#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cm4 n ASN 3 N 0.00 -2.12 -0.09 1.08 0.23 -1.26 -5.07 115.26 108.04 3cm4 n ASN 3 Ca 0.00 -2.69 0.08 0.00 -0.53 0.00 0.00 54.58 51.44 3cm4 n ASN 3 Cb 0.00 3.59 0.12 0.00 -2.08 0.00 0.00 39.78 41.41 3cm4 n ASN 3 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3cm4 n ASN 4 N -1.55 2.16 -4.75 0.53 3.02 -1.26 -4.52 115.26 108.89 3cm4 n ASN 4 Ca -0.07 -2.90 -0.41 0.00 -0.03 0.00 0.00 54.58 51.17 3cm4 n ASN 4 Cb 0.60 -0.37 -0.02 0.00 -0.61 0.00 0.00 39.78 39.38 3cm4 n ASN 4 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3cm4 s ASN 5 N -2.55 6.57 0.02 6.41 0.02 -1.26 -4.95 114.94 119.19 3cm4 s ASN 5 Ca 0.27 2.78 -0.18 0.00 -1.02 0.00 0.00 52.86 54.70 3cm4 s ASN 5 Cb 0.23 -2.63 0.03 0.00 0.02 0.00 0.00 41.25 38.90 3cm4 s ASN 5 CO 0.02 -0.75 0.40 -1.83 0.02 0.00 0.00 177.10 174.97 3cm4 s GLU 6 N -0.80 0.87 0.30 -0.60 -1.05 -1.26 -3.87 118.70 112.29 3cm4 s GLU 6 Ca 0.58 -0.28 -0.09 0.00 -0.15 0.00 0.00 54.97 55.02 3cm4 s GLU 6 Cb -0.43 0.39 0.01 0.00 -0.44 0.00 0.00 34.13 33.65 3cm4 s GLU 6 CO 0.48 -0.28 0.51 -0.59 0.95 0.00 0.00 175.26 176.33 3cm4 s PHE 7 N -2.12 0.58 -0.08 4.83 -0.12 -0.86 -4.99 117.98 115.22 3cm4 s PHE 7 Ca -0.08 -0.94 0.00 0.00 -0.05 0.00 0.00 56.93 55.87 3cm4 s PHE 7 Cb -0.02 0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.52 3cm4 s PHE 7 CO 0.00 -1.11 -0.07 0.15 -0.05 0.00 0.00 175.22 174.13 3cm4 s LYS 8 N -3.46 2.89 -0.54 1.99 1.02 -1.26 -0.22 119.74 120.16 3cm4 s LYS 8 Ca 0.25 -0.56 -0.07 0.00 0.02 0.00 0.00 55.97 55.61 3cm4 s LYS 8 Cb -0.01 -2.62 0.14 0.00 -0.52 0.00 0.00 37.83 34.82 3cm4 s LYS 8 CO 0.13 0.58 0.39 0.42 -0.92 0.00 0.00 175.35 175.95 3cm4 s ILE 9 N -0.59 4.04 0.00 2.17 1.01 0.11 -4.86 121.20 123.08 3cm4 s ILE 9 Ca 0.09 -2.23 0.00 0.00 0.00 0.00 0.00 60.65 58.51 3cm4 s ILE 9 Cb -0.12 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.70 3cm4 s ILE 9 CO 0.02 -0.81 0.00 0.61 0.00 0.00 0.00 174.94 174.75 3cm4 n GLY 10 N 4.36 3.97 0.33 6.18 0.00 -1.26 -1.94 105.19 116.83 3cm4 n GLY 10 Ca -0.00 0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.19 3cm4 n GLY 10 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cm4 n ASN 11 N 7.91 1.02 -4.44 1.61 0.23 -1.26 -4.85 115.26 115.48 3cm4 n ASN 11 Ca 0.00 -1.35 -0.42 0.00 -0.53 0.00 0.00 54.58 52.29 3cm4 n ASN 11 Cb 0.00 -0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.59 3cm4 n ASN 11 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 3cm4 s ARG 12 N -2.00 3.00 0.22 -3.83 6.06 -0.82 -5.06 118.95 116.53 3cm4 s ARG 12 Ca 0.41 -0.98 -0.30 0.00 -2.50 0.00 0.00 55.73 52.36 3cm4 s ARG 12 Cb 0.21 -3.87 -0.09 0.00 0.06 0.00 0.00 34.95 31.26 3cm4 s ARG 12 CO 0.34 -0.69 1.18 -1.12 -2.50 0.00 0.00 175.30 172.52 3cm4 s SER 13 N 1.65 7.10 -0.03 -2.12 0.01 -1.26 -0.71 113.70 118.34 3cm4 s SER 13 Ca 0.04 2.29 0.03 0.00 1.31 0.00 0.00 55.95 59.63 3cm4 s SER 13 Cb -0.19 -2.62 -0.00 0.00 0.21 0.00 0.00 66.02 63.42 3cm4 s SER 13 CO 0.09 -0.33 -0.13 -0.69 0.41 0.00 0.00 173.24 172.59 3cm4 s VAL 14 N -0.45 1.07 0.00 3.43 1.01 0.70 -4.78 120.40 121.38 3cm4 s VAL 14 Ca 0.50 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3cm4 s VAL 14 Cb -0.33 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.12 3cm4 s VAL 14 CO 0.39 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.42 3cm4 n GLY 15 N 3.16 1.75 0.38 4.51 0.00 -1.26 -2.03 105.19 111.69 3cm4 n GLY 15 Ca -0.18 -1.41 0.14 0.00 0.00 0.00 0.00 46.02 44.57 3cm4 n GLY 15 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3cm4 h TYR 16 N 0.00 0.81 -0.24 1.61 5.03 -1.83 -0.80 116.97 121.56 3cm4 h TYR 16 Ca 0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.33 3cm4 h TYR 16 Cb 0.00 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.03 3cm4 h TYR 16 CO 0.00 0.24 0.00 0.09 -1.32 0.00 0.00 178.16 177.17 3cm4 n ASN 17 N -4.60 1.51 -4.60 -2.11 3.02 -1.26 -4.88 115.26 102.34 3cm4 n ASN 17 Ca 0.20 -1.86 -0.24 0.00 -0.03 0.00 0.00 54.58 52.64 3cm4 n ASN 17 Cb 0.57 -0.15 -0.09 0.00 -0.61 0.00 0.00 39.78 39.50 3cm4 n ASN 17 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3cm4 s HIS 18 N -1.69 2.52 0.30 3.10 3.76 -0.31 -5.09 115.29 117.89 3cm4 s HIS 18 Ca 0.25 -0.37 -0.30 0.00 -0.15 0.00 0.00 55.06 54.48 3cm4 s HIS 18 Cb 0.13 -1.33 -0.12 0.00 1.11 0.00 0.00 32.58 32.37 3cm4 s HIS 18 CO 0.18 0.56 1.57 -1.91 -0.85 0.00 0.00 174.74 174.29 3cm4 n GLU 19 N -0.87 2.64 -1.79 1.40 4.07 -1.26 -4.77 120.64 120.06 3cm4 n GLU 19 Ca -0.05 0.94 -0.39 0.00 -0.06 0.00 0.00 57.16 57.60 3cm4 n GLU 19 Cb 0.61 -2.70 0.03 0.00 -0.06 0.00 0.00 31.44 29.32 3cm4 n GLU 19 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 3cm4 s PRO 20 N -0.70 3.36 -0.21 5.31 0.02 -1.26 -4.77 135.00 136.75 3cm4 s PRO 20 Ca 0.63 2.30 -0.08 0.00 0.02 0.00 0.00 61.00 63.87 3cm4 s PRO 20 Cb -0.51 -2.41 -0.04 0.00 0.02 0.00 0.00 34.50 31.56 3cm4 s PRO 20 CO 0.50 -1.04 0.09 -1.17 -0.33 0.00 0.00 177.00 175.05 3cm4 s LEU 21 N -3.21 3.82 -0.26 -5.54 0.20 0.13 -4.99 118.68 108.83 3cm4 s LEU 21 Ca 0.67 0.03 -0.11 0.00 0.69 0.00 0.00 54.13 55.42 3cm4 s LEU 21 Cb -0.42 -1.99 -0.05 0.00 -0.43 0.00 0.00 46.19 43.30 3cm4 s LEU 21 CO 0.51 0.11 0.18 -0.63 -0.29 0.00 0.00 176.35 176.22 3cm4 s ILE 22 N 0.79 5.33 -0.27 6.68 1.01 -1.26 0.12 121.20 133.60 3cm4 s ILE 22 Ca 0.05 0.17 -0.16 0.00 0.00 0.00 0.00 60.65 60.71 3cm4 s ILE 22 Cb -0.13 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 3cm4 s ILE 22 CO 0.02 0.29 0.43 -0.63 0.00 0.00 0.00 174.94 175.05 3cm4 s ILE 23 N 1.48 5.13 -0.62 2.92 1.01 0.11 -4.18 121.20 127.06 3cm4 s ILE 23 Ca 0.07 0.67 -0.23 0.00 0.00 0.00 0.00 60.65 61.17 3cm4 s ILE 23 Cb -0.15 -3.75 0.06 0.00 0.01 0.00 0.00 42.46 38.63 3cm4 s ILE 23 CO 0.08 0.12 0.94 0.00 0.00 0.00 0.00 174.94 176.08 3cm4 s GLU 25 N 3.95 3.25 0.20 0.00 2.56 -0.53 -0.54 118.70 127.58 3cm4 s GLU 25 Ca 0.24 -0.72 0.04 0.00 0.00 0.00 0.00 54.97 54.53 3cm4 s GLU 25 Cb -0.16 -4.42 0.10 0.00 2.00 0.00 0.00 34.13 31.65 3cm4 s GLU 25 CO 0.13 -2.00 1.45 0.82 -0.56 0.00 0.00 175.26 175.10 3cm4 h ILE 26 N 6.09 1.47 0.00 -3.70 2.04 -1.41 0.28 117.51 122.27 3cm4 h ILE 26 Ca -0.18 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.27 3cm4 h ILE 26 Cb 1.05 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 3cm4 h ILE 26 CO 1.25 0.70 0.00 0.61 0.00 0.00 0.00 178.15 180.71 3cm4 n GLY 27 N 0.64 3.33 1.38 5.37 0.00 -1.16 -0.65 105.19 114.10 3cm4 n GLY 27 Ca -0.03 0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.24 3cm4 n GLY 27 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3cm4 n ILE 28 N 0.00 1.40 0.33 -0.61 -5.35 -1.26 -4.02 119.36 109.85 3cm4 n ILE 28 Ca 0.00 -1.11 0.21 0.00 -0.27 0.00 0.00 62.75 61.58 3cm4 n ILE 28 Cb 0.00 0.32 1.16 0.00 -1.74 0.00 0.00 39.64 39.37 3cm4 n ILE 28 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 3cm4 h ASN 29 N 3.93 0.00 0.97 7.28 4.21 -1.24 -1.67 115.58 129.06 3cm4 h ASN 29 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3cm4 h ASN 29 Cb 1.