h THR 301 CO -0.00 0.00 -0.43 0.61 -0.25 0.00 0.00 175.52 175.44 1gjq n GLY 302 N 1.23 0.01 3.41 5.82 0.00 -0.59 -1.44 105.19 113.62 1gjq n GLY 302 Ca 0.01 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 1gjq n GLY 302 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gjq s LYS 303 N -5.55 2.47 -0.25 1.61 -0.14 -0.87 -1.67 119.74 115.34 1gjq s LYS 303 Ca 0.27 -0.77 -0.05 0.00 -1.36 0.00 0.00 55.97 54.05 1gjq s LYS 303 Cb -0.12 -2.29 -0.00 0.00 -1.68 0.00 0.00 37.83 33.74 1gjq s LYS 303 CO 0.45 0.55 0.02 0.08 -0.76 0.00 0.00 175.35 175.69 1gjq s VAL 304 N -0.56 3.69 -0.18 3.17 1.01 0.24 -0.65 120.40 127.12 1gjq s VAL 304 Ca 0.08 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 1gjq s VAL 304 Cb -0.11 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1gjq s VAL 304 CO 0.01 0.28 0.08 -0.76 0.00 0.00 0.00 175.10 174.71 1gjq s LEU 305 N 1.50 3.93 -0.53 3.92 1.43 0.15 -0.76 118.68 128.32 1gjq s LEU 305 Ca 0.04 0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.15 1gjq s LEU 305 Cb -0.15 -2.00 0.13 0.00 0.03 0.00 0.00 46.19 44.20 1gjq s LEU 305 CO -0.00 0.19 0.46 -0.76 0.23 0.00 0.00 176.35 176.47 1gjq s LEU 306 N 0.29 6.04 -0.55 1.79 1.43 -0.11 -0.92 118.68 126.65 1gjq s LEU 306 Ca 0.05 -1.90 -0.21 0.00 -1.03 0.00 0.00 54.13 51.04 1gjq s LEU 306 Cb -0.12 -2.14 0.06 0.00 0.03 0.00 0.00 46.19 44.03 1gjq s LEU 306 CO -0.00 -0.78 0.77 -0.69 0.23 0.00 0.00 176.35 175.87 1gjq s VAL 307 N 1.41 4.66 -0.08 -1.59 1.01 -0.21 -1.66 120.40 123.94 1gjq s VAL 307 Ca 0.05 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.40 1gjq s VAL 307 Cb -0.27 -4.44 -0.02 0.00 0.00 0.00 0.00 36.38 31.65 1gjq s VAL 307 CO 0.01 -1.02 0.98 0.21 0.00 0.00 0.00 175.10 175.28 1gjq s ASN 308 N 3.00 7.25 -0.15 3.32 3.84 -0.00 -1.87 114.94 130.33 1gjq s ASN 308 Ca 0.20 1.53 0.16 0.00 0.21 0.00 0.00 52.86 54.95 1gjq s ASN 308 Cb -0.18 -2.55 0.61 0.00 -0.55 0.00 0.00 41.25 38.59 1gjq s ASN 308 CO 0.13 -0.39 1.53 0.00 -2.79 0.00 0.00 177.10 175.57 1gjq n TYR 309 N 4.73 1.27 -0.13 0.43 0.18 -0.48 -4.03 117.16 119.12 1gjq n TYR 309 Ca 0.08 -0.72 -0.09 0.00 1.88 0.00 0.00 57.90 59.05 1gjq n TYR 309 Cb 0.49 -0.30 -0.01 0.00 -0.38 0.00 0.00 39.34 39.15 1gjq n TYR 309 CO 0.00 0.00 0.00 -0.22 -2.08 0.00 0.00 176.86 174.56 1gjq h LYS 310 N 2.92 0.57 -4.45 -3.48 3.64 -1.93 -3.34 116.57 110.50 1gjq h LYS 310 Ca 0.00 -0.09 -0.64 0.00 -1.27 0.00 0.00 60.65 58.65 1gjq h LYS 310 Cb 1.47 -0.10 -0.40 0.00 -0.41 0.00 0.00 32.23 32.79 1gjq h LYS 310 CO 0.25 0.51 -0.73 0.34 -2.27 0.00 0.00 179.45 177.55 1gjq s ASP 311 N -5.77 4.60 0.39 4.20 -1.08 -1.26 -4.98 116.67 112.76 1gjq s ASP 311 Ca -0.13 -2.02 0.27 0.00 -0.52 0.00 0.00 52.55 50.14 1gjq s ASP 311 Cb 0.10 -1.46 0.86 0.00 -1.46 0.00 0.00 42.92 40.96 1gjq s ASP 311 CO 0.74 -0.38 1.77 -0.29 0.52 0.00 0.00 175.17 177.53 1gjq h ILE 312 N 6.59 0.00 0.07 4.11 2.10 -1.86 -3.21 117.51 125.30 1gjq h ILE 312 Ca -0.06 -0.60 -0.26 0.00 1.08 0.00 0.00 64.86 65.02 1gjq h ILE 312 Cb 1.02 1.55 0.01 0.00 -1.09 0.00 0.00 36.82 38.31 1gjq h ILE 312 CO 0.51 0.00 -1.10 0.44 -1.08 0.00 0.00 178.15 176.92 1gjq h ASP 313 N 0.00 0.57 -3.96 2.19 3.32 -1.94 -3.38 116.42 113.21 1gjq h ASP 313 Ca 0.00 -0.51 -0.63 0.00 0.02 0.00 0.00 57.03 55.91 1gjq h ASP 313 Cb 0.68 -0.18 -0.41 0.00 0.22 0.00 0.00 39.33 39.65 1gjq h ASP 313 CO 0.00 1.34 -0.66 0.20 -1.72 0.00 0.00 179.24 178.41 1gjq s ASN 314 N -7.18 4.15 0.19 6.45 0.01 -1.21 -5.10 114.94 112.25 1gjq s ASN 314 Ca -0.06 -3.02 -0.30 0.00 -0.71 0.00 0.00 52.86 48.77 1gjq s ASN 314 Cb 0.08 -1.46 -0.08 0.00 0.41 0.00 0.00 41.25 40.19 1gjq s ASN 314 CO 0.89 -0.22 1.27 -0.22 -1.51 0.00 0.00 177.10 177.31 1gjq s LEU 315 N -0.26 4.42 -0.20 0.60 2.96 -1.25 -4.71 118.68 120.24 1gjq s LEU 315 Ca 0.18 2.34 -0.02 0.00 -0.22 0.00 0.00 54.13 56.41 1gjq s LEU 315 Cb -0.22 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.86 1gjq s LEU 315 CO -0.02 -0.48 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.54 1gjq s THR 316 N 0.10 2.93 -0.06 3.68 2.01 -1.26 -5.03 115.64 118.01 1gjq s THR 316 Ca 0.56 -0.65 0.06 0.00 0.31 0.00 0.00 61.69 61.97 1gjq s THR 316 Cb -0.35 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 1gjq s THR 316 CO 0.37 0.47 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.83 1gjq s VAL 317 N 1.34 2.05 -0.22 3.82 1.01 -1.26 -0.82 120.40 126.31 1gjq s VAL 317 Ca 0.04 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 1gjq s VAL 317 Cb -0.14 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1gjq s VAL 317 CO -0.06 0.57 -0.06 -0.89 0.00 0.00 0.00 175.10 174.66 1gjq s THR 318 N -0.18 3.16 -0.43 3.92 2.01 -0.66 -4.95 115.64 118.51 1gjq s THR 318 Ca -0.03 -0.64 -0.17 0.00 0.31 0.00 0.00 61.69 61.16 1gjq s THR 318 Cb -0.14 -2.46 0.03 0.00 0.01 0.00 0.00 72.50 69.94 1gjq s THR 318 CO 0.04 0.39 0.42 -0.55 -0.69 0.00 0.00 174.62 174.22 1gjq s SER 319 N 1.43 6.18 -0.21 3.53 0.15 -1.26 -0.93 113.70 122.58 1gjq s SER 319 Ca 0.05 -0.80 -0.10 0.00 0.70 0.00 0.00 55.95 55.80 1gjq s SER 319 Cb -0.15 -2.21 -0.05 0.00 -1.71 0.00 0.00 66.02 61.90 1gjq s SER 319 CO -0.04 -0.59 0.13 -0.63 1.20 0.00 0.00 173.24 173.31 1gjq s ILE 320 N 2.05 5.34 0.14 6.45 1.01 0.06 -4.96 121.20 131.28 1gjq s ILE 320 Ca 0.10 0.17 -0.28 0.00 0.00 0.00 0.00 60.65 60.64 1gjq s ILE 320 Cb -0.18 -3.45 -0.07 0.00 0.01 0.00 0.00 42.46 38.76 1gjq s ILE 320 CO 0.12 0.41 0.89 -0.83 0.00 0.00 0.00 174.94 175.53 1gjq s GLY 321 N 0.61 2.98 0.00 6.18 0.00 -1.26 -0.59 107.32 115.24 1gjq s GLY 321 Ca 0.07 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.29 1gjq s GLY 321 CO 0.00 1.21 0.00 0.00 0.00 0.00 0.00 173.10 174.32 1gjq n ALA 322 N 2.22 0.12 -3.43 3.20 0.00 -0.67 -4.88 120.51 117.07 1gjq n ALA 322 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 1gjq n ALA 322 Cb 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.87 1gjq n ALA 322 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gjq s ALA 323 N -2.00 -1.43 0.65 0.00 0.00 -1.23 -5.03 121.76 112.72 1gjq s ALA 323 Ca 0.00 1.03 -0.18 0.00 0.00 0.00 0.00 51.96 52.82 1gjq s ALA 323 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 1gjq s ALA 323 CO 0.00 -0.33 1.17 -2.30 0.00 0.00 0.00 175.76 174.30 1gjq n PRO 324 N 1.18 0.95 -2.98 0.00 -0.02 -1.26 -4.06 135.00 128.80 1gjq n PRO 324 Ca -0.19 0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 61.56 1gjq n PRO 324 Cb 0.57 -2.40 0.04 0.00 -0.02 0.00 0.00 33.50 31.68 1gjq n PRO 324 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1gjq n PHE 325 N -2.00 -1.32 -1.80 6.00 3.72 -0.57 -4.18 117.46 117.31 1gjq n PHE 325 Ca 0.15 0.47 -0.42 0.00 -0.05 0.00 0.00 57.45 57.60 1gjq n PHE 325 Cb 0.48 -2.93 -0.02 0.00 -0.94 0.00 0.00 39.48 36.07 1gjq n PHE 325 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1gjq s LEU 326 N -3.94 4.36 0.00 4.37 1.43 -1.20 -2.62 118.68 121.08 1gjq s LEU 326 Ca 0.25 2.84 0.00 0.00 -1.03 0.00 0.00 54.13 56.19 1gjq s LEU 326 Cb -0.11 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1gjq s LEU 326 CO 0.34 -0.90 0.00 1.57 0.23 0.00 0.00 176.35 177.58 1gjq n HIS 327 N 3.22 0.00 -3.68 0.29 -0.00 0.33 -4.09 115.22 111.29 1gjq n HIS 327 Ca 0.12 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 58.10 1gjq n HIS 327 Cb 0.37 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.22 1gjq n HIS 327 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 1gjq s ASP 328 N 1.00 5.88 -0.07 0.26 -4.77 -1.26 -2.14 116.67 115.57 1gjq s ASP 328 Ca 0.00 -0.20 -0.26 0.00 -3.30 0.00 0.00 52.55 48.79 1gjq s ASP 328 Cb 0.00 -1.32 0.08 0.00 -1.09 0.00 0.00 42.92 40.59 1gjq s ASP 328 CO 0.00 -0.31 1.17 0.61 0.70 0.00 0.00 175.17 177.33 1gjq n GLY 329 N -1.51 0.16 3.80 2.12 0.00 -0.64 -1.16 105.19 107.97 1gjq n GLY 329 Ca -0.03 -0.99 -0.04 0.00 0.00 0.00 0.00 46.02 44.96 1gjq n GLY 329 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gjq s GLY 330 N -3.81 -0.07 0.71 -0.02 0.00 -0.75 -4.17 107.32 99.21 1gjq s GLY 330 Ca 0.28 -0.12 -0.11 0.00 0.00 0.00 0.00 44.72 44.76 1gjq s GLY 330 CO -0.02 0.49 1.07 -0.98 0.00 0.00 0.00 173.10 173.67 1gjq s TRP 331 N -3.01 2.87 0.27 1.90 0.23 -1.26 -1.15 118.94 118.79 1gjq s TRP 331 Ca 0.15 1.49 -0.04 0.00 -2.03 0.00 0.00 56.10 55.67 1gjq s TRP 331 Cb -0.03 -2.97 0.06 0.00 0.03 0.00 0.00 33.47 30.56 1gjq s TRP 331 CO 0.04 -1.46 0.37 -0.40 0.96 0.00 0.00 176.95 176.47 1gjq n ASP 332 N -3.11 0.11 0.13 2.95 5.75 -0.90 -4.86 116.55 