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 3cm4 h ASN 29 CO 0.11 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.25 3cm4 n HIS 30 N -3.25 0.30 -3.24 1.19 1.44 -1.26 -4.92 115.22 105.47 3cm4 n HIS 30 Ca -0.03 0.10 -0.23 0.00 -2.01 0.00 0.00 57.72 55.54 3cm4 n HIS 30 Cb 0.07 -0.66 0.03 0.00 0.12 0.00 0.00 29.99 29.56 3cm4 n HIS 30 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3cm4 n GLU 31 N -1.76 -5.05 -0.76 -1.40 -0.58 -0.63 -1.93 120.64 108.54 3cm4 n GLU 31 Ca 0.05 0.78 0.00 0.00 -0.42 0.00 0.00 57.16 57.58 3cm4 n GLU 31 Cb 0.31 -5.64 0.00 0.00 -0.57 0.00 0.00 31.44 25.54 3cm4 n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3cm4 n GLY 32 N -1.53 1.28 3.57 0.62 0.00 -1.08 -4.67 105.19 103.39 3cm4 n GLY 32 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 3cm4 n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cm4 s SER 33 N -3.15 6.23 0.23 1.61 0.15 -0.81 -4.84 113.70 113.11 3cm4 s SER 33 Ca 0.00 0.03 -0.06 0.00 0.70 0.00 0.00 55.95 56.62 3cm4 s SER 33 Cb 0.00 -2.21 0.20 0.00 -1.71 0.00 0.00 66.02 62.30 3cm4 s SER 33 CO 0.00 -0.29 1.78 0.25 1.20 0.00 0.00 173.24 176.18 3cm4 h LEU 34 N 8.73 1.04 -0.49 3.45 5.85 -1.95 -1.42 115.31 130.52 3cm4 h LEU 34 Ca -0.30 -0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.34 3cm4 h LEU 34 Cb 1.15 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 41.82 3cm4 h LEU 34 CO 0.68 0.94 -0.05 0.50 -0.34 0.00 0.00 178.44 180.18 3cm4 h LYS 35 N 1.09 0.06 -0.31 1.25 3.64 -1.95 -0.65 116.57 119.71 3cm4 h LYS 35 Ca 0.24 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 3cm4 h LYS 35 Cb 0.25 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3cm4 h LYS 35 CO -0.01 0.04 0.05 1.15 -2.27 0.00 0.00 179.45 178.41 3cm4 h THR 36 N 0.06 1.23 -0.75 1.00 2.02 -1.75 -1.87 112.91 112.86 3cm4 h THR 36 Ca 0.24 -0.80 0.16 0.00 0.77 0.00 0.00 66.41 66.78 3cm4 h THR 36 Cb 0.37 1.17 -0.10 0.00 -1.74 0.00 0.00 68.15 67.84 3cm4 h THR 36 CO -0.45 0.26 0.25 0.00 0.37 0.00 0.00 175.52 175.95 3cm4 h ALA 37 N 0.88 1.03 -0.34 6.16 0.00 -0.90 -0.94 119.26 125.15 3cm4 h ALA 37 Ca 0.09 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3cm4 h ALA 37 Cb 0.34 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3cm4 h ALA 37 CO 0.01 -0.28 0.04 0.74 0.00 0.00 0.00 179.25 179.75 3cm4 h PHE 38 N 0.35 0.62 -0.99 0.00 -1.00 -0.75 0.47 116.94 115.63 3cm4 h PHE 38 Ca 0.42 -0.09 0.11 0.00 2.81 0.00 0.00 57.97 61.22 3cm4 h PHE 38 Cb 0.70 -0.17 -0.08 0.00 3.61 0.00 0.00 35.95 40.01 3cm4 h PHE 38 CO -0.21 0.66 0.62 0.93 -1.61 0.00 0.00 178.31 178.70 3cm4 h GLU 39 N 0.40 0.98 -0.01 1.51 5.08 -0.77 0.14 114.58 121.91 3cm4 h GLU 39 Ca 0.10 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.21 3cm4 h GLU 39 Cb 0.38 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3cm4 h GLU 39 CO 0.01 0.65 -0.83 0.52 -1.00 0.00 0.00 179.01 178.35 3cm4 h MET 40 N 1.01 0.21 -0.50 2.33 2.86 -0.74 -1.78 114.93 118.31 3cm4 h MET 40 Ca 0.48 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.84 3cm4 h MET 40 Cb 0.44 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 3cm4 h MET 40 CO -0.25 0.93 0.05 0.28 1.06 0.00 0.00 176.91 178.98 3cm4 h VAL 41 N 0.12 1.25 -0.39 -2.22 2.07 -0.31 -1.60 116.25 115.18 3cm4 h VAL 41 Ca -0.04 -0.98 0.05 0.00 0.82 0.00 0.00 66.70 66.55 3cm4 h VAL 41 Cb 1.44 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 3cm4 h VAL 41 CO 0.13 0.35 0.14 0.44 0.02 0.00 0.00 177.57 178.65 3cm4 h ASP 42 N 0.71 0.15 -0.65 0.57 3.45 -0.64 -0.05 116.42 119.97 3cm4 h ASP 42 Ca 0.15 0.04 -0.05 0.00 0.43 0.00 0.00 57.03 57.60 3cm4 h ASP 42 Cb 0.44 0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 39.20 3cm4 h ASP 42 CO 0.02 0.12 0.24 0.00 -1.57 0.00 0.00 179.24 178.05 3cm4 h ALA 43 N 1.25 1.15 -0.15 3.45 0.00 -1.19 -1.03 119.26 122.73 3cm4 h ALA 43 Ca 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3cm4 h ALA 43 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3cm4 h ALA 43 CO -0.18 0.60 0.03 0.00 0.00 0.00 0.00 179.25 179.70 3cm4 h ALA 44 N 1.27 0.20 0.04 0.00 0.00 -0.87 -1.91 119.26 117.99 3cm4 h ALA 44 Ca 0.22 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3cm4 h ALA 44 Cb 0.24 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3cm4 h ALA 44 CO -0.01 -0.15 -0.12 -0.92 0.00 0.00 0.00 179.25 178.04 3cm4 h TYR 45 N 0.04 -0.31 0.00 0.00 3.20 -0.80 -0.64 116.97 118.46 3cm4 h TYR 45 Ca 0.05 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 3cm4 h TYR 45 Cb 0.28 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 3cm4 h TYR 45 CO 0.01 -0.18 -0.10 -0.91 -1.64 0.00 0.00 178.16 175.34 3cm4 h ASN 46 N -0.23 0.00 0.63 -2.11 2.35 -1.15 0.36 115.58 115.43 3cm4 h ASN 46 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3cm4 h ASN 46 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3cm4 h ASN 46 CO -0.09 0.10 -0.12 0.00 -1.65 0.00 0.00 177.43 175.67 3cm4 n ALA 47 N -2.23 2.69 -0.27 -0.83 0.00 -0.72 -4.93 120.51 114.22 3cm4 n ALA 47 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3cm4 n ALA 47 Cb 0.24 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3cm4 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cm4 n GLY 48 N 1.39 0.83 3.76 0.00 0.00 0.12 -4.72 105.19 106.56 3cm4 n GLY 48 Ca 0.10 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 3cm4 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cm4 s ALA 49 N -2.00 2.85 -0.22 4.61 0.00 -0.28 -4.96 121.76 121.77 3cm4 s ALA 49 Ca 0.00 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.18 3cm4 s ALA 49 Cb 0.00 -3.49 -0.18 0.00 0.00 0.00 0.00 23.12 19.45 3cm4 s ALA 49 CO 0.00 -1.08 -0.11 0.39 0.00 0.00 0.00 175.76 174.97 3cm4 n GLU 50 N -0.87 0.74 -4.38 0.00 1.02 -1.26 -4.73 120.64 111.15 3cm4 n GLU 50 Ca 0.09 0.08 -0.21 0.00 -0.02 0.00 0.00 57.16 57.10 3cm4 n GLU 50 Cb 0.47 -1.47 -0.16 0.00 -0.02 0.00 0.00 31.44 30.25 3cm4 n GLU 50 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3cm4 s VAL 51 N -2.46 0.81 -0.16 2.62 1.01 -1.26 -1.23 120.40 119.73 3cm4 s VAL 51 Ca -0.23 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 3cm4 s VAL 51 Cb 0.07 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 3cm4 s VAL 51 CO 0.62 0.27 -0.07 -0.69 0.00 0.00 0.00 175.10 175.23 3cm4 s VAL 52 N 0.56 3.44 -0.11 2.92 1.01 -0.28 -1.77 120.40 126.17 3cm4 s VAL 52 Ca -0.09 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 3cm4 s VAL 52 Cb -0.13 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 3cm4 s VAL 52 CO 0.01 0.49 0.04 -0.75 0.00 0.00 0.00 175.10 174.89 3cm4 s LYS 53 N 0.64 3.30 0.54 2.72 2.20 0.30 -1.87 119.74 127.57 3cm4 s LYS 53 Ca -0.04 -0.35 0.06 0.00 -0.36 0.00 0.00 55.97 55.29 3cm4 s LYS 53 Cb -0.15 -2.96 0.04 0.00 -1.51 0.00 0.00 37.83 33.26 3cm4 s LYS 53 CO 0.02 0.61 0.47 -1.58 -0.36 0.00 0.00 175.35 174.52 3cm4 s HIS 54 N -0.62 1.70 -0.06 4.03 5.65 -0.48 -1.31 115.29 124.20 3cm4 s HIS 54 Ca 0.11 -0.79 0.05 0.00 0.25 0.00 0.00 55.06 54.68 3cm4 s HIS 54 Cb -0.12 -1.99 -0.00 0.00 -1.18 0.00 0.00 32.58 29.29 3cm4 s HIS 54 CO 0.02 -0.56 -0.21 -0.65 -0.65 0.00 0.00 174.74 172.70 3cm4 s GLN 55 N -4.33 2.24 -0.37 2.88 -0.21 -1.26 -2.13 119.66 116.49 3cm4 s GLN 55 Ca 0.40 -0.74 -0.11 0.00 0.02 0.00 0.00 55.36 54.93 3cm4 s GLN 55 Cb -0.03 -1.87 0.02 0.00 1.00 0.00 0.00 33.01 32.13 3cm4 s GLN 55 CO 0.25 0.27 0.21 0.99 -2.12 0.00 0.00 175.29 174.89 3cm4 s THR 56 N 0.05 4.62 -0.23 -0.19 2.01 0.06 -4.88 115.64 117.09 3cm4 s THR 56 Ca -0.07 -0.81 -0.00 0.00 0.31 0.00 0.00 61.69 61.12 3cm4 s THR 56 Cb -0.14 -3.56 0.03 0.00 0.01 0.00 0.00 72.50 68.84 3cm4 s THR 56 CO 0.04 -0.22 -0.11 -1.00 -0.69 0.00 0.00 174.62 172.64 3cm4 s HIS 57 N 1.57 3.00 -0.43 4.92 3.76 -1.26 -3.20 115.29 123.64 3cm4 s HIS 57 Ca 0.02 -1.64 0.03 0.00 -0.15 0.00 0.00 55.06 53.32 3cm4 s HIS 57 Cb -0.19 -2.00 0.12 0.00 1.11 0.00 0.00 32.58 31.62 3cm4 s HIS 57 CO 0.07 -0.76 0.20 0.42 -0.85 0.00 0.00 174.74 173.82 3cm4 s ILE 58 N 1.30 1.84 0.38 0.60 1.01 -1.26 -4.66 121.20 120.40 3cm4 s ILE 58 Ca 0.01 -2.62 0.06 0.00 0.00 0.00 0.00 60.65 58.10 3cm4 s ILE 58 Cb -0.16 -2.30 0.28 0.00 0.01 0.00 0.00 42.46 40.29 3cm4 s ILE 58 CO -0.07 -0.79 2.01 -0.37 0.00 0.00 0.00 174.94 175.72 3cm4 h VAL 59 N 5.68 1.07 -0.60 2.92 -1.51 -1.96 -2.05 116.25 119.81 3cm4 h VAL 59 Ca -0.05 -0.23 -0.07 0.00 -1.23 0.00 0.00 66.70 65.11 3cm4 h VAL 59 Cb 0.94 0.33 -0.03 0.00 -2.13 0.00 0.00 31.29 30.41 3cm4 h VAL 59 CO 0.55 0.12 0.10 -0.33 -1.23 0.00 0.00 177.57 176.78 3cm4 h GLU 60 N 0.68 0.98 0.00 5.19 3.07 -1.96 -1.62 114.58 120.92 3cm4 h GLU 60 Ca 0.23 -0.24 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3cm4 h GLU 60 Cb 0.09 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3cm4 h GLU 60 CO -0.06 0.90 -0.47 -3.47 -1.40 0.00 0.00 179.01 174.51 3cm4 n ASP 61 N -4.23 0.48 -0.10 1.42 4.64 -0.80 -4.05 116.55 113.92 3cm4 n ASP 61 Ca 0.04 -0.10 -0.10 0.00 -1.38 0.00 0.00 54.79 53.25 3cm4 n ASP 61 Cb 0.28 0.16 -0.16 0.00 -1.04 0.00 0.00 41.12 40.35 3cm4 n ASP 61 CO 0.00 0.00 0.00 1.21 -0.82 0.00 0.00 177.20 177.59 3cm4 n GLU 62 N -1.62 0.69 -3.94 -0.67 2.13 -1.02 -4.59 120.64 111.61 3cm4 n GLU 62 Ca 0.05 0.01 -0.14 0.00 0.66 0.00 0.00 57.16 57.74 3cm4 n GLU 62 Cb 0.36 -1.54 -0.15 0.00 0.27 0.00 0.00 31.44 30.38 3cm4 n GLU 62 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 3cm4 s MET 63 N -2.50 0.15 0.75 5.31 -1.94 -0.63 -4.97 119.30 115.48 3cm4 s MET 63 Ca -0.10 -0.02 -0.06 0.00 -1.71 0.00 0.00 55.69 53.80 3cm4 s MET 63 Cb 0.06 -0.20 0.11 0.00 2.01 0.00 0.00 34.83 36.81 3cm4 s MET 63 CO 0.82 -0.01 1.05 -1.54 -0.01 0.00 0.00 175.02 175.33 3cm4 s SER 64 N 0.23 4.36 0.61 3.03 1.04 -1.26 -4.60 113.70 117.10 3cm4 s SER 64 Ca -0.02 0.11 0.33 0.00 0.48 0.00 0.00 55.95 56.85 3cm4 s SER 64 Cb -0.04 -0.57 1.94 0.00 0.10 0.00 0.00 66.02 67.45 3cm4 s SER 64 CO -0.01 -1.87 2.26 0.44 0.98 0.00 0.00 173.24 175.04 3cm4 h ASP 65 N -0.73 0.00 -0.68 7.02 3.32 -1.98 -0.97 116.42 122.40 3cm4 h ASP 65 Ca -0.42 0.00 0.18 0.00 0.02 0.00 0.00 57.03 56.81 3cm4 h ASP 65 Cb 1.28 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.80 3cm4 h ASP 65 CO 0.49 0.00 0.48 -0.33 -1.72 0.00 0.00 179.24 178.15 3cm4 h GLU 66 N 0.00 0.11 0.00 3.56 3.07 -2.02 -1.34 114.58 117.96 3cm4 h GLU 66 Ca 0.01 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3cm4 h GLU 66 Cb 0.07 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 3cm4 h GLU 66 CO -0.00 0.07 0.00 0.00 -1.40 0.00 0.00 179.01 177.68 3cm4 h ALA 67 N 1.67 1.00 0.00 3.43 0.00 -1.54 -1.93 119.26 121.88 3cm4 h ALA 67 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3cm4 h ALA 67 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3cm4 h ALA 67 CO -0.04 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.84 3cm4 n LYS 68 N -2.77 0.37 0.00 0.00 5.02 -0.50 -3.08 118.16 117.20 3cm4 n LYS 68 Ca -0.00 0.05 0.04 0.00 -2.02 0.00 0.00 58.31 56.38 3cm4 n LYS 68 Cb 0.20 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.73 3cm4 n LYS 68 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3cm4 n GLN 69 N -1.27 1.13 -4.72 1.97 1.13 -0.73 -4.80 117.38 110.10 3cm4 n GLN 69 Ca 0.12 -0.75 -0.33 0.00 -1.94 0.00 0.00 57.00 54.09 3cm4 n GLN 69 Cb 0.19 -1.08 -0.13 0.00 0.11 0.00 0.00 30.24 29.33 3cm4 n GLN 69 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 3cm4 s VAL 70 N -0.89 3.31 -0.15 5.09 -7.23 -1.18 -5.03 120.40 114.33 3cm4 s VAL 70 Ca 0.08 -0.59 -0.03 0.00 -1.81 0.00 0.00 61.98 59.62 3cm4 s VAL 70 Cb 0.06 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 3cm4 s VAL 70 CO 0.14 0.55 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.81 3cm4 s ILE 71 N -0.13 3.88 0.90 -0.62 1.01 -1.26 -1.15 121.20 123.83 3cm4 s ILE 71 Ca -0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 60.65 60.17 3cm4 s ILE 71 Cb -0.13 -2.69 0.13 0.00 0.01 0.00 0.00 42.46 39.78 3cm4 s ILE 71 CO 0.03 0.50 1.09 -2.84 0.00 0.00 0.00 174.94 173.73 3cm4 s PRO 72 N 0.27 1.23 0.25 2.79 0.02 -1.26 -4.95 135.00 133.35 3cm4 s PRO 72 Ca -0.03 0.77 -0.04 0.00 0.02 0.00 0.00 61.00 61.72 3cm4 s PRO 72 Cb -0.14 -1.81 0.29 0.00 0.02 0.00 0.00 34.50 32.86 3cm4 s PRO 72 CO 0.03 -2.25 1.77 0.78 -0.33 0.00 0.00 177.00 177.00 3cm4 h GLY 73 N -1.55 0.98 -3.74 0.52 0.00 -1.98 -3.12 103.07 94.19 3cm4 h GLY 73 Ca -0.50 -0.61 -0.38 0.00 0.00 0.00 0.00 47.33 45.84 3cm4 h GLY 73 CO 0.55 0.57 0.49 1.16 0.00 0.00 0.00 176.54 179.31 3cm4 n ASN 74 N -4.24 4.01 -3.98 0.19 2.04 -1.26 -4.97 115.26 107.05 3cm4 n ASN 74 Ca 0.04 -3.35 -0.10 0.00 -0.44 0.00 0.00 54.58 50.72 3cm4 n ASN 74 Cb 0.26 -0.78 -0.06 0.00 -2.53 0.00 0.00 39.78 36.67 3cm4 n ASN 74 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3cm4 s ALA 75 N -2.94 0.23 0.00 -2.53 0.00 -1.18 -4.67 121.76 110.67 3cm4 s ALA 75 Ca 0.52 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.32 3cm4 s ALA 75 Cb 0.43 1.16 0.00 0.00 0.00 0.00 0.00 23.12 24.71 3cm4 s ALA 75 CO 0.11 -0.78 0.34 -0.40 0.00 0.00 0.00 175.76 175.03 3cm4 n ASP 76 N -0.46 0.67 -4.65 0.00 5.75 -1.26 -4.67 116.55 111.93 3cm4 n ASP 76 Ca -0.00 -0.90 -0.30 0.00 -0.01 0.00 0.00 54.79 53.58 3cm4 n ASP 76 Cb 0.63 0.13 -0.09 0.00 -1.03 0.00 0.00 41.12 40.75 3cm4 n ASP 76 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3cm4 s VAL 77 N -0.13 1.52 0.56 2.12 -7.23 -1.26 -5.08 120.40 110.91 3cm4 s VAL 77 Ca 0.00 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.97 3cm4 s VAL 77 Cb 0.00 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 3cm4 s VAL 77 CO 0.00 0.00 1.23 -0.94 -0.31 0.00 0.00 175.10 175.08 3cm4 s SER 78 N -3.77 5.36 0.41 4.85 1.04 -1.26 -4.22 113.70 116.11 3cm4 s SER 78 Ca 0.22 2.46 0.11 0.00 0.48 0.00 0.00 55.95 59.21 3cm4 s SER 78 Cb 0.06 -2.61 0.92 0.00 0.10 0.00 0.00 66.02 64.49 3cm4 s SER 78 CO 0.11 -1.49 1.97 -0.29 0.98 0.00 0.00 173.24 174.53 3cm4 h ILE 79 N 1.16 0.94 -0.62 -1.02 6.09 -1.24 -1.76 117.51 121.05 3cm4 h ILE 79 Ca -0.50 -0.18 -0.01 0.00 -1.37 0.00 0.00 64.86 62.79 3cm4 h ILE 79 Cb 1.29 0.36 -0.03 0.00 0.47 0.00 0.00 36.82 38.91 3cm4 h ILE 79 CO 0.56 0.10 0.34 0.22 -3.07 0.00 0.00 178.15 176.30 3cm4 h TYR 80 N 0.54 