116.62 1gjq n ASP 332 Ca 0.08 -1.18 0.03 0.00 -0.01 0.00 0.00 54.79 53.71 1gjq n ASP 332 Cb 0.53 -0.28 0.40 0.00 -1.03 0.00 0.00 41.12 40.75 1gjq n ASP 332 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1gjq h SER 333 N -0.44 0.19 0.21 -1.12 4.64 -1.88 -2.97 113.55 112.18 1gjq h SER 333 Ca -0.12 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1gjq h SER 333 Cb 0.35 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1gjq h SER 333 CO 0.09 0.35 -0.08 -1.54 -0.87 0.00 0.00 176.83 174.78 1gjq n SER 334 N -4.28 0.66 -3.62 4.97 3.41 -1.26 -4.95 113.62 108.55 1gjq n SER 334 Ca -0.01 -0.86 -0.22 0.00 -0.26 0.00 0.00 58.87 57.51 1gjq n SER 334 Cb 0.27 -0.03 0.07 0.00 -0.26 0.00 0.00 64.21 64.26 1gjq n SER 334 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1gjq n HIS 335 N -0.70 -2.40 0.00 7.33 8.25 -1.12 -4.89 115.22 121.68 1gjq n HIS 335 Ca 0.17 0.94 0.00 0.00 -0.26 0.00 0.00 57.72 58.57 1gjq n HIS 335 Cb 0.27 -4.76 0.00 0.00 1.12 0.00 0.00 29.99 26.62 1gjq n HIS 335 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1gjq n ARG 336 N -4.55 1.61 -3.86 -0.41 0.00 -1.26 -4.76 116.66 103.43 1gjq n ARG 336 Ca -0.13 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.36 1gjq n ARG 336 Cb 0.61 -0.77 -0.13 0.00 0.00 0.00 0.00 32.46 32.16 1gjq n ARG 336 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1gjq s TYR 337 N -1.54 3.10 -0.53 -0.14 2.02 -1.26 -0.84 117.35 118.15 1gjq s TYR 337 Ca 0.00 -1.20 -0.27 0.00 -0.37 0.00 0.00 57.07 55.23 1gjq s TYR 337 Cb 0.00 -2.16 0.03 0.00 -0.40 0.00 0.00 41.96 39.43 1gjq s TYR 337 CO 0.00 -0.63 1.08 0.12 -1.57 0.00 0.00 175.55 174.55 1gjq s PHE 338 N 1.43 2.75 -0.57 2.71 5.36 0.27 -2.12 117.98 127.80 1gjq s PHE 338 Ca 0.02 0.39 -0.20 0.00 -0.96 0.00 0.00 56.93 56.18 1gjq s PHE 338 Cb -0.17 -4.32 0.08 0.00 -0.34 0.00 0.00 43.02 38.28 1gjq s PHE 338 CO -0.01 -1.38 0.74 -1.64 -1.46 0.00 0.00 175.22 171.47 1gjq s MET 339 N 4.43 3.10 0.11 10.12 -1.94 -0.30 -1.14 119.30 133.67 1gjq s MET 339 Ca 0.41 -1.03 0.10 0.00 -1.71 0.00 0.00 55.69 53.46 1gjq s MET 339 Cb -0.09 -4.19 -0.04 0.00 2.01 0.00 0.00 34.83 32.52 1gjq s MET 339 CO 0.26 -1.49 -0.26 -0.08 -0.01 0.00 0.00 175.02 173.44 1gjq s THR 340 N 3.00 2.31 -0.15 2.05 -1.32 -0.34 -1.81 115.64 119.39 1gjq s THR 340 Ca 0.16 -1.67 -0.12 0.00 -1.21 0.00 0.00 61.69 58.85 1gjq s THR 340 Cb -0.21 -2.01 -0.05 0.00 -1.51 0.00 0.00 72.50 68.73 1gjq s THR 340 CO 0.10 0.14 0.24 0.00 -2.21 0.00 0.00 174.62 172.88 1gjq s ALA 341 N -1.03 3.67 -0.96 11.08 0.00 -0.31 0.52 121.76 134.74 1gjq s ALA 341 Ca 0.14 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.56 1gjq s ALA 341 Cb -0.10 -2.27 0.26 0.00 0.00 0.00 0.00 23.12 21.01 1gjq s ALA 341 CO 0.06 0.23 1.05 0.00 0.00 0.00 0.00 175.76 177.10 1gjq n ALA 342 N 3.13 4.34 -0.33 0.00 0.00 0.03 -0.51 120.51 127.16 1gjq n ALA 342 Ca -0.14 -4.70 -0.00 0.00 0.00 0.00 0.00 53.44 48.59 1gjq n ALA 342 Cb 0.52 -1.92 0.06 0.00 0.00 0.00 0.00 19.45 18.11 1gjq n ALA 342 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1gjq h ASN 343 N 5.67 -1.24 1.10 0.00 7.08 -1.70 -1.62 115.58 124.88 1gjq h ASN 343 Ca 0.18 0.29 0.00 0.00 -3.08 0.00 0.00 56.30 53.69 1gjq h ASN 343 Cb 0.74 0.68 0.00 0.00 -2.08 0.00 0.00 38.32 37.66 1gjq h ASN 343 CO 1.03 -0.30 0.00 0.59 -2.08 0.00 0.00 177.43 176.67 1gjq n ASN 344 N -5.50 0.27 -0.28 6.14 5.03 -1.26 -2.56 115.26 117.10 1gjq n ASN 344 Ca 0.10 0.53 0.12 0.00 0.87 0.00 0.00 54.58 56.20 1gjq n ASN 344 Cb 0.41 -0.60 0.26 0.00 -1.02 0.00 0.00 39.78 38.83 1gjq n ASN 344 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1gjq n SER 345 N -1.75 1.23 -3.52 6.41 7.64 -0.66 -4.96 113.62 118.01 1gjq n SER 345 Ca 0.06 -1.00 -0.25 0.00 1.01 0.00 0.00 58.87 58.69 1gjq n SER 345 Cb 0.35 0.26 0.05 0.00 -1.01 0.00 0.00 64.21 63.86 1gjq n SER 345 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1gjq n ASN 346 N -0.58 -5.74 -4.21 6.43 3.02 -0.91 -5.00 115.26 108.26 1gjq n ASN 346 Ca 0.11 -0.53 -0.13 0.00 -0.03 0.00 0.00 54.58 54.00 1gjq n ASN 346 Cb 0.38 -4.57 -0.10 0.00 -0.61 0.00 0.00 39.78 34.87 1gjq n ASN 346 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1gjq s LYS 347 N -6.23 0.97 -0.15 3.52 1.02 -1.12 -2.14 119.74 115.61 1gjq s LYS 347 Ca 0.53 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 55.11 1gjq s LYS 347 Cb -0.25 -0.42 0.02 0.00 -0.52 0.00 0.00 37.83 36.67 1gjq s LYS 347 CO 0.65 0.02 -0.13 0.08 -0.92 0.00 0.00 175.35 175.05 1gjq s VAL 348 N -3.48 1.54 0.11 3.17 1.01 -0.32 -0.79 120.40 121.64 1gjq s VAL 348 Ca 0.15 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.34 1gjq s VAL 348 Cb 0.04 -1.46 -0.07 0.00 0.00 0.00 0.00 36.38 34.89 1gjq s VAL 348 CO -0.02 0.43 0.54 0.00 0.00 0.00 0.00 175.10 176.05 1gjq s ALA 349 N 1.50 3.60 -0.24 5.51 0.00 0.18 -0.77 121.76 131.54 1gjq s ALA 349 Ca 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 1gjq s ALA 349 Cb -0.13 -2.53 0.03 0.00 0.00 0.00 0.00 23.12 20.49 1gjq s ALA 349 CO -0.10 0.45 -0.08 0.08 0.00 0.00 0.00 175.76 176.10 1gjq s VAL 350 N -1.34 2.73 -0.27 0.00 1.01 -0.66 -1.20 120.40 120.68 1gjq s VAL 350 Ca 0.34 -1.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 1gjq s VAL 350 Cb -0.16 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1gjq s VAL 350 CO 0.19 0.21 0.08 -0.63 0.00 0.00 0.00 175.10 174.94 1gjq s ILE 351 N 1.30 4.21 -0.50 2.22 1.09 -0.30 -0.45 121.20 128.77 1gjq s ILE 351 Ca -0.00 -0.35 -0.29 0.00 -1.10 0.00 0.00 60.65 58.91 1gjq s ILE 351 Cb -0.17 -3.04 0.03 0.00 -1.06 0.00 0.00 42.46 38.22 1gjq s ILE 351 CO -0.05 0.25 1.17 -0.62 -0.10 0.00 0.00 174.94 175.59 1gjq s ASP 352 N 1.58 6.56 0.26 3.58 -1.08 0.14 -0.57 116.67 127.14 1gjq s ASP 352 Ca 0.05 0.39 0.26 0.00 -0.52 0.00 0.00 52.55 52.73 1gjq s ASP 352 Cb -0.16 -2.55 0.84 0.00 -1.46 0.00 0.00 42.92 39.59 1gjq s ASP 352 CO 0.03 -1.33 1.76 0.77 0.52 0.00 0.00 175.17 176.91 1gjq h SER 353 N 9.43 0.00 0.00 -0.34 4.64 -1.29 -1.22 113.55 124.77 1gjq h SER 353 Ca -0.24 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.03 1gjq h SER 353 Cb 1.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1gjq h SER 353 CO 1.14 0.00 -0.50 0.50 -0.87 0.00 0.00 176.83 177.10 1gjq h LYS 354 N 0.00 0.00 -0.00 4.77 3.64 -1.91 -3.38 116.57 119.69 1gjq h LYS 354 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1gjq h LYS 354 Cb 0.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1gjq h LYS 354 CO 0.00 0.38 -0.06 -0.25 -2.27 0.00 0.00 179.45 177.25 1gjq n ASP 355 N -4.61 0.44 -3.59 4.20 8.00 -1.25 -4.96 116.55 114.77 1gjq n ASP 355 Ca -0.12 -0.71 -0.26 0.00 0.71 0.00 0.00 54.79 54.41 1gjq n ASP 355 Cb 0.33 -0.07 0.05 0.00 -0.02 0.00 0.00 41.12 41.41 1gjq n ASP 355 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1gjq n ARG 356 N -0.88 -2.07 -3.98 -1.24 1.74 -0.49 -5.03 116.66 104.71 1gjq n ARG 356 Ca 0.17 0.58 -0.09 0.00 -0.77 0.00 0.00 57.85 57.73 1gjq n ARG 356 Cb 0.25 -4.69 -0.05 0.00 -1.02 0.00 0.00 32.46 26.94 1gjq n ARG 356 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1gjq s ARG 357 N -5.62 1.51 -0.28 5.56 1.70 -1.05 -5.00 118.95 115.77 1gjq s ARG 357 Ca 0.39 -1.22 -0.24 0.00 -0.47 0.00 0.00 55.73 54.18 1gjq s ARG 357 Cb -0.11 0.47 -0.00 0.00 -0.57 0.00 0.00 34.95 34.73 1gjq s ARG 357 CO 0.83 -0.63 0.83 -1.17 -1.08 0.00 0.00 175.30 174.08 1gjq s LEU 358 N -3.01 4.07 0.05 -1.89 2.96 -1.26 -0.69 118.68 118.92 1gjq s LEU 358 Ca 0.21 0.87 -0.00 0.00 -0.22 0.00 0.00 54.13 54.99 1gjq s LEU 358 Cb -0.00 -3.17 -0.26 0.00 0.50 0.00 0.00 46.19 43.26 1gjq s LEU 358 CO 0.08 -0.59 1.03 0.28 -1.32 0.00 0.00 176.35 175.83 1gjq h SER 359 N 7.91 0.29 -5.84 3.68 0.02 -1.13 -3.48 113.55 115.01 1gjq h SER 359 Ca -0.23 -0.35 0.35 0.00 -0.84 0.00 0.00 61.79 60.71 1gjq h SER 359 Cb 1.09 -0.09 -0.10 0.00 0.14 0.00 0.00 62.40 63.44 1gjq h SER 359 CO 0.89 1.29 0.89 0.00 -1.14 0.00 0.00 176.83 178.76 1gjq s ALA 360 N -2.65 -2.39 -0.28 3.77 0.00 -1.23 -5.00 121.76 113.98 1gjq s ALA 360 Ca -0.05 0.46 -0.02 0.00 0.00 0.00 0.00 51.96 52.35 1gjq s ALA 360 Cb 0.08 0.57 0.09 0.00 0.00 0.00 0.00 23.12 23.86 1gjq s ALA 360 CO 0.85 -1.10 0.10 -0.51 0.00 0.00 0.00 175.76 175.10 1gjq s LEU 361 N -3.34 1.39 -0.12 0.00 1.43 -1.26 -1.66 118.68 115.12 1gjq s LEU 361 Ca 0.21 -1.34 -0.20 0.00 -1.03 0.00 0.00 54.13 51.77 1gjq s LEU 361 Cb 0.03 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.60 1gjq s LEU 361 CO -0.03 -0.40 0.57 -0.69 0.23 