0.86 -0.22 2.19 3.20 -1.80 -1.50 116.97 120.24 3cm4 h TYR 80 Ca 0.29 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 3cm4 h TYR 80 Cb 0.44 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3cm4 h TYR 80 CO -0.00 0.62 0.07 1.49 -1.64 0.00 0.00 178.16 178.70 3cm4 h GLU 81 N 0.85 0.33 -0.31 1.82 4.81 -1.65 -1.19 114.58 119.24 3cm4 h GLU 81 Ca 0.22 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 3cm4 h GLU 81 Cb 0.05 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 3cm4 h GLU 81 CO -0.03 0.41 0.12 0.82 -0.73 0.00 0.00 179.01 179.60 3cm4 h ILE 82 N 0.18 0.94 -0.21 2.32 2.04 -1.28 -0.43 117.51 121.09 3cm4 h ILE 82 Ca 0.07 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.73 3cm4 h ILE 82 Cb 0.21 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3cm4 h ILE 82 CO -0.00 0.05 -0.35 0.24 0.00 0.00 0.00 178.15 178.08 3cm4 h MET 83 N 0.27 0.44 -0.34 2.37 2.86 -1.22 -0.43 114.93 118.88 3cm4 h MET 83 Ca 0.13 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 3cm4 h MET 83 Cb 0.08 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3cm4 h MET 83 CO -0.12 0.74 0.01 1.49 1.06 0.00 0.00 176.91 180.08 3cm4 h GLU 84 N 0.37 0.60 -0.92 1.72 4.81 -0.98 -1.31 114.58 118.88 3cm4 h GLU 84 Ca 0.04 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 3cm4 h GLU 84 Cb 0.80 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.08 3cm4 h GLU 84 CO 0.06 0.72 0.53 -0.09 -0.73 0.00 0.00 179.01 179.50 3cm4 h ARG 85 N 0.41 1.27 0.00 1.92 2.43 -0.91 -3.33 114.38 116.18 3cm4 h ARG 85 Ca 0.10 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 3cm4 h ARG 85 Cb 0.44 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3cm4 h ARG 85 CO 0.02 0.91 -1.72 0.00 -1.51 0.00 0.00 179.97 177.67 3cm4 s ALA 87 N -3.38 3.60 0.11 0.00 0.00 -0.50 -2.63 121.76 118.96 3cm4 s ALA 87 Ca -0.06 1.19 -0.23 0.00 0.00 0.00 0.00 51.96 52.87 3cm4 s ALA 87 Cb 0.12 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 3cm4 s ALA 87 CO 0.87 -0.64 0.69 -0.51 0.00 0.00 0.00 175.76 176.16 3cm4 s LEU 88 N 0.41 4.55 1.02 0.00 1.43 -1.26 -4.83 118.68 120.00 3cm4 s LEU 88 Ca 0.62 1.46 -0.16 0.00 -1.03 0.00 0.00 54.13 55.01 3cm4 s LEU 88 Cb -0.39 -3.12 0.21 0.00 0.03 0.00 0.00 46.19 42.93 3cm4 s LEU 88 CO 0.36 0.22 1.23 0.54 0.23 0.00 0.00 176.35 178.92 3cm4 s ASN 89 N -1.00 2.55 0.14 2.29 6.03 -1.26 -4.75 114.94 118.94 3cm4 s ASN 89 Ca 0.33 0.48 -0.17 0.00 -1.03 0.00 0.00 52.86 52.47 3cm4 s ASN 89 Cb -0.21 -0.66 -0.00 0.00 -3.03 0.00 0.00 41.25 37.34 3cm4 s ASN 89 CO 0.23 -3.10 1.78 -0.08 -2.03 0.00 0.00 177.10 173.90 3cm4 h GLU 90 N -1.89 0.50 -0.89 3.55 4.81 -1.98 -1.36 114.58 117.32 3cm4 h GLU 90 Ca -0.45 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 58.77 3cm4 h GLU 90 Cb 1.27 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 3cm4 h GLU 90 CO 0.41 0.36 0.58 0.93 -0.73 0.00 0.00 179.01 180.56 3cm4 h GLU 91 N 0.49 1.10 -0.20 1.92 5.08 -2.00 -1.72 114.58 119.25 3cm4 h GLU 91 Ca 0.13 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 58.22 3cm4 h GLU 91 Cb -0.01 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 28.99 3cm4 h GLU 91 CO -0.03 0.73 -0.68 -0.44 -1.00 0.00 0.00 179.01 177.59 3cm4 h ASP 92 N 1.13 0.89 -0.29 1.42 5.19 -1.86 -2.56 116.42 120.35 3cm4 h ASP 92 Ca 0.35 -0.54 -0.09 0.00 -0.62 0.00 0.00 57.03 56.13 3cm4 h ASP 92 Cb -0.01 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.22 3cm4 h ASP 92 CO -0.11 1.33 -0.13 -0.08 -3.12 0.00 0.00 179.24 177.13 3cm4 h GLU 93 N 0.56 0.71 -0.60 3.56 4.81 -1.02 0.00 114.58 122.60 3cm4 h GLU 93 Ca -0.02 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 3cm4 h GLU 93 Cb 1.29 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 3cm4 h GLU 93 CO 0.14 0.81 0.32 0.82 -0.73 0.00 0.00 179.01 180.37 3cm4 h ILE 94 N 0.64 1.20 -0.78 2.32 2.04 -1.30 -0.30 117.51 121.33 3cm4 h ILE 94 Ca 0.11 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 3cm4 h ILE 94 Cb 0.59 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 3cm4 h ILE 94 CO 0.04 0.22 0.47 0.11 0.00 0.00 0.00 178.15 178.98 3cm4 h LYS 95 N 0.81 1.05 -0.33 2.37 1.57 -1.09 -1.67 116.57 119.29 3cm4 h LYS 95 Ca 0.21 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3cm4 h LYS 95 Cb 0.05 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3cm4 h LYS 95 CO -0.03 0.73 0.10 1.25 -0.57 0.00 0.00 179.45 180.93 3cm4 h LEU 96 N 1.07 0.48 -0.47 2.94 5.85 -0.41 -1.50 115.31 123.27 3cm4 h LEU 96 Ca 0.28 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3cm4 h LEU 96 Cb -0.05 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3cm4 h LEU 96 CO -0.05 0.55 0.30 0.50 -0.34 0.00 0.00 178.44 179.40 3cm4 h LYS 97 N 0.37 0.59 -0.86 1.25 3.64 -0.89 -1.67 116.57 119.01 3cm4 h LYS 97 Ca 0.11 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3cm4 h LYS 97 Cb 0.25 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 3cm4 h LYS 97 CO -0.00 0.39 0.55 1.49 -2.27 0.00 0.00 179.45 179.61 3cm4 h GLU 98 N 0.61 1.14 -0.28 1.90 4.22 -1.20 -2.04 114.58 118.93 3cm4 h GLU 98 Ca 0.18 -0.08 -0.05 0.00 0.08 0.00 0.00 59.36 59.49 3cm4 h GLU 98 Cb -0.04 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.95 3cm4 h GLU 98 CO -0.05 0.77 -0.01 -0.92 -2.18 0.00 0.00 179.01 176.61 3cm4 h TYR 99 N 1.17 0.56 -0.59 0.92 5.03 -0.96 0.18 116.97 123.28 3cm4 h TYR 99 Ca 0.31 -0.10 0.04 0.00 2.58 0.00 0.00 58.73 61.56 3cm4 h TYR 99 Cb -0.11 -0.14 -0.05 0.00 1.55 0.00 0.00 36.73 37.98 3cm4 h TYR 99 CO -0.01 0.67 0.33 0.28 -1.32 0.00 0.00 178.16 178.11 3cm4 h VAL 100 N 0.29 1.00 0.00 1.81 2.07 -1.15 -1.95 116.25 118.32 3cm4 h VAL 100 Ca 0.08 -0.22 -0.11 0.00 0.82 0.00 0.00 66.70 67.27 3cm4 h VAL 100 Cb 0.45 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3cm4 h VAL 100 CO 0.02 0.12 -0.51 -0.33 0.02 0.00 0.00 177.57 176.88 3cm4 h GLU 101 N 0.63 0.00 0.00 1.57 5.08 -1.21 -2.32 114.58 118.33 3cm4 h GLU 101 Ca 0.25 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3cm4 h GLU 101 Cb 0.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3cm4 h GLU 101 CO -0.14 0.51 -0.02 0.66 -1.00 0.00 0.00 179.01 179.01 3cm4 h SER 102 N 0.00 0.00 -0.50 1.42 4.64 0.13 -2.07 113.55 117.17 3cm4 h SER 102 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3cm4 h SER 102 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3cm4 h SER 102 CO 0.07 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.34 3cm4 n LYS 103 N -3.20 2.44 -0.68 4.77 4.76 -0.91 -4.94 118.16 120.40 3cm4 n LYS 103 Ca -0.02 -2.20 0.00 0.00 -2.87 0.00 0.00 58.31 53.22 3cm4 n LYS 103 Cb 0.18 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 3cm4 n LYS 103 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cm4 n GLY 104 N 1.49 0.67 3.83 0.72 0.00 -0.78 -5.02 105.19 106.11 3cm4 n GLY 104 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 3cm4 n GLY 104 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3cm4 s MET 105 N -0.32 2.90 -0.04 1.61 -1.94 -1.01 -5.02 119.30 115.49 3cm4 s MET 105 Ca 0.00 -1.10 -0.17 0.00 -1.71 0.00 0.00 55.69 52.71 3cm4 s MET 105 Cb 0.00 -2.55 -0.05 0.00 2.01 0.00 0.00 34.83 34.23 3cm4 s MET 105 CO 0.00 0.34 0.47 0.42 -0.01 0.00 0.00 175.02 176.24 3cm4 s ILE 106 N -2.17 5.04 -0.25 2.53 1.01 -0.37 -3.81 121.20 123.18 3cm4 s ILE 106 Ca 0.35 0.97 -0.08 0.00 0.00 0.00 0.00 60.65 61.88 3cm4 s ILE 106 Cb -0.07 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 3cm4 s ILE 106 CO 0.25 0.46 0.09 0.12 0.00 0.00 0.00 174.94 175.87 3cm4 s PHE 107 N -0.31 3.12 0.37 3.97 5.36 -1.26 -1.12 117.98 128.10 3cm4 s PHE 107 Ca 0.26 -0.30 0.05 0.00 -0.96 0.00 0.00 56.93 55.98 3cm4 s PHE 107 Cb -0.17 -2.26 -0.07 0.00 -0.34 0.00 0.00 43.02 40.19 3cm4 s PHE 107 CO 0.13 -0.30 0.04 0.96 -1.46 0.00 0.00 175.22 174.59 3cm4 s ILE 108 N 1.60 1.48 0.12 3.12 -4.36 -0.78 -4.46 121.20 117.92 3cm4 s ILE 108 Ca 0.06 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.31 3cm4 s ILE 108 Cb -0.15 -2.83 0.03 0.00 1.25 0.00 0.00 42.46 40.76 3cm4 s ILE 108 CO 0.05 0.00 0.37 -0.55 0.24 0.00 0.00 174.94 175.05 3cm4 s SER 109 N -3.60 -0.17 -0.33 4.36 0.15 -1.26 -1.39 113.70 111.46 3cm4 s SER 109 Ca 0.34 -0.39 -0.11 0.00 0.70 0.00 0.00 55.95 56.49 3cm4 s SER 109 Cb 0.09 0.46 -0.00 0.00 -1.71 0.00 0.00 66.02 64.85 3cm4 s SER 109 CO 0.16 -0.84 0.19 -0.89 1.20 0.00 0.00 173.24 173.05 3cm4 s THR 110 N -3.82 4.79 0.15 6.45 2.01 -0.90 -2.38 115.64 121.93 3cm4 s THR 110 Ca 0.04 -0.44 -0.29 0.00 0.31 0.00 0.00 61.69 61.32 3cm4 s THR 110 Cb 0.02 -3.48 -0.07 0.00 0.01 0.00 0.00 72.50 68.98 3cm4 s THR 110 CO -0.11 -0.00 0.90 -2.16 -0.69 0.00 0.00 174.62 172.56 3cm4 s PRO 111 N 1.63 4.70 0.00 4.92 0.04 -1.25 -0.76 135.00 144.28 3cm4 s PRO 111 Ca 0.05 1.37 0.14 0.00 0.04 0.00 0.00 61.00 62.60 3cm4 s PRO 111 Cb -0.17 -3.33 0.30 0.00 0.04 0.00 0.00 34.50 31.33 3cm4 s PRO 111 CO 0.07 0.36 1.20 1.19 0.04 0.00 0.00 177.00 179.87 3cm4 n PHE 112 N 2.24 0.38 -3.68 0.56 3.01 -1.20 -4.77 117.46 114.01 3cm4 n PHE 112 Ca -0.01 -0.31 -0.10 0.00 1.01 0.00 0.00 57.45 58.05 3cm4 n PHE 112 Cb 0.49 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.91 3cm4 n PHE 112 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3cm4 s SER 113 N -1.09 -0.34 0.16 4.37 1.04 -1.26 -4.69 113.70 111.88 3cm4 s SER 113 Ca 0.26 -0.39 -0.16 0.00 0.48 0.00 0.00 55.95 56.14 3cm4 s SER 113 Cb 0.15 0.62 0.08 0.00 0.10 0.00 0.00 66.02 66.96 3cm4 s SER 113 CO 0.20 -1.09 1.73 -0.09 0.98 0.00 0.00 173.24 174.97 3cm4 h ARG 114 N 2.11 0.21 -0.81 4.02 2.43 -1.95 -2.00 114.38 118.38 3cm4 h ARG 114 Ca -0.28 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.91 3cm4 h ARG 114 Cb 1.27 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.73 3cm4 h ARG 114 CO 0.34 0.14 0.53 0.00 -1.51 0.00 0.00 179.97 179.48 3cm4 h ALA 115 N 1.27 1.51 -0.43 2.80 0.00 -1.95 -1.59 119.26 120.87 3cm4 h ALA 115 Ca 0.17 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3cm4 h ALA 115 Cb 0.19 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3cm4 h ALA 115 CO -0.22 0.40 -0.17 0.00 0.00 0.00 0.00 179.25 179.27 3cm4 h ALA 116 N 1.53 0.88 -0.52 0.00 0.00 -1.81 -2.23 119.26 117.11 3cm4 h ALA 116 Ca 0.32 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3cm4 h ALA 116 Cb 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3cm4 h ALA 116 CO -0.10 0.63 -0.11 0.00 0.00 0.00 0.00 179.25 179.68 3cm4 h ALA 117 N 1.07 0.71 -0.18 0.00 0.00 -0.78 -1.79 119.26 118.30 3cm4 h ALA 117 Ca 0.11 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 3cm4 h ALA 117 Cb 0.68 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3cm4 h ALA 117 CO 0.05 0.62 -0.31 -0.07 0.00 0.00 0.00 179.25 179.54 3cm4 h LEU 118 N 0.85 0.36 -0.16 0.00 3.38 -1.24 -0.79 115.31 117.72 3cm4 h LEU 118 Ca 0.13 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3cm4 h LEU 118 Cb 0.67 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3cm4 h LEU 118 CO 0.05 0.67 -0.03 -0.09 0.09 0.00 0.00 178.44 179.12 3cm4 h ARG 119 N 0.31 0.31 -0.41 1.13 2.43 -1.23 -1.56 114.38 115.35 3cm4 h ARG 119 Ca 0.04 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 3cm4 h ARG 119 Cb 0.71 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 3cm4 h ARG 119 CO 0.05 0.58 0.17 -0.07 -1.51 0.00 0.00 179.97 179.19 3cm4 h LEU 120 N 0.01 0.53 -0.54 3.80 3.38 -1.19 -0.80 115.31 120.50 3cm4 h LEU 120 Ca 0.04 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3cm4 h LEU 120 Cb 0.46 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3cm4 h LEU 120 CO 0.02 0.48 0.07 -0.61 0.09 0.00 0.00 178.44 178.49 3cm4 h GLN 121 N 0.59 0.91 -0.90 1.13 4.15 -1.03 0.24 115.11 120.20 3cm4 h GLN 121 Ca 0.14 -0.25 0.01 0.00 0.77 0.00 0.00 58.65 59.32 3cm4 h GLN 121 Cb 0.12 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 3cm4 h GLN 121 CO -0.01 0.89 0.58 0.00 -1.93 0.00 0.00 178.83 178.36 3cm4 h ARG 122 N 0.80 1.19 0.00 1.69 3.08 -0.65 -1.76 114.38 118.72 3cm4 h ARG 122 Ca 0.16 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3cm4 h ARG 122 Cb 0.44 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3cm4 h ARG 122 CO 0.01 0.80 0.00 0.52 -1.07 0.00 0.00 179.97 180.23 3cm4 h MET 123 N 1.22 0.00 -4.90 0.04 2.86 -0.88 -3.48 114.93 109.80 3cm4 h MET 123 Ca 0.33 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.72 3cm4 h MET 123 Cb -0.12 0.00 0.14 0.00 0.06 0.00 0.00 31.60 31.68 3cm4 h MET 123 CO -0.07 0.00 -0.62 -3.47 1.06 0.00 0.00 176.91 173.81 3cm4 n ASP 124 N -2.83 -2.75 -4.78 1.22 4.64 0.05 -4.99 116.55 107.11 3cm4 n ASP 124 Ca 0.02 -0.50 -0.37 0.00 -1.38 0.00 0.00 54.79 52.56 3cm4 n ASP 124 Cb 0.35 -4.17 -0.03 0.00 -1.04 0.00 0.00 41.12 36.22 3cm4 n ASP 124 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3cm4 s ILE 125 N -3.29 3.49 -0.31 5.18 -4.36 -1.12 -4.95 121.20 115.85 3cm4 s ILE 125 Ca 0.07 1.18 0.28 0.00 -0.26 0.00 0.00 60.65 61.92 3cm4 s ILE 125 Cb -0.01 -3.63 0.32 0.00 1.25 0.00 0.00 42.46 40.40 3cm4 s ILE 125 CO 0.58 0.04 1.80 1.55 0.24 0.00 0.00 174.94 179.15 3cm4 h PRO 126 N 2.52 0.00 -2.76 0.37 0.13 -1.94 -3.46 132.00 126.87 3cm4 h PRO 126 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 3cm4 h PRO 126 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 3cm4 h PRO 126 CO 0.62 0.00 0.18 0.00 -0.23 0.00 0.00 178.00 178.57 3cm4 s ALA 127 N -3.39 -1.60 -0.09 -0.56 0.00 -1.26 -4.21 121.76 110.65 3cm4 s ALA 127 Ca 0.05 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.72 3cm4 s ALA 127 Cb 0.09 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 3cm4 s ALA 127 CO 0.53 -0.65 -0.22 0.71 0.00 0.00 0.00 175.76 176.13 3cm4 s TYR 128 N -3.03 2.59 -0.02 0.00 1.51 -0.55 -4.40 117.35 113.44 3cm4 s TYR 128 Ca -0.02 -0.85 -0.15 0.00 -1.01 0.00 0.00 57.07 55.04 3cm4 s TYR 128 Cb -0.01 -1.71 -0.05 0.00 -0.11 0.00 0.00 41.96 40.08 3cm4 s TYR 128 CO -0.07 -0.30 0.41 0.21 -1.11 0.00 0.00 175.55 174.69 3cm4 s LYS 129 N 0.17 3.97 -0.16 -0.62 2.47 -1.00 -0.78 119.74 123.78 3cm4 s LYS 129 Ca -0.12 0.39 0.02 0.00 -1.56 0.00 0.00 55.97 54.70 3cm4 s LYS 129 Cb -0.16 -3.25 0.02 0.00 -1.46 0.00 0.00 37.83 32.97 3cm4 s LYS 129 CO 0.07 0.62 -0.21 0.42 0.16 0.00 0.00 175.35 176.41 3cm4 s ILE 130 N -0.83 2.05 0.86 5.43 1.01 -0.33 -3.85 121.20 125.54 3cm4 s ILE 130 Ca 0.23 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.82 3cm4 s ILE 130 Cb -0.16 -1.84 0.11 0.00 0.01 0.00 0.00 42.46 40.58 3cm4 s ILE 130 CO 0.12 0.54 1.10 -0.83 0.00 0.00 0.00 174.94 175.88 3cm4 s GLY 131 N 1.11 1.61 0.51 6.18 0.00 -1.26 -1.22 107.32 114.24 3cm4 s GLY 131 Ca 0.00 -0.26 0.22 0.00 0.00 0.00 0.00 44.72 44.68 3cm4 s GLY 131 CO -0.09 0.22 2.09 1.76 0.00 0.00 0.00 173.10 177.09 3cm4 h SER 132 N -1.35 0.00 0.28 1.64 0.02 -1.88 -1.62 113.55 110.64 3cm4 h SER 132 Ca -0.49 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.40 3cm4 h SER 132 Cb 1.