0.00 0.00 176.35 176.02 1gjq s VAL 362 N 1.85 5.12 0.03 -1.59 1.01 0.05 -4.90 120.40 121.96 1gjq s VAL 362 Ca 0.07 1.13 -0.30 0.00 0.00 0.00 0.00 61.98 62.88 1gjq s VAL 362 Cb -0.17 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1gjq s VAL 362 CO -0.26 0.27 1.06 -1.81 0.00 0.00 0.00 175.10 174.37 1gjq s ASP 363 N 0.78 7.26 0.00 3.32 1.01 -1.26 -1.17 116.67 126.61 1gjq s ASP 363 Ca 0.30 1.80 0.00 0.00 0.71 0.00 0.00 52.55 55.36 1gjq s ASP 363 Cb -0.16 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.20 1gjq s ASP 363 CO 0.13 -0.34 0.00 1.33 0.21 0.00 0.00 175.17 176.50 1gjq n VAL 364 N 3.87 0.00 -1.79 -1.27 0.24 -0.91 -4.75 118.33 113.72 1gjq n VAL 364 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1gjq n VAL 364 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 1gjq n VAL 364 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gjq n GLY 365 N 3.43 0.90 3.66 7.63 0.00 -1.26 -4.92 105.19 114.63 1gjq n GLY 365 Ca 0.00 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 1gjq n GLY 365 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gjq s LYS 366 N -0.24 4.26 -0.72 1.61 1.02 -1.26 -4.22 119.74 120.19 1gjq s LYS 366 Ca 0.00 1.61 -0.04 0.00 0.02 0.00 0.00 55.97 57.56 1gjq s LYS 366 Cb 0.00 -3.71 0.01 0.00 -0.52 0.00 0.00 37.83 33.61 1gjq s LYS 366 CO 0.00 -0.65 0.65 2.41 -0.92 0.00 0.00 175.35 176.85 1gjq n THR 367 N 5.23 -7.52 -2.00 2.17 -1.04 -1.24 -1.36 114.28 108.52 1gjq n THR 367 Ca 0.13 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.05 61.69 1gjq n THR 367 Cb 0.45 -5.38 -0.02 0.00 -1.82 0.00 0.00 70.33 63.56 1gjq n THR 367 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1gjq s PRO 368 N -3.60 4.26 -0.35 -2.82 0.04 -1.26 -0.94 135.00 130.34 1gjq s PRO 368 Ca 0.05 2.32 -0.01 0.00 0.04 0.00 0.00 61.00 63.40 1gjq s PRO 368 Cb -0.01 -3.11 0.13 0.00 0.04 0.00 0.00 34.50 31.55 1gjq s PRO 368 CO 0.81 -0.44 0.19 -1.58 0.04 0.00 0.00 177.00 176.01 1gjq s HIS 369 N 0.10 0.91 -0.01 0.56 2.46 -0.74 -4.45 115.29 114.12 1gjq s HIS 369 Ca 0.60 -1.60 0.11 0.00 0.47 0.00 0.00 55.06 54.65 1gjq s HIS 369 Cb -0.42 -1.13 -0.18 0.00 -0.13 0.00 0.00 32.58 30.72 1gjq s HIS 369 CO 0.42 -0.83 0.96 -1.00 -2.47 0.00 0.00 174.74 171.83 1gjq h PRO 370 N 7.36 0.00 0.00 2.88 0.13 -1.77 -3.36 132.00 137.24 1gjq h PRO 370 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1gjq h PRO 370 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1gjq h PRO 370 CO 0.35 0.64 0.00 0.41 -0.23 0.00 0.00 178.00 179.17 1gjq n GLY 371 N 1.43 2.17 0.10 1.56 0.00 -1.26 -1.34 105.19 107.85 1gjq n GLY 371 Ca -0.08 -0.38 0.09 0.00 0.00 0.00 0.00 46.02 45.64 1gjq n GLY 371 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gjq n ARG 372 N 8.83 1.22 0.00 1.61 1.74 -1.26 -1.62 116.66 127.18 1gjq n ARG 372 Ca 0.00 -0.21 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 1gjq n ARG 372 Cb 0.00 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1gjq n ARG 372 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gjq n GLY 373 N 1.38 -0.60 2.88 -0.13 0.00 -0.45 -3.30 105.19 104.98 1gjq n GLY 373 Ca 0.04 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.06 1gjq n GLY 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gjq s ALA 374 N -1.25 1.08 -0.15 4.61 0.00 -1.07 -4.77 121.76 120.22 1gjq s ALA 374 Ca 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 51.96 51.56 1gjq s ALA 374 Cb 0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 1gjq s ALA 374 CO 0.00 -0.32 -0.05 -0.80 0.00 0.00 0.00 175.76 174.59 1gjq s ASN 375 N 1.57 4.74 0.17 0.00 0.01 -1.26 -0.06 114.94 120.12 1gjq s ASN 375 Ca 0.01 -0.13 -0.20 0.00 -0.71 0.00 0.00 52.86 51.83 1gjq s ASN 375 Cb -0.13 -1.73 0.05 0.00 0.41 0.00 0.00 41.25 39.85 1gjq s ASN 375 CO -0.05 0.19 0.55 0.72 -1.51 0.00 0.00 177.10 176.99 1gjq s PHE 376 N 0.26 -0.35 -0.34 2.20 -0.12 -1.17 -4.76 117.98 113.70 1gjq s PHE 376 Ca -0.03 0.06 -0.19 0.00 -0.05 0.00 0.00 56.93 56.72 1gjq s PHE 376 Cb -0.14 0.47 -0.00 0.00 -0.63 0.00 0.00 43.02 42.71 1gjq s PHE 376 CO 0.03 -0.86 0.56 0.08 -0.05 0.00 0.00 175.22 174.98 1gjq s VAL 377 N -3.80 4.97 0.11 -2.49 1.01 -1.26 -1.49 120.40 117.46 1gjq s VAL 377 Ca 0.04 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 62.21 1gjq s VAL 377 Cb -0.01 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 1gjq s VAL 377 CO -0.09 -0.22 1.09 -2.28 0.00 0.00 0.00 175.10 173.60 1gjq s HIS 378 N 2.50 3.59 0.56 5.22 2.46 0.37 -4.94 115.29 125.05 1gjq s HIS 378 Ca 0.21 1.55 0.26 0.00 0.47 0.00 0.00 55.06 57.56 1gjq s HIS 378 Cb -0.15 -3.27 1.47 0.00 -0.13 0.00 0.00 32.58 30.51 1gjq s HIS 378 CO 0.13 -0.61 2.02 -1.00 -2.47 0.00 0.00 174.74 172.81 1gjq h PRO 379 N 5.85 0.00 0.00 2.88 0.13 -1.90 -1.96 132.00 137.00 1gjq h PRO 379 Ca -0.43 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.65 1gjq h PRO 379 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1gjq h PRO 379 CO 0.75 0.00 -0.97 1.17 -0.23 0.00 0.00 178.00 178.72 1gjq n LYS 380 N -4.12 0.41 0.00 0.86 4.81 -1.26 -4.74 118.16 114.11 1gjq n LYS 380 Ca 0.06 0.17 0.13 0.00 -0.87 0.00 0.00 58.31 57.80 1gjq n LYS 380 Cb 0.51 -1.21 0.71 0.00 0.02 0.00 0.00 35.03 35.06 1gjq n LYS 380 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1gjq n TYR 381 N -4.19 0.00 -4.13 5.64 4.01 -1.24 -5.04 117.16 112.21 1gjq n TYR 381 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1gjq n TYR 381 Cb 0.46 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 1gjq n TYR 381 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gjq n GLY 382 N 0.70 -1.02 3.67 2.72 0.00 -0.74 -4.84 105.19 105.68 1gjq n GLY 382 Ca 0.16 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 1gjq n GLY 382 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1gjq s PRO 383 N 0.00 4.15 0.34 1.61 0.02 -1.26 -0.48 135.00 139.38 1gjq s PRO 383 Ca 0.00 2.55 0.06 0.00 0.02 0.00 0.00 61.00 63.62 1gjq s PRO 383 Cb 0.00 -3.94 -0.07 0.00 0.02 0.00 0.00 34.50 30.51 1gjq s PRO 383 CO 0.00 -0.90 -0.00 0.14 -0.33 0.00 0.00 177.00 175.91 1gjq s VAL 384 N 3.79 1.63 -0.04 3.83 -7.23 -0.55 -0.99 120.40 120.84 1gjq s VAL 384 Ca 0.84 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.98 1gjq s VAL 384 Cb -0.42 -2.74 0.01 0.00 0.56 0.00 0.00 36.38 33.78 1gjq s VAL 384 CO 0.38 -0.10 -0.09 0.86 -0.31 0.00 0.00 175.10 175.83 1gjq s TRP 385 N -2.99 1.08 0.26 2.82 -0.00 0.29 -3.06 118.94 117.34 1gjq s TRP 385 Ca 0.34 -0.31 0.11 0.00 -0.00 0.00 0.00 56.10 56.23 1gjq s TRP 385 Cb 0.07 -0.79 -0.05 0.00 -0.00 0.00 0.00 33.47 32.70 1gjq s TRP 385 CO 0.15 -0.16 -0.13 -1.54 -0.00 0.00 0.00 176.95 175.27 1gjq s SER 386 N 0.42 3.94 -0.11 5.86 1.04 0.92 -0.65 113.70 125.12 1gjq s SER 386 Ca -0.07 -0.87 -0.17 0.00 0.48 0.00 0.00 55.95 55.32 1gjq s SER 386 Cb -0.11 -0.50 0.04 0.00 0.10 0.00 0.00 66.02 65.54 1gjq s SER 386 CO 0.01 0.04 0.42 0.28 0.98 0.00 0.00 173.24 174.97 1gjq s THR 387 N -2.36 0.02 0.54 2.02 -1.32 -0.82 -2.59 115.64 111.13 1gjq s THR 387 Ca 0.30 -0.15 0.08 0.00 -1.21 0.00 0.00 61.69 60.71 1gjq s THR 387 Cb -0.06 -0.65 0.06 0.00 -1.51 0.00 0.00 72.50 70.34 1gjq s THR 387 CO 0.16 -0.08 0.62 -0.94 -2.21 0.00 0.00 174.62 172.18 1gjq s SER 388 N -0.39 5.00 0.15 8.08 1.04 -1.26 -1.02 113.70 125.29 1gjq s SER 388 Ca -0.05 -0.93 0.05 0.00 0.48 0.00 0.00 55.95 55.50 1gjq s SER 388 Cb -0.03 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 1gjq s SER 388 CO 0.03 -1.17 -0.12 -1.00 0.98 0.00 0.00 173.24 171.96 1gjq s HIS 389 N -2.66 1.35 -0.13 5.02 3.76 -1.22 -1.79 115.29 119.62 1gjq s HIS 389 Ca 0.52 -0.68 0.09 0.00 -0.15 0.00 0.00 55.06 54.84 1gjq s HIS 389 Cb -0.05 -0.68 -0.23 0.00 1.11 0.00 0.00 32.58 32.73 1gjq s HIS 389 CO 0.32 0.13 0.32 1.28 -0.85 0.00 0.00 174.74 175.95 1gjq n LEU 390 N -0.01 1.22 0.20 0.89 4.77 -0.12 -1.96 117.00 121.99 1gjq n LEU 390 Ca -0.11 0.19 0.11 0.00 -0.03 0.00 0.00 56.01 56.17 1gjq n LEU 390 Cb 0.60 -0.11 0.14 0.00 -2.33 0.00 0.00 43.42 41.72 1gjq n LEU 390 CO 0.31 0.58 0.69 1.23 -1.33 0.00 0.00 177.39 178.87 1gjq h GLY 391 N 3.02 0.00 -1.58 -0.72 0.00 -1.34 -0.86 103.07 101.59 1gjq h GLY 391 Ca -0.42 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.66 1gjq h GLY 391 CO 0.05 0.00 -0.13 0.51 0.00 0.00 0.00 176.54 176.97 1gjq s ASP 392 N -6.12 0.84 0.00 0.19 1.47 -1.24 -4.84 116.67 106.97 1gjq s ASP 392 Ca 0.06 -1.46 0.24 0.00 1.18 0.00 0.00 52.55 52.57 1gjq s ASP 392 Cb 0.06 0.69 0.80 0.00 -0.34 0.00 0.00 