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 3cm4 h SER 132 CO 0.59 0.10 -0.28 1.23 -1.14 0.00 0.00 176.83 177.33 3cm4 h GLY 133 N 0.46 0.01 -1.98 -3.77 0.00 -1.91 -2.96 103.07 92.92 3cm4 h GLY 133 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3cm4 h GLY 133 CO 0.01 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.74 3cm4 n GLU 134 N -4.20 2.32 -0.04 4.80 4.71 -0.65 -4.41 120.64 123.16 3cm4 n GLU 134 Ca -0.02 -2.13 0.12 0.00 -0.01 0.00 0.00 57.16 55.12 3cm4 n GLU 134 Cb 0.33 -1.44 0.53 0.00 -1.01 0.00 0.00 31.44 29.86 3cm4 n GLU 134 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3cm4 n ASN 136 N -4.46 3.27 -4.34 0.00 2.04 -1.26 -4.72 115.26 105.79 3cm4 n ASN 136 Ca 0.08 -1.93 -0.43 0.00 -0.44 0.00 0.00 54.58 51.86 3cm4 n ASN 136 Cb 0.36 -0.26 0.00 0.00 -2.53 0.00 0.00 39.78 37.35 3cm4 n ASN 136 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 3cm4 n ASN 137 N 1.23 4.81 -0.37 0.53 4.05 -0.63 -4.85 115.26 120.03 3cm4 n ASN 137 Ca 0.17 -2.93 -0.02 0.00 0.45 0.00 0.00 54.58 52.25 3cm4 n ASN 137 Cb 0.54 -1.67 0.11 0.00 1.23 0.00 0.00 39.78 39.99 3cm4 n ASN 137 CO 0.00 0.00 0.00 1.88 -3.05 0.00 0.00 177.26 176.09 3cm4 h TYR 138 N 7.03 1.24 -0.60 1.20 0.05 -1.84 -1.35 116.97 122.69 3cm4 h TYR 138 Ca 0.44 0.03 0.08 0.00 0.05 0.00 0.00 58.73 59.33 3cm4 h TYR 138 Cb 0.81 -0.42 -0.06 0.00 1.01 0.00 0.00 36.73 38.07 3cm4 h TYR 138 CO 1.35 0.76 0.26 -1.35 -1.05 0.00 0.00 178.16 178.13 3cm4 h PRO 139 N 1.32 0.46 -0.38 4.88 0.11 -1.98 -0.45 132.00 135.96 3cm4 h PRO 139 Ca 0.37 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.41 3cm4 h PRO 139 Cb -0.12 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 30.87 3cm4 h PRO 139 CO -0.09 0.30 0.09 1.25 -0.21 0.00 0.00 178.00 179.35 3cm4 h LEU 140 N 0.47 0.58 -0.50 2.35 5.85 -1.80 -2.28 115.31 119.99 3cm4 h LEU 140 Ca 0.29 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3cm4 h LEU 140 Cb 0.31 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3cm4 h LEU 140 CO -0.26 0.66 0.32 0.40 -0.34 0.00 0.00 178.44 179.22 3cm4 h ILE 141 N 0.48 1.14 -0.54 4.05 2.04 -1.12 0.39 117.51 123.95 3cm4 h ILE 141 Ca 0.12 -0.27 0.08 0.00 1.00 0.00 0.00 64.86 65.78 3cm4 h ILE 141 Cb 0.31 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 3cm4 h ILE 141 CO 0.00 0.14 0.18 0.11 0.00 0.00 0.00 178.15 178.58 3cm4 h LYS 142 N 0.67 0.35 0.33 2.37 1.57 -1.03 0.39 116.57 121.22 3cm4 h LYS 142 Ca 0.18 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3cm4 h LYS 142 Cb -0.05 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3cm4 h LYS 142 CO -0.04 0.23 -0.16 1.25 -0.57 0.00 0.00 179.45 180.16 3cm4 h LEU 143 N 0.36 -0.38 -0.48 2.94 5.85 -0.79 -2.38 115.31 120.43 3cm4 h LEU 143 Ca 0.26 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.94 3cm4 h LEU 143 Cb 0.31 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 3cm4 h LEU 143 CO -0.28 -0.13 0.21 0.58 -0.34 0.00 0.00 178.44 178.49 3cm4 h VAL 144 N -0.62 0.92 -0.33 1.05 2.07 -0.74 -2.18 116.25 116.42 3cm4 h VAL 144 Ca -0.05 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.36 3cm4 h VAL 144 Cb 0.45 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3cm4 h VAL 144 CO 0.08 0.08 0.22 0.00 0.02 0.00 0.00 177.57 177.96 3cm4 h ALA 145 N 1.28 1.91 0.00 1.67 0.00 -0.15 -0.80 119.26 123.17 3cm4 h ALA 145 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3cm4 h ALA 145 Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3cm4 h ALA 145 CO -0.18 0.04 0.00 -1.13 0.00 0.00 0.00 179.25 177.99 3cm4 n SER 146 N -4.49 0.15 0.25 0.00 3.41 -0.82 -2.37 113.62 109.75 3cm4 n SER 146 Ca 0.03 0.55 0.15 0.00 -0.26 0.00 0.00 58.87 59.33 3cm4 n SER 146 Cb 0.17 -0.57 0.47 0.00 -0.26 0.00 0.00 64.21 64.01 3cm4 n SER 146 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3cm4 h PHE 147 N 0.00 0.00 0.00 7.33 0.05 -1.17 -3.47 116.94 119.68 3cm4 h PHE 147 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3cm4 h PHE 147 Cb 0.19 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.14 3cm4 h PHE 147 CO 0.00 0.01 0.00 0.41 -0.18 0.00 0.00 178.31 178.55 3cm4 n GLY 148 N 0.48 0.56 3.68 -1.45 0.00 -1.00 -5.07 105.19 102.39 3cm4 n GLY 148 Ca 0.02 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 3cm4 n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cm4 s LYS 149 N -1.09 2.45 0.71 1.61 -0.14 -1.26 -4.98 119.74 117.03 3cm4 s LYS 149 Ca 0.00 -1.11 -0.16 0.00 -1.36 0.00 0.00 55.97 53.34 3cm4 s LYS 149 Cb 0.00 -2.37 0.01 0.00 -1.68 0.00 0.00 37.83 33.79 3cm4 s LYS 149 CO 0.00 0.45 1.14 -2.30 -0.76 0.00 0.00 175.35 173.88 3cm4 n PRO 150 N -0.21 0.68 -5.12 -1.68 -0.02 -1.26 -4.76 135.00 122.63 3cm4 n PRO 150 Ca -0.09 0.29 -0.29 0.00 -2.02 0.00 0.00 63.50 61.39 3cm4 n PRO 150 Cb 0.55 -2.38 -0.16 0.00 -0.02 0.00 0.00 33.50 31.49 3cm4 n PRO 150 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3cm4 s ILE 151 N -1.71 1.81 -0.28 4.25 1.01 -0.81 -1.48 121.20 124.00 3cm4 s ILE 151 Ca 0.77 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 3cm4 s ILE 151 Cb -0.35 -1.52 0.04 0.00 0.01 0.00 0.00 42.46 40.64 3cm4 s ILE 151 CO 0.46 0.51 -0.03 -0.63 0.00 0.00 0.00 174.94 175.25 3cm4 s ILE 152 N -0.33 2.87 -0.25 2.92 1.01 0.04 -0.96 121.20 126.50 3cm4 s ILE 152 Ca 0.03 -1.28 -0.05 0.00 0.00 0.00 0.00 60.65 59.35 3cm4 s ILE 152 Cb -0.11 -2.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.78 3cm4 s ILE 152 CO 0.01 0.01 0.01 -0.22 0.00 0.00 0.00 174.94 174.75 3cm4 s LEU 153 N 1.26 3.27 0.46 2.97 2.96 -0.24 -1.19 118.68 128.17 3cm4 s LEU 153 Ca -0.04 -0.51 -0.22 0.00 -0.22 0.00 0.00 54.13 53.14 3cm4 s LEU 153 Cb -0.19 -1.80 -0.08 0.00 0.50 0.00 0.00 46.19 44.62 3cm4 s LEU 153 CO -0.03 -0.08 1.06 -0.44 -1.32 0.00 0.00 176.35 175.54 3cm4 s SER 154 N 1.49 6.43 -0.04 3.68 0.01 -0.36 -0.48 113.70 124.42 3cm4 s SER 154 Ca 0.04 2.02 0.06 0.00 1.31 0.00 0.00 55.95 59.38 3cm4 s SER 154 Cb -0.15 -2.57 0.09 0.00 0.21 0.00 0.00 66.02 63.59 3cm4 s SER 154 CO -0.01 -0.72 0.96 0.35 0.41 0.00 0.00 173.24 174.23 3cm4 n THR 155 N -0.63 0.94 -1.22 1.44 -2.24 -0.54 -4.26 114.28 107.77 3cm4 n THR 155 Ca 0.08 -1.07 -0.33 0.00 -2.27 0.00 0.00 64.05 60.46 3cm4 n THR 155 Cb 0.51 0.35 0.11 0.00 -2.10 0.00 0.00 70.33 69.20 3cm4 n THR 155 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3cm4 s GLY 156 N -1.43 2.07 0.00 3.38 0.00 -1.25 -3.15 107.32 106.94 3cm4 s GLY 156 Ca 0.10 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.53 3cm4 s GLY 156 CO 0.01 1.11 0.00 1.03 0.00 0.00 0.00 173.10 175.25 3cm4 n MET 157 N -3.22 -0.96 -4.42 2.90 2.81 -1.26 -4.77 117.12 108.20 3cm4 n MET 157 Ca 0.12 0.24 -0.20 0.00 -1.81 0.00 0.00 57.70 56.06 3cm4 n MET 157 Cb 0.51 -4.16 -0.14 0.00 -0.71 0.00 0.00 33.22 28.72 3cm4 n MET 157 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3cm4 s ASN 158 N -2.09 1.35 0.62 7.83 0.01 -1.19 -5.10 114.94 116.37 3cm4 s ASN 158 Ca 0.00 -0.28 -0.11 0.00 -0.71 0.00 0.00 52.86 51.76 3cm4 s ASN 158 Cb 0.00 -0.12 -0.04 0.00 0.41 0.00 0.00 41.25 41.50 3cm4 s ASN 158 CO 0.00 0.09 1.03 -0.94 -1.51 0.00 0.00 177.10 175.77 3cm4 s SER 159 N -0.55 6.22 0.22 -1.22 1.04 -1.26 -4.88 113.70 113.26 3cm4 s SER 159 Ca 0.03 1.42 -0.08 0.00 0.48 0.00 0.00 55.95 57.80 3cm4 s SER 159 Cb -0.05 -2.47 0.33 0.00 0.10 0.00 0.00 66.02 63.93 3cm4 s SER 159 CO 0.00 -0.88 1.73 0.40 0.98 0.00 0.00 173.24 175.47 3cm4 h ILE 160 N -0.33 0.71 -0.57 -1.02 1.08 -1.98 0.63 117.51 116.03 3cm4 h ILE 160 Ca -0.44 -0.14 0.12 0.00 -0.39 0.00 0.00 64.86 64.01 3cm4 h ILE 160 Cb 1.19 0.29 -0.10 0.00 -3.07 0.00 0.00 36.82 35.13 3cm4 h ILE 160 CO 0.62 0.07 -0.01 -0.08 -0.69 0.00 0.00 178.15 178.06 3cm4 h GLU 161 N 0.39 0.11 0.01 2.37 4.81 -2.00 0.71 114.58 120.98 3cm4 h GLU 161 Ca 0.34 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.37 3cm4 h GLU 161 Cb 0.47 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 3cm4 h GLU 161 CO -0.35 0.07 -0.91 0.66 -0.73 0.00 0.00 179.01 177.75 3cm4 h SER 162 N 0.11 0.06 -0.28 1.04 4.64 -1.71 -2.92 113.55 114.49 3cm4 h SER 162 Ca 0.30 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.51 3cm4 h SER 162 Cb 0.47 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 3cm4 h SER 162 CO -0.49 0.93 0.02 0.40 -0.87 0.00 0.00 176.83 176.82 3cm4 h ILE 163 N 0.02 1.21 -0.78 0.95 2.04 -0.36 -3.00 117.51 117.58 3cm4 h ILE 163 Ca -0.02 -0.81 0.16 0.00 1.00 0.00 0.00 64.86 65.19 3cm4 h ILE 163 Cb 1.58 0.90 -0.10 0.00 -0.74 0.00 0.00 36.82 38.46 3cm4 h ILE 163 CO 0.12 0.28 0.30 0.50 0.00 0.00 0.00 178.15 179.35 3cm4 h LYS 164 N 0.57 0.39 -0.63 2.37 3.64 -0.67 -1.16 116.57 121.09 3cm4 h LYS 164 Ca 0.12 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3cm4 h LYS 164 Cb 0.33 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3cm4 h LYS 164 CO 0.01 0.26 0.17 0.87 -2.27 0.00 0.00 179.45 178.49 3cm4 h LYS 165 N 0.41 0.97 -0.22 1.90 1.57 -1.62 -0.39 116.57 119.19 3cm4 h LYS 165 Ca 0.44 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 3cm4 h LYS 165 Cb 0.73 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3cm4 h LYS 165 CO -0.45 0.85 0.05 0.77 -0.57 0.00 0.00 179.45 180.10 3cm4 h SER 166 N 0.93 0.33 -0.63 0.86 0.02 -1.36 -2.74 113.55 110.96 3cm4 h SER 166 Ca 0.20 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 3cm4 h SER 166 Cb 0.31 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 3cm4 h SER 166 CO -0.00 0.48 0.33 0.58 -1.14 0.00 0.00 176.83 177.07 3cm4 h VAL 167 N 0.17 1.21 -0.56 2.27 2.07 -0.99 -1.82 116.25 118.59 3cm4 h VAL 167 Ca 0.07 -0.55 0.11 0.00 0.82 0.00 0.00 66.70 67.16 3cm4 h VAL 167 Cb 0.28 0.41 -0.10 0.00 -1.52 0.00 0.00 31.29 30.35 3cm4 h VAL 167 CO 0.00 0.23 -0.11 -0.33 0.02 0.00 0.00 177.57 177.38 3cm4 h GLU 168 N 0.86 0.02 -0.48 1.57 5.08 -1.05 0.28 114.58 120.86 3cm4 h GLU 168 Ca 0.22 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 3cm4 h GLU 168 Cb 0.07 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3cm4 h GLU 168 CO -0.03 0.01 0.22 0.82 -1.00 0.00 0.00 179.01 179.03 3cm4 h ILE 169 N 0.02 1.20 0.19 3.13 2.04 -1.12 -1.08 117.51 121.88 3cm4 h ILE 169 Ca 0.27 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 3cm4 h ILE 169 Cb 0.42 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3cm4 h ILE 169 CO -0.56 0.22 -0.09 0.40 0.00 0.00 0.00 178.15 178.12 3cm4 h ILE 170 N 0.63 0.85 -0.89 -0.67 2.04 -0.77 -1.97 117.51 116.73 3cm4 h ILE 170 Ca 0.16 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.91 3cm4 h ILE 170 Cb 0.15 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 3cm4 h ILE 170 CO -0.02 0.03 0.58 0.03 0.00 0.00 0.00 178.15 178.78 3cm4 h ARG 171 N -0.32 1.08 -0.52 2.37 3.08 -0.37 -1.36 114.38 118.33 3cm4 h ARG 171 Ca -0.03 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 3cm4 h ARG 171 Cb 0.25 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3cm4 h ARG 171 CO 0.04 0.71 -0.03 1.49 -1.07 0.00 0.00 179.97 181.12 3cm4 h GLU 172 N 1.11 0.91 0.00 0.04 4.57 -0.96 -1.15 114.58 119.10 3cm4 h GLU 172 Ca 0.35 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 3cm4 h GLU 172 Cb 0.02 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.52 3cm4 h GLU 172 CO -0.10 0.92 -0.05 0.00 -1.18 0.00 0.00 179.01 178.59 3cm4 h ALA 173 N 1.13 1.01 -1.83 2.92 0.00 -0.79 -3.47 119.26 118.22 3cm4 h ALA 173 Ca 0.15 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3cm4 h ALA 173 Cb 0.53 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.34 3cm4 h ALA 173 CO 0.03 0.06 -0.14 0.41 0.00 0.00 0.00 179.25 179.61 3cm4 n GLY 174 N 0.11 0.55 3.65 0.00 0.00 -0.44 -4.98 105.19 104.08 3cm4 n GLY 174 Ca 0.01 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 3cm4 n GLY 174 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cm4 s VAL 175 N -2.93 3.83 0.60 1.61 -7.23 -1.20 -5.06 120.40 110.02 3cm4 s VAL 175 Ca 0.11 -0.98 -0.15 0.00 -1.81 0.00 0.00 61.98 59.15 3cm4 s VAL 175 Cb -0.05 -2.78 -0.03 0.00 0.56 0.00 0.00 36.38 34.08 3cm4 s VAL 175 CO 0.13 0.19 1.05 -2.16 -0.31 0.00 0.00 175.10 174.00 3cm4 s PRO 176 N -2.07 3.31 0.06 4.82 0.04 -1.26 -4.66 135.00 135.23 3cm4 s PRO 176 Ca 0.23 1.14 -0.07 0.00 0.04 0.00 0.00 61.00 62.34 3cm4 s PRO 176 Cb -0.11 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 3cm4 s PRO 176 CO 0.15 -0.82 0.13 1.52 0.04 0.00 0.00 177.00 178.03 3cm4 s TYR 177 N -2.57 0.19 0.19 0.56 1.13 -1.26 -1.92 117.35 113.66 3cm4 s TYR 177 Ca 0.62 -0.54 0.09 0.00 -1.41 0.00 0.00 57.07 55.84 3cm4 s TYR 177 Cb -0.15 -0.12 -0.04 0.00 -1.10 0.00 0.00 41.96 40.55 3cm4 s TYR 177 CO 0.40 -0.44 -0.10 0.00 -2.51 0.00 0.00 175.55 172.90 3cm4 s ALA 178 N -3.13 2.92 -0.14 9.51 0.00 -0.13 -2.46 121.76 128.32 3cm4 s ALA 178 Ca -0.01 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 50.46 3cm4 s ALA 178 Cb 0.02 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.46 3cm4 s ALA 178 CO -0.07 0.44 -0.20 -0.51 0.00 0.00 0.00 175.76 175.42 3cm4 s LEU 179 N -2.91 2.03 -0.24 0.00 1.43 0.84 -1.08 118.68 118.76 3cm4 s LEU 179 Ca 0.25 -0.58 -0.08 0.00 -1.03 0.00 0.00 54.13 52.70 3cm4 s LEU 179 Cb -0.08 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 3cm4 s LEU 179 CO 0.15 0.04 0.08 -0.76 0.23 0.00 0.00 176.35 176.09 3cm4 s LEU 180 N 0.99 3.55 0.57 1.79 1.43 0.37 -1.45 118.68 125.93 3cm4 s LEU 180 Ca -0.04 -0.13 -0.19 0.00 -1.03 0.00 0.00 54.13 52.75 3cm4 s LEU 180 Cb -0.15 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 