42.92 44.13 1gjq s ASP 392 CO 0.69 -1.36 1.59 0.61 0.68 0.00 0.00 175.17 177.38 1gjq n GLY 393 N -0.57 0.33 3.82 2.12 0.00 -1.26 -3.74 105.19 105.89 1gjq n GLY 393 Ca -0.00 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 1gjq n GLY 393 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gjq s SER 394 N -1.74 6.12 -0.13 1.61 1.04 -1.26 -0.29 113.70 119.06 1gjq s SER 394 Ca 0.34 1.72 -0.00 0.00 0.48 0.00 0.00 55.95 58.49 1gjq s SER 394 Cb 0.19 -2.52 0.03 0.00 0.10 0.00 0.00 66.02 63.81 1gjq s SER 394 CO 0.29 -0.93 -0.08 -0.63 0.98 0.00 0.00 173.24 172.87 1gjq s ILE 395 N -2.51 1.11 -0.08 -1.02 1.01 0.33 -3.42 121.20 116.62 1gjq s ILE 395 Ca 0.62 -0.38 -0.17 0.00 0.00 0.00 0.00 60.65 60.72 1gjq s ILE 395 Cb -0.14 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.15 1gjq s ILE 395 CO 0.34 0.35 0.45 -0.44 0.00 0.00 0.00 174.94 175.64 1gjq s SER 396 N 1.67 6.72 -0.23 3.58 0.01 -0.19 -1.13 113.70 124.14 1gjq s SER 396 Ca 0.04 0.86 -0.05 0.00 1.31 0.00 0.00 55.95 58.11 1gjq s SER 396 Cb -0.13 -2.28 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 1gjq s SER 396 CO -0.08 0.11 0.00 -0.76 0.41 0.00 0.00 173.24 172.91 1gjq s LEU 397 N 0.08 3.10 -0.14 2.44 1.43 -0.87 -1.94 118.68 122.78 1gjq s LEU 397 Ca 0.25 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1gjq s LEU 397 Cb -0.16 -1.81 -0.00 0.00 0.03 0.00 0.00 46.19 44.25 1gjq s LEU 397 CO 0.11 -0.02 -0.16 -0.63 0.23 0.00 0.00 176.35 175.87 1gjq s ILE 398 N 1.52 2.60 0.16 -0.59 1.01 0.18 -1.64 121.20 124.43 1gjq s ILE 398 Ca 0.06 -0.80 -0.31 0.00 0.00 0.00 0.00 60.65 59.60 1gjq s ILE 398 Cb -0.15 -2.08 -0.09 0.00 0.01 0.00 0.00 42.46 40.15 1gjq s ILE 398 CO -0.01 0.52 1.48 -0.83 0.00 0.00 0.00 174.94 176.11 1gjq s GLY 399 N 0.71 1.83 -0.15 6.18 0.00 -1.11 -0.55 107.32 114.23 1gjq s GLY 399 Ca -0.08 1.27 0.17 0.00 0.00 0.00 0.00 44.72 46.08 1gjq s GLY 399 CO 0.01 2.47 1.17 -1.30 0.00 0.00 0.00 173.10 175.45 1gjq n THR 400 N 3.70 1.95 -3.88 0.90 -2.24 -0.16 -1.60 114.28 112.95 1gjq n THR 400 Ca 0.12 -2.50 -0.30 0.00 -2.27 0.00 0.00 64.05 59.09 1gjq n THR 400 Cb 0.40 -0.23 -0.14 0.00 -2.10 0.00 0.00 70.33 68.26 1gjq n THR 400 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1gjq s ASP 401 N -2.95 4.24 0.28 3.42 2.15 -1.26 -4.96 116.67 117.59 1gjq s ASP 401 Ca 0.33 -2.43 0.11 0.00 0.43 0.00 0.00 52.55 50.99 1gjq s ASP 401 Cb 0.30 -1.36 0.37 0.00 -0.30 0.00 0.00 42.92 41.93 1gjq s ASP 401 CO 0.00 -0.32 1.62 -0.65 -0.17 0.00 0.00 175.17 175.65 1gjq h PRO 402 N 7.16 0.00 0.13 4.34 0.11 -1.93 -2.38 132.00 139.43 1gjq h PRO 402 Ca -0.06 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1gjq h PRO 402 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1gjq h PRO 402 CO 0.55 0.61 -0.06 -0.22 -0.21 0.00 0.00 178.00 178.67 1gjq h LYS 403 N 0.00 -0.17 0.00 1.05 3.64 -1.98 -3.23 116.57 115.88 1gjq h LYS 403 Ca -0.01 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1gjq h LYS 403 Cb 1.09 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1gjq h LYS 403 CO 0.08 -0.11 -0.63 0.09 -2.27 0.00 0.00 179.45 176.60 1gjq n ASN 404 N -2.62 0.64 -3.02 4.20 3.02 -1.26 -4.44 115.26 111.77 1gjq n ASN 404 Ca -0.02 0.03 -0.18 0.00 -0.03 0.00 0.00 54.58 54.37 1gjq n ASN 404 Cb 0.07 0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 39.45 1gjq n ASN 404 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1gjq n HIS 405 N -1.97 1.07 0.30 3.10 8.25 -0.90 -4.97 115.22 120.11 1gjq n HIS 405 Ca 0.04 -3.62 0.17 0.00 -0.26 0.00 0.00 57.72 54.05 1gjq n HIS 405 Cb 0.42 -0.41 0.93 0.00 1.12 0.00 0.00 29.99 32.05 1gjq n HIS 405 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1gjq h PRO 406 N 2.98 0.00 0.00 -0.41 0.13 -1.57 -2.03 132.00 131.10 1gjq h PRO 406 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1gjq h PRO 406 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1gjq h PRO 406 CO 0.56 0.04 0.00 -0.56 -0.23 0.00 0.00 178.00 177.81 1gjq h GLN 407 N 0.00 0.00 0.00 0.86 -0.00 -1.90 -3.23 115.11 110.84 1gjq h GLN 407 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1gjq h GLN 407 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.62 1gjq h GLN 407 CO 0.00 0.00 -0.96 0.66 -0.00 0.00 0.00 178.83 178.54 1gjq n TYR 408 N -2.78 0.00 -1.68 0.06 4.01 -0.81 -4.97 117.16 110.99 1gjq n TYR 408 Ca 0.03 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.32 1gjq n TYR 408 Cb 0.37 -0.11 -0.04 0.00 -0.31 0.00 0.00 39.34 39.24 1gjq n TYR 408 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1gjq n ALA 409 N -1.54 1.59 -2.44 -0.72 0.00 -0.92 -2.40 120.51 114.08 1gjq n ALA 409 Ca 0.00 0.34 -0.20 0.00 0.00 0.00 0.00 53.44 53.58 1gjq n ALA 409 Cb 0.21 -2.50 -0.01 0.00 0.00 0.00 0.00 19.45 17.16 1gjq n ALA 409 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1gjq n TRP 410 N 5.27 -1.04 -4.90 0.00 5.03 -0.63 -4.96 117.44 116.20 1gjq n TRP 410 Ca 0.19 0.05 -0.31 0.00 3.03 0.00 0.00 57.50 60.46 1gjq n TRP 410 Cb 0.33 -3.89 -0.14 0.00 -1.03 0.00 0.00 31.31 26.57 1gjq n TRP 410 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 1gjq s LYS 411 N -5.06 1.98 -1.15 -0.99 1.02 -1.01 -4.72 119.74 109.81 1gjq s LYS 411 Ca 0.03 -1.01 -0.21 0.00 0.02 0.00 0.00 55.97 54.80 1gjq s LYS 411 Cb -0.01 -2.08 0.05 0.00 -0.52 0.00 0.00 37.83 35.27 1gjq s LYS 411 CO 0.04 0.54 1.63 0.21 -0.92 0.00 0.00 175.35 176.84 1gjq s LYS 412 N -1.15 3.66 0.14 1.68 2.20 -1.26 -2.73 119.74 122.28 1gjq s LYS 412 Ca 0.12 -1.48 -0.17 0.00 -0.36 0.00 0.00 55.97 54.08 1gjq s LYS 412 Cb -0.10 -5.42 0.00 0.00 -1.51 0.00 0.00 37.83 30.80 1gjq s LYS 412 CO 0.02 -2.38 1.79 -0.24 -0.36 0.00 0.00 175.35 174.18 1gjq h VAL 413 N 6.24 1.03 -3.81 4.02 3.04 -1.63 -3.47 116.25 121.67 1gjq h VAL 413 Ca 0.31 -0.13 -0.12 0.00 -1.01 0.00 0.00 66.70 65.74 1gjq h VAL 413 Cb 0.94 0.61 -0.09 0.00 -2.01 0.00 0.00 31.29 30.75 1gjq h VAL 413 CO 1.42 0.07 -0.16 0.00 -1.01 0.00 0.00 177.57 177.90 1gjq s ALA 414 N -6.16 0.09 0.00 3.17 0.00 -1.22 -5.05 121.76 112.59 1gjq s ALA 414 Ca -0.13 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.74 1gjq s ALA 414 Cb 0.10 1.10 -0.00 0.00 0.00 0.00 0.00 23.12 24.32 1gjq s ALA 414 CO 0.71 -0.83 -0.03 -2.00 0.00 0.00 0.00 175.76 173.62 1gjq s GLU 415 N -3.71 0.21 0.17 0.00 2.12 -1.26 -2.04 118.70 114.19 1gjq s GLU 415 Ca 0.25 -0.15 0.11 0.00 0.36 0.00 0.00 54.97 55.54 1gjq s GLU 415 Cb -0.00 -0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.19 1gjq s GLU 415 CO 0.12 0.04 -0.24 -0.51 -0.54 0.00 0.00 175.26 174.14 1gjq s LEU 416 N -0.24 2.45 -0.15 2.70 1.43 -0.28 -4.97 118.68 119.63 1gjq s LEU 416 Ca -0.01 -0.81 -0.00 0.00 -1.03 0.00 0.00 54.13 52.28 1gjq s LEU 416 Cb -0.02 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.96 1gjq s LEU 416 CO -0.00 0.14 -0.13 -1.10 0.23 0.00 0.00 176.35 175.49 1gjq s GLN 417 N -2.51 3.34 0.00 1.70 -1.52 -1.26 -0.51 119.66 118.90 1gjq s GLN 417 Ca 0.19 -0.70 0.00 0.00 -1.95 0.00 0.00 55.36 52.91 1gjq s GLN 417 Cb -0.09 -2.67 0.00 0.00 -0.22 0.00 0.00 33.01 30.03 1gjq s GLN 417 CO 0.09 0.11 0.00 0.41 -0.25 0.00 0.00 175.29 175.65 1gjq n GLY 418 N 3.82 1.99 0.22 3.09 0.00 0.61 -4.80 105.19 110.12 1gjq n GLY 418 Ca -0.18 -2.10 0.03 0.00 0.00 0.00 0.00 46.02 43.76 1gjq n GLY 418 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1gjq h GLN 419 N 0.00 0.13 0.00 1.61 4.20 -1.94 -3.47 115.11 115.64 1gjq h GLN 419 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1gjq h GLN 419 Cb 0.00 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1gjq h GLN 419 CO 0.00 0.34 0.00 0.41 -0.67 0.00 0.00 178.83 178.91 1gjq n GLY 420 N -0.81 -1.00 3.73 3.46 0.00 -1.26 -5.00 105.19 104.31 1gjq n GLY 420 Ca -0.01 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 1gjq n GLY 420 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gjq s GLY 421 N 0.00 1.62 0.00 -0.02 0.00 -1.25 -4.07 107.32 103.60 1gjq s GLY 421 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.93 1gjq s GLY 421 CO 0.00 -0.06 0.00 0.61 0.00 0.00 0.00 173.10 173.65 1gjq n GLY 422 N -1.89 0.62 3.81 0.20 0.00 -0.33 -4.10 105.19 103.51 1gjq n GLY 422 Ca 0.10 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 1gjq n GLY 422 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gjq s SER 423 N -2.44 7.06 0.00 1.61 0.15 -0.83 -1.48 113.70 117.77 1gjq s SER 423 Ca 0.00 1.59 0.00 0.00 0.70 0.00 0.00 55.95 58.24 1gjq s SER 423 Cb 0.00 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 1gjq s SER 423 CO 0.00 -0.15 0.00 -0.11 1.20 0.00 0.00 173.24 174.18 1gjq n LEU 424 N 0.09 1.76 -4.00 3.45 7.94 -1.26 -3.76 117.00 121.21 1gjq n LEU 424 Ca 0.03 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.74 1gjq n LEU 424 Cb 0.52 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.32 1gjq n LEU 424 CO 0.41 0.27 -0.43 -0.36 -1.11 0.00 0.00 177.39 176.17 1gjq s PHE 425 N -1.84 0.78 0.01 1.96 0.08 -1.26 -4.19 117.98 113.53 1gjq s PHE 425 Ca 0.00 -0.16 0.08 0.00 0.12 0.00 0.00 56.93 56.97 1gjq s PHE 425 Cb 0.00 -0.52 -0.03 0.00 -0.57 0.00 0.00 43.02 41.91 1gjq s PHE 425 CO 0.00 -0.03 -0.23 -1.50 -0.10 0.00 0.00 175.22 173.36 1gjq s ILE 426 N -0.09 2.35 -0.04 0.64 2.07 -1.26 -2.31 121.20 122.56 1gjq s ILE 426 Ca 0.02 -1.18 -0.15 0.00 -1.41 0.00 0.00 60.65 57.92 1gjq s ILE 426 Cb -0.04 -1.90 0.03 0.00 0.13 0.00 0.00 42.46 40.67 1gjq s ILE 426 CO -0.00 0.45 0.34 -0.75 -1.91 0.00 0.00 174.94 173.07 1gjq s LYS 427 N -1.03 0.63 0.36 3.50 2.47 0.57 -4.39 119.74 121.85 1gjq s LYS 427 Ca 0.12 -0.01 -0.11 0.00 -1.56 0.00 0.00 55.97 54.41 1gjq s LYS 427 Cb -0.10 0.28 0.03 0.00 -1.46 0.00 0.00 37.83 36.58 1gjq s LYS 427 CO 0.02 -0.16 0.66 -0.08 0.16 0.00 0.00 175.35 175.95 1gjq s THR 428 N -0.96 0.00 0.02 3.43 -1.32 -1.26 -0.77 115.64 114.77 1gjq s THR 428 Ca -0.10 -1.24 -0.15 0.00 -1.21 0.00 0.00 61.69 58.98 1gjq s THR 428 Cb -0.04 -2.75 0.03 0.00 -1.51 0.00 0.00 72.50 68.22 1gjq s THR 428 CO 0.04 0.00 0.34 -2.28 -2.21 0.00 0.00 174.62 170.50 1gjq s HIS 429 N -2.67 -0.18 0.23 9.09 2.46 -1.26 -4.67 115.29 118.28 1gjq s HIS 429 Ca 0.21 0.18 -0.07 0.00 0.47 0.00 0.00 55.06 55.85 1gjq s HIS 429 Cb -0.03 0.12 0.37 0.00 -0.13 0.00 0.00 32.58 32.91 1gjq s HIS 429 CO 0.15 -0.47 1.70 -1.35 -2.47 0.00 0.00 174.74 172.30 1gjq h PRO 430 N 3.46 0.29 0.00 2.88 0.11 -1.94 -2.43 132.00 134.36 1gjq h PRO 430 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1gjq h PRO 430 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1gjq h PRO 430 CO 0.43 0.19 0.00 0.87 -0.21 0.00 0.00 178.00 179.28 1gjq h LYS 431 N 0.30 0.00 -6.35 1.05 1.79 -1.90 -3.45 116.57 108.01 1gjq h LYS 431 Ca 0.36 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 58.28 1gjq h LYS 431 Cb 0.56 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.18 1gjq h LYS 431 CO -0.43 0.00 -0.14 0.45 -1.08 0.00 0.00 179.45 178.25 1gjq s SER 432 N -4.72 6.67 -0.16 0.86 0.15 -0.92 -5.00 113.70 110.58 1gjq s SER 432 Ca 0.08 0.92 0.17 0.00 0.70 0.00 0.00 55.95 57.82 1gjq s SER 432 Cb 0.10 -2.23 0.47 0.00 -1.71 0.00 0.00 66.02 62.66 1gjq s SER 432 CO 0.54 0.01 1.36 -1.54 1.20 0.00 0.00 173.24 174.81 1gjq n SER 433 N 0.22 3.52 -4.43 5.45 3.41 -1.26 -4.63 113.62 115.90 1gjq n SER 433 Ca -0.02 -3.00 -0.29 0.00 -0.26 0.00 0.00 58.87 55.31 1gjq n SER 433 Cb 0.52 -0.51 -0.12 0.00 -0.26 0.00 0.00 64.21 63.84 1gjq n SER 433 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1gjq s HIS 434 N -2.77 2.37 -0.20 7.33 3.76 -1.26 -1.09 115.29 123.44 1gjq s HIS 434 Ca 0.39 -0.34 -0.00 0.00 -0.15 0.00 0.00 55.06 54.96 1gjq s HIS 434 Cb 0.32 -1.26 0.05 0.00 1.11 0.00 0.00 32.58 32.80 1gjq s HIS 434 CO 0.08 0.38 -0.05 -1.17 -0.85 0.00 0.00 174.74 173.13 1gjq s LEU 435 N -2.20 2.04 -0.13 0.89 2.96 -0.81 -4.52 118.68 116.90 1gjq s LEU 435 Ca 0.16 -0.91 -0.07 0.00 -0.22 0.00 0.00 54.13 53.09 1gjq s LEU 435 Cb -0.10 -1.03 -0.04 0.00 0.50 0.00 0.00 46.19 45.52 1gjq s LEU 435 CO 0.08 -0.21 0.14 -0.31 -1.32 0.00 0.00 176.35 174.73 1gjq s TYR 436 N 1.53 3.57 -0.07 5.38 1.51 0.05 -0.77 117.35 128.54 1gjq s TYR 436 Ca -0.02 0.50 -0.03 0.00 -1.01 0.00 0.00 57.07 56.51 1gjq s TYR 436 Cb -0.17 -1.96 0.04 0.00 -0.11 0.00 0.00 41.96 39.76 1gjq s TYR 436 CO -0.07 0.68 0.13 0.54 -1.11 0.00 0.00 175.55 175.71 1gjq s VAL 437 N -0.85 -0.18 0.91 0.71 0.11 -0.51 -0.32 120.40 120.28 1gjq s VAL 437 Ca 0.14 0.33 -0.13 0.00 -2.93 0.00 0.00 61.98 59.40 1gjq s VAL 437 Cb -0.12 -0.24 0.18 0.00 -1.53 0.00 0.00 36.38 34.68 1gjq s VAL 437 CO 0.03 0.14 1.25 1.51 -3.33 0.00 0.00 175.10 174.70 1gjq s ASP 438 N 1.98 3.39 -0.33 3.54 1.47 -0.98 -0.94 116.67 124.81 1gjq s ASP 438 Ca 0.00 0.14 0.16 0.00 1.18 0.00 0.00 52.55 54.03 1gjq s ASP 438 Cb -0.12 -0.26 0.44 0.00 -0.34 0.00 0.00 42.92 42.64 1gjq s ASP 438 CO -0.05 -2.54 1.32 0.35 0.68 0.00 0.00 175.17 174.93 1gjq n THR 439 N -3.57 0.49 -0.31 2.11 -2.24 -1.26 -4.27 114.28 105.22 1gjq n THR 439 Ca 0.15 -1.89 0.02 0.00 -2.27 0.00 0.00 64.05 60.06 1gjq n THR 439 Cb 0.60 1.05 0.07 0.00 -2.10 0.00 0.00 70.33 69.95 1gjq n THR 439 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1gjq n THR 440 N -0.93 -0.40 -0.60 4.28 -1.04 -1.10 -1.41 114.28 113.08 1gjq n THR 440 Ca -0.05 1.95 0.06 0.00 -2.04 0.00 0.00 64.05 63.98 1gjq n THR 440 Cb 0.84 -2.64 0.35 0.00 -1.82 0.00 0.00 70.33 67.07 1gjq n THR 440 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1gjq n PHE 441 N -5.30 1.75 -2.25 -1.42 3.72 -0.55 -4.74 117.46 108.67 1gjq n PHE 441 Ca 0.11 -0.61 -0.42 0.00 -0.05 0.00 0.00 57.45 56.48 1gjq n PHE 441 Cb 0.38 -0.43 -0.03 0.00 -0.94 0.00 0.00 39.48 38.46 1gjq n PHE 441 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1gjq s ASN 442 N -0.69 6.91 0.57 4.37 3.84 -0.50 -4.68 114.94 124.76 1gjq s ASN 442 Ca 0.47 2.25 0.34 0.00 0.21 0.00 0.00 52.86 56.12 1gjq s ASN 442 Cb 0.35 -2.59 1.85 0.00 -0.55 0.00 0.00 41.25 40.31 1gjq s ASN 442 CO 0.15 -0.58 2.03 1.55 -2.79 0.00 0.00 177.10 177.46 1gjq h PRO 443 N 6.63 0.00 -6.24 0.43 0.13 -1.90 -3.42 132.00 127.63 1gjq h PRO 443 Ca -0.42 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.15 1gjq h PRO 443 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1gjq h PRO 443 CO 0.84 0.00 0.03 0.34 -0.23 0.00 0.00 178.00 178.98 1gjq s ASP 444 N -4.60 7.11 0.04 1.44 2.15 -1.26 -5.00 116.67 116.54 1gjq s ASP 444 Ca -0.04 1.32 -0.22 0.00 0.43 0.00 0.00 52.55 54.04 1gjq s ASP 444 Cb 0.10 -2.40 -0.14 0.00 -0.30 0.00 0.00 42.92 40.18 1gjq s ASP 444 CO 0.31 0.17 1.43 0.00 -0.17 0.00 0.00 175.17 176.91 1gjq h ALA 445 N 5.01 0.16 -0.63 3.66 0.00 -1.97 -2.88 119.26 122.61 1gjq h ALA 445 Ca -0.47 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 1gjq h ALA 445 Cb 1.21 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1gjq h ALA 445 CO 0.67 -0.10 0.28 -0.09 0.00 0.00 0.00 179.25 180.00 1gjq h ARG 446 N -0.09 0.91 -0.25 0.00 2.43 -1.95 -2.07 114.38 113.36 1gjq h ARG 446 Ca 0.03 -0.13 -0.13 0.00 -0.81 0.00 0.00 59.98 58.93 1gjq h ARG 446 Cb 0.44 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1gjq h ARG 446 CO 0.01 0.73 -0.37 0.82 -1.51 0.00 0.00 179.97 179.65 1gjq h ILE 447 N 0.90 1.31 0.00 1.20 2.04 -1.92 -3.09 117.51 117.95 1gjq h ILE 447 Ca 0.22 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.51 1gjq h ILE 447 Cb 0.14 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1gjq h ILE 447 CO -0.02 0.50 0.00 0.77 0.00 0.00 0.00 178.15 179.39 1gjq h SER 448 N 0.41 0.00 -0.19 1.72 4.64 -1.29 -2.48 113.55 116.36 1gjq h SER 448 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1gjq h SER 448 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1gjq h SER 448 CO 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 1gjq n GLN 449 N -2.55 2.19 -4.30 4.77 6.02 -0.80 -0.63 117.38 122.08 1gjq n GLN 449 Ca 0.02 -1.77 -0.16 0.00 -0.01 0.00 0.00 57.00 55.09 1gjq n GLN 449 Cb 0.30 -1.47 -0.10 0.00 1.02 0.00 0.00 30.24 29.99 1gjq n GLN 449 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1gjq s SER 450 N -1.72 1.21 0.19 1.08 1.04 -0.93 -1.52 113.70 113.04 1gjq s SER 450 Ca 0.34 -1.33 0.06 0.00 0.48 0.00 0.00 55.95 55.51 1gjq s SER 450 Cb 0.21 0.15 -0.05 0.00 0.10 0.00 0.00 66.02 66.43 1gjq s SER 450 CO 0.30 -0.68 -0.12 0.68 0.98 0.00 0.00 173.24 174.40 1gjq s VAL 451 N -3.72 1.53 -0.03 5.02 -7.23 -0.98 -4.21 120.40 110.77 1gjq s VAL 451 Ca 0.34 -2.15 -0.01 0.00 -1.81 0.00 0.00 61.98 58.35 1gjq s VAL 451 Cb 0.07 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 1gjq s VAL 451 CO 0.11 -0.62 0.06 0.00 -0.31 0.00 0.00 175.10 174.34 1gjq s ALA 452 N -3.10 3.51 -0.07 1.32 0.00 -0.11 -2.00 121.76 121.30 1gjq s ALA 452 Ca 0.21 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.34 1gjq s ALA 452 Cb 0.01 -1.56 0.02 0.00 0.00 0.00 0.00 23.12 21.59 1gjq s ALA 452 CO 0.05 0.66 -0.10 0.08 0.00 0.00 0.00 175.76 176.45 1gjq s VAL 453 N -1.10 1.03 0.14 0.00 1.01 -0.38 -1.42 120.40 119.67 1gjq s VAL 453 Ca 0.20 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.84 1gjq s VAL 453 Cb -0.12 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1gjq s VAL 453 CO 0.10 0.34 0.04 -0.36 0.00 0.00 0.00 175.10 175.22 1gjq s PHE 454 N 0.86 2.99 -0.35 5.22 0.40 0.05 -0.99 117.98 126.15 1gjq s PHE 454 Ca -0.11 -0.06 -0.16 0.00 -0.60 0.00 0.00 56.93 56.00 1gjq s PHE 454 Cb -0.15 -1.47 -0.01 0.00 0.51 0.00 0.00 43.02 41.90 1gjq s PHE 454 CO 0.01 0.51 0.38 0.34 0.70 0.00 0.00 175.22 177.16 1gjq s ASP 455 N -2.77 6.19 0.43 1.36 2.15 -1.26 -1.92 116.67 120.85 1gjq s ASP 455 Ca 0.28 -0.28 0.30 0.00 0.43 0.00 0.00 52.55 53.27 1gjq s ASP 455 Cb -0.10 -2.20 1.19 0.00 -0.30 0.00 0.00 42.92 41.50 1gjq s ASP 455 CO 0.20 -0.38 1.87 -0.07 -0.17 0.00 0.00 175.17 176.62 1gjq h LEU 456 N 8.81 0.00 0.00 -1.34 3.38 -1.46 -2.76 115.31 121.93 1gjq h LEU 456 Ca -0.29 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 1gjq h LEU 456 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1gjq h LEU 456 CO 0.71 0.00 -0.57 0.11 0.09 0.00 0.00 178.44 178.78 1gjq h LYS 457 N 0.00 0.00 -1.91 1.13 1.57 -1.93 -3.40 116.57 112.03 1gjq h LYS 457 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 1gjq h LYS 457 Cb 0.47 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 32.43 1gjq h LYS 457 CO 0.00 0.18 -0.95 0.09 -0.57 0.00 0.00 179.45 178.20 1gjq n ASN 458 N -3.01 -0.67 0.00 0.86 3.02 -1.06 -5.02 115.26 109.37 1gjq n ASN 458 Ca 0.01 -2.62 0.05 0.00 -0.03 0.00 0.00 54.58 51.98 1gjq n ASN 458 Cb 0.64 -0.20 0.22 0.00 -0.61 0.00 0.00 39.78 39.83 1gjq n ASN 458 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1gjq n LEU 459 N 2.18 0.00 0.09 3.41 4.77 -1.08 -2.87 117.00 123.50 1gjq n LEU 459 Ca 0.24 0.44 -0.08 0.00 -0.03 0.00 0.00 56.01 56.58 1gjq n LEU 459 Cb 0.52 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1gjq n LEU 459 CO 0.11 -0.29 0.26 0.44 -1.33 0.00 0.00 177.39 176.57 1gjq h ASP 460 N 0.00 0.19 -4.06 -1.43 3.32 -1.95 -3.46 116.42 109.03 1gjq h ASP 460 Ca 0.00 -0.16 -0.49 0.00 0.02 0.00 0.00 57.03 56.40 1gjq h ASP 460 Cb 0.15 -0.06 0.05 0.00 0.22 0.00 0.00 39.33 39.69 1gjq h ASP 460 CO 0.00 0.97 0.42 0.00 -1.72 0.00 0.00 179.24 178.91 1gjq s ALA 461 N -3.17 2.81 0.64 3.45 0.00 -1.14 -5.03 121.76 119.31 1gjq s ALA 461 Ca -0.02 0.77 -0.14 0.00 0.00 0.00 0.00 51.96 52.57 1gjq s ALA 461 Cb 0.10 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.88 1gjq s ALA 461 CO 0.82 -0.59 1.07 0.21 0.00 0.00 0.00 175.76 177.27 1gjq s LYS 462 N -3.14 3.08 0.93 0.00 2.20 -1.26 -4.83 119.74 116.71 1gjq s LYS 462 Ca 0.69 1.18 -0.11 0.00 -0.36 0.00 0.00 55.97 57.37 1gjq s LYS 462 Cb -0.22 -2.00 0.15 0.00 -1.51 0.00 0.00 37.83 34.25 1gjq s LYS 462 CO 0.26 -1.00 1.10 1.52 -0.36 0.00 0.00 175.35 176.87 1gjq s TYR 463 N -2.59 1.93 -0.01 4.03 -0.85 -1.26 -4.89 117.35 113.71 1gjq s TYR 463 Ca 0.63 1.51 0.02 0.00 -0.52 0.00 0.00 57.07 58.70 1gjq s TYR 463 Cb -0.16 -3.20 -0.03 0.00 0.38 0.00 0.00 41.96 38.95 1gjq s TYR 463 CO 0.43 -2.70 -0.04 -0.65 -1.52 0.00 0.00 175.55 171.07 1gjq s GLN 464 N -4.74 2.68 -0.23 -3.49 -0.21 -0.17 -4.88 119.66 108.62 1gjq s GLN 464 Ca 0.65 -0.65 -0.11 0.00 0.02 0.00 0.00 55.36 55.27 1gjq s GLN 464 Cb -0.21 -2.59 -0.05 0.00 1.00 0.00 0.00 33.01 31.16 1gjq s GLN 464 CO 0.58 0.62 0.16 0.08 -2.12 0.00 0.00 175.29 174.62 1gjq s VAL 465 N -1.01 5.36 -0.31 1.09 1.01 -1.26 -1.25 120.40 124.03 1gjq s VAL 465 Ca 0.17 0.20 -0.08 0.00 0.00 0.00 0.00 61.98 62.27 1gjq s VAL 465 Cb -0.11 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1gjq s VAL 465 CO 0.08 0.35 0.12 -0.76 0.00 0.00 0.00 175.10 174.90 1gjq s LEU 466 N 0.99 4.04 -1.37 3.92 1.02 -0.85 -5.00 118.68 121.42 1gjq s LEU 466 Ca 0.08 -0.64 -0.16 0.00 0.02 0.00 0.00 54.13 53.44 1gjq s LEU 466 Cb -0.13 -1.95 0.03 0.00 0.02 0.00 0.00 46.19 44.16 1gjq s LEU 466 CO 0.04 -0.21 2.10 -0.81 0.02 0.00 0.00 176.35 177.49 1gjq n PRO 467 N 4.93 2.80 -0.06 1.29 -0.04 -1.26 -2.33 135.00 140.33 1gjq n PRO 467 Ca -0.14 -2.68 -0.07 0.00 -0.04 0.00 0.00 63.50 60.56 1gjq n PRO 467 Cb 0.48 -3.31 -0.01 0.00 -0.04 0.00 0.00 33.50 30.62 1gjq n PRO 467 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1gjq h ILE 468 N 4.40 0.65 -0.10 0.52 1.08 -1.92 -0.70 117.51 121.44 1gjq h ILE 468 Ca 0.53 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.88 1gjq h ILE 468 Cb 0.69 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 35.09 1gjq h ILE 468 CO 1.79 0.00 -0.47 0.00 -0.69 0.00 0.00 178.15 178.78 1gjq h ALA 469 N 1.16 1.02 -0.28 1.87 0.00 -1.58 -2.70 119.26 118.74 1gjq h ALA 469 Ca 0.13 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 1gjq h ALA 469 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1gjq h ALA 469 CO -0.30 0.64 -0.44 1.49 0.00 0.00 0.00 179.25 180.64 1gjq h GLU 470 N 0.19 0.72 0.00 0.00 4.81 -1.72 -2.80 114.58 115.78 1gjq h GLU 470 Ca 0.01 -0.39 -0.05 0.00 -0.13 0.00 0.00 59.36 58.80 1gjq h GLU 470 Cb 0.91 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1gjq h GLU 470 CO 0.07 1.01 -0.24 -1.49 -0.73 0.00 0.00 179.01 177.64 1gjq h TRP 471 N 0.58 0.00 0.00 0.92 6.55 -0.98 -2.86 115.95 120.16 1gjq h TRP 471 Ca 0.04 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.78 1gjq h TRP 471 Cb 0.99 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.27 1gjq h TRP 471 CO 0.05 0.24 -0.45 0.00 -1.05 0.00 0.00 178.44 177.22 1gjq h ALA 472 N 1.76 1.05 -5.76 1.49 0.00 -1.20 -3.49 119.26 113.12 1gjq h ALA 472 Ca -0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 1gjq h ALA 472 Cb 0.57 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1gjq h ALA 472 CO 0.03 0.57 -0.36 -3.47 0.00 0.00 0.00 179.25 176.02 1gjq n ASP 473 N -3.71 -6.97 -0.00 0.00 2.03 -1.08 -4.99 116.55 101.83 1gjq n ASP 473 Ca -0.01 -0.26 0.03 0.00 0.52 0.00 0.00 54.79 55.07 1gjq n ASP 473 Cb 0.52 -4.26 -0.04 0.00 -0.72 0.00 0.00 41.12 36.63 1gjq n ASP 473 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1gjq n LEU 474 N -1.84 0.18 0.00 -2.67 4.77 -1.26 -5.12 117.00 111.07 1gjq n LEU 474 Ca -0.08 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 1gjq n LEU 474 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1gjq n LEU 474 CO 0.56 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1gjq n GLY 475 N 1.48 1.00 3.86 -0.72 0.00 -1.26 -4.75 105.19 104.81 1gjq n GLY 475 Ca 0.00 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 1gjq n GLY 475 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1gjq s GLU 476 N 0.00 3.80 0.00 1.61 -1.05 -1.26 -5.02 118.70 116.78 1gjq s GLU 476 Ca 0.00 0.75 0.00 0.00 -0.15 0.00 0.00 54.97 55.57 1gjq s GLU 476 Cb 0.00 -2.19 0.00 0.00 -0.44 0.00 0.00 34.13 31.50 1gjq s GLU 476 CO 0.00 -0.28 0.00 0.41 0.95 0.00 0.00 175.26 176.34 1gjq n GLY 477 N -1.84 3.08 0.31 -3.83 0.00 -1.26 -4.68 105.19 96.98 1gjq n GLY 477 Ca 0.05 -1.98 0.02 0.00 0.00 0.00 0.00 46.02 44.10 1gjq n GLY 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gjq h ALA 478 N 0.00 1.55 -6.69 4.61 0.00 -1.95 -3.47 119.26 113.30 1gjq h ALA 478 Ca 0.00 -0.08 -0.54 0.00 0.00 0.00 0.00 54.91 54.29 1gjq h ALA 478 Cb 0.00 -0.21 -0.16 0.00 0.00 0.00 0.00 17.79 17.42 1gjq h ALA 478 CO 0.00 0.38 -0.86 1.63 0.00 0.00 0.00 179.25 180.41 1gjq n LYS 479 N -4.41 -3.10 -2.02 0.00 5.02 -1.26 -4.85 118.16 107.53 1gjq n LYS 479 Ca 0.04 0.37 -0.42 0.00 -2.02 0.00 0.00 58.31 56.28 1gjq n LYS 479 Cb 0.09 -4.86 -0.03 0.00 -0.02 0.00 0.00 35.03 30.22 1gjq n LYS 479 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1gjq s ARG 480 N -6.85 4.26 -0.06 1.97 0.52 -1.21 -4.46 118.95 113.13 1gjq s ARG 480 Ca 0.49 2.26 -0.15 0.00 -0.52 0.00 0.00 55.73 57.81 1gjq s ARG 480 Cb -0.27 -3.17 -0.05 0.00 0.52 0.00 0.00 34.95 31.98 1gjq s ARG 480 CO 0.92 -0.51 0.38 0.08 0.02 0.00 0.00 175.30 176.19 1gjq s VAL 481 N 0.87 5.14 -0.02 3.52 1.01 0.19 -0.72 120.40 130.40 1gjq s VAL 481 Ca 0.66 0.77 -0.06 0.00 0.00 0.00 0.00 61.98 63.35 1gjq s VAL 481 Cb -0.41 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.27 1gjq s VAL 481 CO 0.33 0.50 0.13 0.54 0.00 0.00 0.00 175.10 176.60 1gjq s VAL 482 N -0.45 0.05 -0.08 2.92 0.11 -0.36 -3.60 120.40 118.99 1gjq s VAL 482 Ca 0.22 -0.41 -0.06 0.00 -2.93 0.00 0.00 61.98 58.80 1gjq s VAL 482 Cb -0.15 -0.33 0.02 0.00 -1.53 0.00 0.00 36.38 34.39 1gjq s VAL 482 CO 0.10 -0.23 0.11 1.67 -3.33 0.00 0.00 175.10 173.43 1gjq n GLN 483 N 2.11 -3.41 -2.85 1.54 7.27 -1.26 -2.08 117.38 118.69 1gjq n GLN 483 Ca -0.18 2.60 -0.40 0.00 0.07 0.00 0.00 57.00 59.08 1gjq n GLN 483 Cb 0.57 -3.45 -0.05 0.00 2.41 0.00 0.00 30.24 29.72 1gjq n GLN 483 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1gjq s PRO 484 N -0.41 4.65 -0.05 3.69 0.02 -1.26 -4.31 135.00 137.33 1gjq s PRO 484 Ca -0.13 1.30 -0.03 0.00 0.02 0.00 0.00 61.00 62.16 1gjq s PRO 484 Cb 0.01 -3.34 0.03 0.00 0.02 0.00 0.00 34.50 31.22 1gjq s PRO 484 CO 0.36 0.35 0.12 -2.00 -0.33 0.00 0.00 177.00 175.49 1gjq s GLU 485 N -0.41 0.09 0.59 5.54 2.56 -0.33 -4.85 118.70 121.89 1gjq s GLU 485 Ca 0.42 0.27 -0.02 0.00 0.00 0.00 0.00 54.97 55.63 1gjq s GLU 485 Cb -0.23 -0.10 0.04 0.00 2.00 0.00 0.00 34.13 35.84 1gjq s GLU 485 CO 0.28 -0.11 0.85 0.71 -0.56 0.00 0.00 175.26 176.43 1gjq s TYR 486 N 0.75 2.95 0.67 5.30 1.51 -1.26 0.81 117.35 128.08 1gjq s TYR 486 Ca -0.06 0.22 0.05 0.00 -1.01 0.00 0.00 57.07 56.27 1gjq s TYR 486 Cb -0.08 -2.85 0.12 0.00 -0.11 0.00 0.00 41.96 39.04 1gjq s TYR 486 CO -0.03 -0.99 0.92 0.54 -1.11 0.00 0.00 175.55 174.87 1gjq s ASN 487 N -4.42 4.63 0.28 2.29 4.22 -1.05 -4.62 114.94 116.26 1gjq s ASN 487 Ca 0.57 -0.67 -0.03 0.00 -2.14 0.00 0.00 52.86 50.59 1gjq s ASN 487 Cb -0.10 0.27 0.37 0.00 1.28 0.00 0.00 41.25 43.06 1gjq s ASN 487 CO 0.41 -1.68 1.94 0.50 -2.04 0.00 0.00 177.10 176.22 1gjq h LYS 488 N -0.24 1.14 0.00 3.55 3.64 -1.90 -2.84 116.57 119.92 1gjq h LYS 488 Ca -0.32 -0.09 -0.14 0.00 -1.27 0.00 0.00 60.65 58.83 1gjq h LYS 488 Cb 1.28 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1gjq h LYS 488 CO 0.39 0.78 -0.65 0.00 -2.27 0.00 0.00 179.45 177.70 1gjq h ARG 489 N 1.17 0.00 0.00 1.90 3.08 -1.96 -3.48 114.38 115.09 1gjq h ARG 489 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1gjq h ARG 489 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1gjq h ARG 489 CO -0.06 0.65 0.00 0.41 -1.07 0.00 0.00 179.97 179.90 1gjq n GLY 490 N 0.38 0.63 0.00 0.04 0.00 -1.08 -4.87 105.19 100.30 1gjq n GLY 490 Ca -0.01 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 45.71 1gjq n GLY 490 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gjq n ASP 491 N 0.71 0.81 -4.32 1.61 5.68 -1.26 -4.48 116.55 115.31 1gjq n ASP 491 Ca 0.00 -0.73 -0.31 0.00 -0.50 0.00 0.00 54.79 53.25 1gjq n ASP 491 Cb 0.00 1.20 -0.16 0.00 -1.14 0.00 0.00 41.12 41.02 1gjq n ASP 491 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1gjq s GLU 492 N -2.90 2.02 -0.14 0.11 2.02 -1.26 -0.59 118.70 117.96 1gjq s GLU 492 Ca 0.04 -0.97 0.00 0.00 0.02 0.00 0.00 54.97 54.06 1gjq s GLU 492 Cb 0.14 -2.01 0.02 0.00 0.10 0.00 0.00 34.13 32.38 1gjq s GLU 492 CO 0.78 0.54 -0.12 0.08 0.02 0.00 0.00 175.26 176.56 1gjq s VAL 493 N -0.66 1.40 0.02 2.63 1.01 -0.39 -2.52 120.40 121.88 1gjq s VAL 493 Ca 0.10 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 1gjq s VAL 493 Cb -0.10 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 1gjq s VAL 493 CO -0.00 0.42 0.25 0.26 0.00 0.00 0.00 175.10 176.04 1gjq s TRP 494 N 1.56 3.56 0.08 5.22 0.52 0.24 -0.90 118.94 129.21 1gjq s TRP 494 Ca 0.05 0.50 0.02 0.00 0.02 0.00 0.00 56.10 56.69 1gjq s TRP 494 Cb -0.13 -1.94 -0.03 0.00 -1.15 0.00 0.00 33.47 30.22 1gjq s TRP 494 CO -0.10 0.60 -0.07 -0.06 0.02 0.00 0.00 176.95 177.34 1gjq s PHE 495 N -1.35 0.83 -0.14 -1.98 0.40 -0.07 -1.19 117.98 114.48 1gjq s PHE 495 Ca 0.29 -0.72 -0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1gjq s PHE 495 Cb -0.13 -0.48 -0.01 0.00 0.51 0.00 0.00 43.02 42.91 1gjq s PHE 495 CO 0.18 -0.11 -0.12 -1.12 0.70 0.00 0.00 175.22 174.75 1gjq s SER 496 N -2.40 4.05 -0.82 1.36 0.01 -0.89 -1.62 113.70 113.39 1gjq s SER 496 Ca 0.03 -0.33 -0.12 0.00 1.31 0.00 0.00 55.95 56.83 1gjq s SER 496 Cb -0.02 -1.63 0.22 0.00 0.21 0.00 0.00 66.02 64.80 1gjq s SER 496 CO -0.02 0.15 0.75 -0.69 0.41 0.00 0.00 173.24 173.83 1gjq s VAL 497 N 0.46 5.41 -0.99 3.43 1.01 0.34 -1.22 120.40 128.84 1gjq s VAL 497 Ca -0.09 -2.58 -0.23 0.00 0.00 0.00 0.00 61.98 59.08 1gjq s VAL 497 Cb -0.16 -4.35 0.02 0.00 0.00 0.00 0.00 36.38 31.89 1gjq s VAL 497 CO 0.04 -1.02 1.63 0.86 0.00 0.00 0.00 175.10 176.62 1gjq s TRP 498 N 0.06 2.29 0.53 5.22 -0.00 0.10 -3.15 118.94 124.00 1gjq s TRP 498 Ca 0.18 -0.36 0.07 0.00 -0.00 0.00 0.00 56.10 55.99 1gjq s TRP 498 Cb -0.11 -4.47 0.06 0.00 -0.00 0.00 0.00 33.47 28.94 1gjq s TRP 498 CO -0.08 -1.86 0.73 1.21 -0.00 0.00 0.00 176.95 176.95 1gjq s ASN 499 N 5.98 5.25 0.69 5.86 3.84 -1.26 -3.32 114.94 131.99 1gjq s ASN 499 Ca 0.55 -0.53 -0.14 0.00 0.21 0.00 0.00 52.86 52.95 1gjq s ASN 499 Cb -0.02 -0.25 0.02 0.00 -0.55 0.00 0.00 41.25 40.45 1gjq s ASN 499 CO -0.06 -1.15 1.12 -0.83 -2.79 0.00 0.00 177.10 173.39 1gjq s GLY 500 N -4.52 2.09 0.55 1.21 0.00 -1.26 -4.32 107.32 101.07 1gjq s GLY 500 Ca 0.59 0.55 0.24 0.00 0.00 0.00 0.00 44.72 46.10 1gjq s GLY 500 CO 0.37 0.91 2.10 0.07 0.00 0.00 0.00 173.10 176.55 1gjq h LYS 501 N -0.24 0.00 -0.02 2.90 2.10 -1.98 -0.79 116.57 118.54 1gjq h LYS 501 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1gjq h LYS 501 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1gjq h LYS 501 CO 0.53 0.00 -0.18 0.09 -2.00 0.00 0.00 179.45 177.89 1gjq n ASN 502 N -4.16 2.04 -4.12 7.07 5.03 -1.26 -4.89 115.26 114.96 1gjq n ASN 502 Ca 0.02 -1.55 -0.18 0.00 0.87 0.00 0.00 54.58 53.73 1gjq n ASN 502 Cb 0.31 0.15 0.01 0.00 -1.02 0.00 0.00 39.78 39.23 1gjq n ASN 502 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1gjq n ASP 503 N 0.35 2.14 -4.70 6.41 8.00 -0.30 -5.13 116.55 123.32 1gjq n ASP 503 Ca 0.14 -2.35 -0.35 0.00 0.71 0.00 0.00 54.79 52.94 1gjq n ASP 503 Cb 0.46 -0.09 -0.09 0.00 -0.02 0.00 0.00 41.12 41.38 1gjq n ASP 503 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1gjq s SER 504 N -3.46 5.79 0.39 -2.24 0.01 -1.26 -4.78 113.70 108.15 1gjq s SER 504 Ca 0.28 0.19 0.08 0.00 1.31 0.00 0.00 55.95 57.81 1gjq s SER 504 Cb -0.02 -1.92 -0.06 0.00 0.21 0.00 0.00 66.02 64.22 1gjq s SER 504 CO 0.18 0.25 0.05 -0.44 0.41 0.00 0.00 173.24 173.69 1gjq s SER 505 N -0.11 4.09 0.16 2.44 0.01 -1.26 -4.73 113.70 114.30 1gjq s SER 505 Ca 0.08 -1.18 -0.21 0.00 1.31 0.00 0.00 55.95 55.94 1gjq s SER 505 Cb -0.12 -0.45 0.06 0.00 0.21 0.00 0.00 66.02 65.72 1gjq s SER 505 CO 0.01 -0.40 0.57 0.00 0.41 0.00 0.00 173.24 173.82 1gjq s ALA 506 N -2.62 -1.39 -0.19 1.44 0.00 -1.19 -4.66 121.76 113.14 1gjq s ALA 506 Ca 0.36 0.28 -0.02 0.00 0.00 0.00 0.00 51.96 52.58 1gjq s ALA 506 Cb 0.05 0.85 -0.00 0.00 0.00 0.00 0.00 23.12 24.01 1gjq s ALA 506 CO 0.19 -0.77 -0.09 -0.51 0.00 0.00 0.00 175.76 174.59 1gjq s LEU 507 N -2.78 2.72 -0.20 0.00 1.43 -0.79 -0.50 118.68 118.56 1gjq s LEU 507 Ca 0.03 -0.42 -0.08 0.00 -1.03 0.00 0.00 54.13 52.62 1gjq s LEU 507 Cb -0.01 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1gjq s LEU 507 CO -0.11 0.03 0.09 -0.69 0.23 0.00 0.00 176.35 175.90 1gjq s VAL 508 N 1.18 4.95 -0.14 -1.59 1.01 -0.64 -0.58 120.40 124.59 1gjq s VAL 508 Ca 0.02 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1gjq s VAL 508 Cb -0.14 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 1gjq s VAL 508 CO -0.03 0.43 -0.01 -0.69 0.00 0.00 0.00 175.10 174.79 1gjq s VAL 509 N 0.57 4.12 -0.02 2.92 1.01 -0.39 -0.89 120.40 127.71 1gjq s VAL 509 Ca 0.05 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.82 1gjq s VAL 509 Cb -0.13 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 1gjq s VAL 509 CO 0.01 0.52 -0.26 -0.69 0.00 0.00 0.00 175.10 174.68 1gjq s VAL 510 N -0.01 2.04 -0.53 2.92 1.01 -0.08 -1.17 120.40 124.59 1gjq s VAL 510 Ca 0.02 -1.10 -0.28 0.00 0.00 0.00 0.00 61.98 60.62 1gjq s VAL 510 Cb -0.13 -1.69 0.03 0.00 0.00 0.00 0.00 36.38 34.59 1gjq s VAL 510 CO 0.02 0.58 1.11 -0.62 0.00 0.00 0.00 175.10 176.19 1gjq s ASP 511 N -0.58 6.50 0.39 3.32 -1.08 -0.47 -1.27 116.67 123.49 1gjq s ASP 511 Ca 0.09 0.17 0.07 0.00 -0.52 0.00 0.00 52.55 52.36 1gjq s ASP 511 Cb -0.10 -2.53 0.81 0.00 -1.46 0.00 0.00 42.92 39.64 1gjq s ASP 511 CO -0.01 -1.32 2.02 -0.78 0.52 0.00 0.00 175.17 175.60 1gjq h ASP 512 N 9.36 0.55 -0.05 -0.34 3.58 -1.16 0.40 116.42 128.75 1gjq h ASP 512 Ca -0.24 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.12 1gjq h ASP 512 Cb 1.06 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 1gjq h ASP 512 CO 1.14 0.38 -0.18 0.11 -2.88 0.00 0.00 179.24 177.81 1gjq h LYS 513 N 0.64 0.41 0.00 0.28 1.57 -1.91 -3.33 116.57 114.22 1gjq h LYS 513 Ca 0.21 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1gjq h LYS 513 Cb 0.05 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1gjq h LYS 513 CO -0.05 0.58 -0.27 0.25 -0.57 0.00 0.00 179.45 179.39 1gjq n THR 514 N -4.18 0.00 -1.24 -0.16 -2.24 -1.08 -5.02 114.28 100.36 1gjq n THR 514 Ca -0.00 -0.38 -0.08 0.00 -2.27 0.00 0.00 64.05 61.31 1gjq n THR 514 Cb 0.34 0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 69.47 1gjq n THR 514 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1gjq n LEU 515 N -1.14 -0.30 -4.93 3.22 4.77 0.14 -5.01 117.00 113.75 1gjq n LEU 515 Ca 0.00 0.20 -0.26 0.00 -0.03 0.00 0.00 56.01 55.93 1gjq n LEU 515 Cb 0.05 -2.03 -0.02 0.00 -2.33 0.00 0.00 43.42 39.09 1gjq n LEU 515 CO 0.06 -0.73 0.09 -0.54 -1.33 0.00 0.00 177.39 174.94 1gjq s LYS 516 N -2.43 3.52 0.07 3.23 1.02 -1.23 -4.86 119.74 119.05 1gjq s LYS 516 Ca 0.00 -0.33 -0.31 0.00 0.02 0.00 0.00 55.97 55.36 1gjq s LYS 516 Cb 0.00 -2.77 -0.08 0.00 -0.52 0.00 0.00 37.83 34.46 1gjq s LYS 516 CO 0.00 0.31 1.62 -1.17 -0.92 0.00 0.00 175.35 175.19 1gjq s LEU 517 N -3.69 4.36 -0.25 3.17 2.96 -1.26 -1.36 118.68 122.60 1gjq s LEU 517 Ca 0.39 2.45 -0.15 0.00 -0.22 0.00 0.00 54.13 56.60 1gjq s LEU 517 Cb -0.10 -3.56 -0.15 0.00 0.50 0.00 0.00 46.19 42.87 1gjq s LEU 517 CO 0.31 -0.86 -0.15 1.17 -1.32 0.00 0.00 176.35 175.50 1gjq n LYS 518 N 5.47 0.59 -3.58 1.98 4.81 -0.31 -4.83 118.16 122.29 1gjq n LYS 518 Ca 0.15 0.36 -0.09 0.00 -0.87 0.00 0.00 58.31 57.86 1gjq n LYS 518 Cb 0.41 -1.58 -0.02 0.00 0.02 0.00 0.00 35.03 33.86 1gjq n LYS 518 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1gjq s ALA 519 N -2.47 -1.55 -0.07 3.14 0.00 -1.13 -5.02 121.76 114.66 1gjq s ALA 519 Ca -0.35 0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.97 1gjq s ALA 519 Cb 0.11 0.77 0.02 0.00 0.00 0.00 0.00 23.12 24.03 1gjq s ALA 519 CO 0.54 -0.85 -0.08 0.08 0.00 0.00 0.00 175.76 175.45 1gjq s VAL 520 N -3.63 0.83 -0.37 0.00 1.01 -1.26 -1.27 120.40 115.71 1gjq s VAL 520 Ca 0.05 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.64 1gjq s VAL 520 Cb -0.02 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.55 1gjq s VAL 520 CO -0.06 0.30 0.24 -0.69 0.00 0.00 0.00 175.10 174.89 1gjq s VAL 521 N 1.04 5.00 0.01 2.92 1.01 0.25 -4.96 120.40 125.67 1gjq s VAL 521 Ca -0.08 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.39 1gjq s VAL 521 Cb -0.14 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1gjq s VAL 521 CO -0.00 -0.17 -0.23 -0.54 0.00 0.00 0.00 175.10 174.15 1gjq s LYS 522 N 1.65 1.74 -0.26 2.72 1.02 -1.26 -1.88 119.74 123.47 1gjq s LYS 522 Ca 0.04 -0.90 -0.26 0.00 0.02 0.00 0.00 55.97 54.88 1gjq s LYS 522 Cb -0.18 -1.76 0.11 0.00 -0.52 0.00 0.00 37.83 35.47 1gjq s LYS 522 CO 0.09 0.47 0.94 0.34 -0.92 0.00 0.00 175.35 176.27 1gjq s ASP 523 N -0.82 -0.52 0.56 2.83 -1.08 -1.26 -5.04 116.67 111.34 1gjq s ASP 523 Ca 0.09 0.95 0.32 0.00 -0.52 0.00 0.00 52.55 53.39 1gjq s ASP 523 Cb -0.09 0.95 1.68 0.00 -1.46 0.00 0.00 42.92 43.99 1gjq s ASP 523 CO 0.00 -0.21 2.14 1.55 0.52 0.00 0.00 175.17 179.17 1gjq h PRO 524 N 4.17 0.00 0.00 4.34 0.13 -2.00 -2.07 132.00 136.57 1gjq h PRO 524 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1gjq h PRO 524 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1gjq h PRO 524 CO 0.13 0.07 -0.12 0.00 -0.23 0.00 0.00 178.00 177.85 1gjq h ARG 525 N 0.00 0.00 -4.81 0.86 3.08 -2.01 -3.40 114.38 108.10 1gjq h ARG 525 Ca -0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.37 1gjq h ARG 525 Cb 0.25 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 1gjq h ARG 525 CO 0.01 0.00 2.64 -0.11 -1.07 0.00 0.00 179.97 181.43 1gjq n LEU 526 N -2.44 5.78 -4.68 3.04 7.94 -0.78 -4.92 117.00 120.94 1gjq n LEU 526 Ca 0.05 -3.93 -0.37 0.00 -1.11 0.00 0.00 56.01 50.64 1gjq n LEU 526 Cb 0.46 -1.66 -0.08 0.00 0.53 0.00 0.00 43.42 42.67 1gjq n LEU 526 CO 0.32 0.51 0.03 -0.63 -1.11 0.00 0.00 177.39 176.51 1gjq s ILE 527 N 4.08 5.25 -1.21 1.96 1.01 -1.26 -4.39 121.20 126.63 1gjq s ILE 527 Ca 0.51 0.58 -0.32 0.00 0.00 0.00 0.00 60.65 61.43 1gjq s ILE 527 Cb 0.10 -3.67 0.04 0.00 0.01 0.00 0.00 42.46 38.93 1gjq s ILE 527 CO -0.00 0.29 0.69 0.35 0.00 0.00 0.00 174.94 176.27 1gjq n THR 528 N 4.19 -3.29 -2.19 2.92 -2.24 -1.26 -3.70 114.28 108.71 1gjq n THR 528 Ca -0.10 -0.67 -0.42 0.00 -2.27 0.00 0.00 64.05 60.59 1gjq n THR 528 Cb 0.51 -2.66 -0.03 0.00 -2.10 0.00 0.00 70.33 66.06 1gjq n THR 528 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1gjq s PRO 529 N -7.18 4.35 0.00 -0.78 0.04 -1.26 -1.99 135.00 128.18 1gjq s PRO 529 Ca 0.48 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.59 1gjq s PRO 529 Cb -0.25 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1gjq s PRO 529 CO 0.95 -0.35 0.00 0.25 0.04 0.00 0.00 177.00 177.90 1gjq n THR 530 N 3.26 0.00 -2.55 1.26 -2.24 -0.87 -4.09 114.28 109.05 1gjq n THR 530 Ca 0.09 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.46 1gjq n THR 530 Cb 0.42 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 1gjq n THR 530 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1gjq s GLY 531 N -0.32 2.88 -0.11 3.38 0.00 -1.26 -4.74 107.32 107.15 1gjq s GLY 531 Ca 0.00 0.78 0.02 0.00 0.00 0.00 0.00 44.72 45.53 1gjq s GLY 531 CO 0.00 1.62 -0.18 0.54 0.00 0.00 0.00 173.10 175.07 1gjq s LYS 532 N -0.37 2.50 -0.22 2.90 1.02 -1.26 -0.79 119.74 123.53 1gjq s LYS 532 Ca 0.49 -0.67 0.01 0.00 0.02 0.00 0.00 55.97 55.81 1gjq s LYS 532 Cb -0.29 -2.03 0.06 0.00 -0.52 0.00 0.00 37.83 35.05 1gjq s LYS 532 CO 0.34 0.01 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.67 1gjq s PHE 533 N 0.76 2.31 0.03 3.18 0.08 -0.75 -4.88 117.98 118.72 1gjq s PHE 533 Ca -0.10 -1.67 -0.30 0.00 0.12 0.00 0.00 56.93 54.97 1gjq s PHE 533 Cb -0.16 -1.55 -0.06 0.00 -0.57 0.00 0.00 43.02 40.68 1gjq s PHE 533 CO 0.01 -0.76 1.32 1.21 -0.10 0.00 0.00 175.22 176.91 1gjq s ASN 534 N 1.42 6.93 0.12 1.36 3.84 -1.26 -1.05 114.94 126.30 1gjq s ASN 534 Ca -0.05 2.09 -0.34 0.00 0.21 0.00 0.00 52.86 54.77 1gjq s ASN 534 Cb -0.18 -2.57 -0.13 0.00 -0.55 0.00 0.00 41.25 37.82 1gjq s ASN 534 CO -0.07 -0.63 1.55 0.58 -2.79 0.00 0.00 177.10 175.75 1gjq h VAL 535 N 4.69 0.00 -0.28 -5.21 2.07 -1.09 -0.73 116.25 115.71 1gjq h VAL 535 Ca -0.39 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.16 1gjq h VAL 535 Cb 1.19 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1gjq h VAL 535 CO 0.87 0.00 0.09 0.22 0.02 0.00 0.00 177.57 178.77 1gjq h TYR 536 N -0.61 0.16 0.00 1.57 5.03 -1.47 -1.19 116.97 120.46 1gjq h TYR 536 Ca 0.03 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.32 1gjq h TYR 536 Cb 0.69 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.94 1gjq h TYR 536 CO -0.57 0.07 -0.18 -0.91 -1.32 0.00 0.00 178.16 175.25 1gjq h ASN 537 N 0.21 0.00 0.11 -2.11 2.35 -1.79 -1.61 115.58 112.75 1gjq h ASN 537 Ca 0.12 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.68 1gjq h ASN 537 Cb 0.10 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.48 1gjq h ASN 537 CO -0.13 0.18 -0.91 0.74 -1.65 0.00 0.00 177.43 175.66 1gjq h THR 538 N 0.00 1.39 -0.64 2.81 2.02 -0.82 -0.95 112.91 116.72 1gjq h THR 538 Ca -0.00 -2.46 -0.01 0.00 0.77 0.00 0.00 66.41 64.71 1gjq h THR 538 Cb 0.34 3.05 -0.03 0.00 -1.74 0.00 0.00 68.15 69.77 1gjq h THR 538 CO 0.02 0.68 0.37 -0.61 0.37 0.00 0.00 175.52 176.36 1gjq h GLN 539 N -0.45 0.88 -0.63 6.66 4.15 -1.11 -3.14 115.11 121.46 1gjq h GLN 539 Ca -0.18 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.15 1gjq h GLN 539 Cb 1.59 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 29.10 1gjq h GLN 539 CO 0.09 0.64 0.00 0.72 -1.93 0.00 0.00 178.83 178.35 1gjq n HIS 540 N -4.57 1.23 -3.97 3.99 8.25 -0.62 -4.96 115.22 114.57 1gjq n HIS 540 Ca 0.05 -0.58 -0.29 0.00 -0.26 0.00 0.00 57.72 56.64 1gjq n HIS 540 Cb 0.07 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.00 1gjq n HIS 540 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1gjq n ASP 541 N 1.13 -1.19 -4.45 0.41 9.92 -1.08 -4.92 116.55 116.38 1gjq n ASP 541 Ca 0.24 -1.06 -0.43 0.00 -0.53 0.00 0.00 54.79 53.00 1gjq n ASP 541 Cb 0.78 -2.82 -0.04 0.00 -0.64 0.00 0.00 41.12 38.40 1gjq n ASP 541 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1gjq s VAL 542 N -3.91 4.43 0.00 2.53 1.01 -0.38 -5.01 120.40 119.07 1gjq s VAL 542 Ca 0.11 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1gjq s VAL 542 Cb -0.05 -4.68 0.00 0.00 0.00 0.00 0.00 36.38 31.65 1gjq s VAL 542 CO 0.90 -1.43 0.00 0.00 0.00 0.00 0.00 175.10 174.57