3cm4 s LEU 180 CO -0.05 0.01 1.14 -2.28 0.23 0.00 0.00 176.35 175.41 3cm4 s HIS 181 N 1.34 2.60 -0.23 0.29 5.65 -0.34 -1.46 115.29 123.13 3cm4 s HIS 181 Ca 0.05 1.54 -0.26 0.00 0.25 0.00 0.00 55.06 56.64 3cm4 s HIS 181 Cb -0.15 -3.32 0.10 0.00 -1.18 0.00 0.00 32.58 28.03 3cm4 s HIS 181 CO 0.04 -1.74 0.89 0.00 -0.65 0.00 0.00 174.74 173.28 3cm4 s THR 183 N -0.08 1.44 -1.16 0.00 2.01 -1.26 -3.86 115.64 112.72 3cm4 s THR 183 Ca -0.00 -0.56 -0.05 0.00 0.31 0.00 0.00 61.69 61.39 3cm4 s THR 183 Cb -0.04 -1.36 0.24 0.00 0.01 0.00 0.00 72.50 71.35 3cm4 s THR 183 CO -0.01 0.44 1.84 0.59 -0.69 0.00 0.00 174.62 176.78 3cm4 n ASN 184 N 4.71 6.65 -4.14 3.53 4.13 -1.26 -4.66 115.26 124.23 3cm4 n ASN 184 Ca -0.16 -3.36 -0.28 0.00 1.68 0.00 0.00 54.58 52.46 3cm4 n ASN 184 Cb 0.50 -1.31 -0.17 0.00 -1.54 0.00 0.00 39.78 37.26 3cm4 n ASN 184 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3cm4 s ILE 185 N -2.09 1.59 -0.33 2.41 1.01 -1.26 -5.08 121.20 117.45 3cm4 s ILE 185 Ca 0.39 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 60.29 3cm4 s ILE 185 Cb 0.12 -1.39 0.09 0.00 0.01 0.00 0.00 42.46 41.29 3cm4 s ILE 185 CO -0.01 0.46 0.04 -0.31 0.00 0.00 0.00 174.94 175.11 3cm4 s TYR 186 N 0.32 3.56 0.59 3.97 1.51 -1.26 -1.27 117.35 124.77 3cm4 s TYR 186 Ca -0.12 -2.59 -0.06 0.00 -1.01 0.00 0.00 57.07 53.29 3cm4 s TYR 186 Cb -0.15 -2.66 0.01 0.00 -0.11 0.00 0.00 41.96 39.05 3cm4 s TYR 186 CO 0.05 -0.92 0.90 -1.25 -1.11 0.00 0.00 175.55 173.23 3cm4 s PRO 187 N 1.04 2.90 -0.17 -1.71 0.04 -1.26 -4.62 135.00 131.21 3cm4 s PRO 187 Ca 0.04 -0.02 -0.19 0.00 0.04 0.00 0.00 61.00 60.87 3cm4 s PRO 187 Cb -0.20 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 3cm4 s PRO 187 CO -0.06 -0.72 0.53 0.99 0.04 0.00 0.00 177.00 177.79 3cm4 s THR 188 N -3.00 5.11 0.53 1.26 2.01 -0.30 -4.96 115.64 116.30 3cm4 s THR 188 Ca 0.54 1.01 -0.21 0.00 0.31 0.00 0.00 61.69 63.34 3cm4 s THR 188 Cb -0.11 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 3cm4 s THR 188 CO 0.45 0.21 1.23 -2.84 -0.69 0.00 0.00 174.62 172.98 3cm4 s PRO 189 N 1.40 3.30 0.21 4.92 0.02 -1.26 -4.26 135.00 139.33 3cm4 s PRO 189 Ca 0.26 1.91 -0.10 0.00 0.02 0.00 0.00 61.00 63.09 3cm4 s PRO 189 Cb -0.15 -2.18 0.30 0.00 0.02 0.00 0.00 34.50 32.48 3cm4 s PRO 189 CO 0.10 -0.97 1.70 1.88 -0.33 0.00 0.00 177.00 179.38 3cm4 h TYR 190 N 1.44 0.18 0.00 6.54 0.05 -2.01 -1.58 116.97 121.60 3cm4 h TYR 190 Ca -0.50 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.31 3cm4 h TYR 190 Cb 1.28 0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.03 3cm4 h TYR 190 CO 0.49 -0.04 0.00 1.05 -1.05 0.00 0.00 178.16 178.61 3cm4 h GLU 191 N 0.25 0.00 -0.12 4.88 4.11 -2.05 -1.56 114.58 120.08 3cm4 h GLU 191 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.75 3cm4 h GLU 191 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3cm4 h GLU 191 CO -0.41 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.42 3cm4 n ASP 192 N -2.64 2.88 -0.10 3.06 10.43 -0.59 -4.49 116.55 125.10 3cm4 n ASP 192 Ca -0.02 -1.93 -0.12 0.00 2.57 0.00 0.00 54.79 55.29 3cm4 n ASP 192 Cb 0.06 -0.06 -0.04 0.00 1.84 0.00 0.00 41.12 42.91 3cm4 n ASP 192 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 3cm4 h VAL 193 N 4.27 1.29 -6.18 2.53 2.07 -1.32 -3.46 116.25 115.45 3cm4 h VAL 193 Ca 0.00 -1.21 -0.32 0.00 0.82 0.00 0.00 66.70 65.99 3cm4 h VAL 193 Cb 0.92 1.49 0.02 0.00 -1.52 0.00 0.00 31.29 32.19 3cm4 h VAL 193 CO 0.00 0.38 -0.70 0.54 0.02 0.00 0.00 177.57 177.81 3cm4 n ARG 194 N -4.44 -1.36 0.11 1.57 1.74 -1.26 -4.85 116.66 108.17 3cm4 n ARG 194 Ca -0.03 0.91 0.18 0.00 -0.77 0.00 0.00 57.85 58.13 3cm4 n ARG 194 Cb 0.36 -3.86 0.74 0.00 -1.02 0.00 0.00 32.46 28.68 3cm4 n ARG 194 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3cm4 h LEU 195 N -0.48 0.00 -1.57 0.55 3.38 -1.94 -0.06 115.31 115.20 3cm4 h LEU 195 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3cm4 h LEU 195 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3cm4 h LEU 195 CO 0.38 0.00 0.00 1.23 0.09 0.00 0.00 178.44 180.14 3cm4 h GLY 196 N 0.00 0.00 2.00 0.83 0.00 -2.02 -0.68 103.07 103.21 3cm4 h GLY 196 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 3cm4 h GLY 196 CO -0.00 0.00 -0.01 -1.33 0.00 0.00 0.00 176.54 175.19 3cm4 h GLY 197 N 0.42 0.00 1.00 4.60 0.00 -1.33 -2.43 103.07 105.33 3cm4 h GLY 197 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3cm4 h GLY 197 CO 0.00 0.00 0.20 -0.33 0.00 0.00 0.00 176.54 176.41 3cm4 h MET 198 N 0.00 0.90 -0.36 4.80 2.07 -1.32 -1.86 114.93 119.16 3cm4 h MET 198 Ca -0.00 -0.19 -0.02 0.00 -2.07 0.00 0.00 59.70 57.42 3cm4 h MET 198 Cb 0.03 -0.14 -0.02 0.00 -1.87 0.00 0.00 31.60 29.61 3cm4 h MET 198 CO 0.00 0.80 0.15 -0.91 1.07 0.00 0.00 176.91 178.02 3cm4 h ASN 199 N 0.83 0.50 -0.67 1.22 2.35 -1.62 -1.91 115.58 116.28 3cm4 h ASN 199 Ca 0.19 -0.16 0.13 0.00 -0.55 0.00 0.00 56.30 55.91 3cm4 h ASN 199 Cb 0.26 -0.13 -0.09 0.00 0.05 0.00 0.00 38.32 38.41 3cm4 h ASN 199 CO -0.01 0.52 0.18 0.44 -1.65 0.00 0.00 177.43 176.91 3cm4 h ASP 200 N 0.44 0.07 -0.08 5.81 3.45 -1.36 0.47 116.42 125.22 3cm4 h ASP 200 Ca 0.12 0.12 -0.02 0.00 0.43 0.00 0.00 57.03 57.69 3cm4 h ASP 200 Cb 0.18 0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 39.09 3cm4 h ASP 200 CO -0.01 0.02 -0.01 -0.07 -1.57 0.00 0.00 179.24 177.60 3cm4 h LEU 201 N 0.31 0.15 -1.01 1.55 3.38 -1.09 -1.91 115.31 116.69 3cm4 h LEU 201 Ca 0.36 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3cm4 h LEU 201 Cb 0.56 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3cm4 h LEU 201 CO -0.43 0.45 0.08 0.77 0.09 0.00 0.00 178.44 179.40 3cm4 h SER 202 N -0.16 0.75 -0.71 -0.43 4.64 -1.08 0.14 113.55 116.69 3cm4 h SER 202 Ca 0.02 -0.15 -0.07 0.00 -0.47 0.00 0.00 61.79 61.13 3cm4 h SER 202 Cb 0.38 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.24 3cm4 h SER 202 CO 0.01 0.77 0.19 -0.33 -0.87 0.00 0.00 176.83 176.59 3cm4 h GLU 203 N 0.76 1.13 0.02 4.77 5.08 -0.89 -2.81 114.58 122.64 3cm4 h GLU 203 Ca 0.16 -0.26 -0.21 0.00 -1.00 0.00 0.00 59.36 58.05 3cm4 h GLU 203 Cb 0.34 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3cm4 h GLU 203 CO 0.01 0.99 -0.94 0.00 -1.00 0.00 0.00 179.01 178.06 3cm4 h ALA 204 N 1.09 0.44 -2.78 3.43 0.00 -1.03 -3.40 119.26 117.01 3cm4 h ALA 204 Ca 0.23 -0.77 -0.61 0.00 0.00 0.00 0.00 54.91 53.76 3cm4 h ALA 204 Cb 0.35 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 17.67 3cm4 h ALA 204 CO -0.00 0.96 -0.75 -0.06 0.00 0.00 0.00 179.25 179.40 3cm4 s PHE 205 N -3.08 2.45 0.01 0.00 0.40 0.45 -4.98 117.98 113.24 3cm4 s PHE 205 Ca -0.03 -2.87 0.30 0.00 -0.60 0.00 0.00 56.93 53.73 3cm4 s PHE 205 Cb 0.10 -1.91 1.49 0.00 0.51 0.00 0.00 43.02 43.21 3cm4 s PHE 205 CO 0.84 -0.68 1.91 -1.35 0.70 0.00 0.00 175.22 176.64 3cm4 h PRO 206 N 5.56 0.00 -0.08 0.24 0.11 -1.73 -2.39 132.00 133.72 3cm4 h PRO 206 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3cm4 h PRO 206 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3cm4 h PRO 206 CO 0.56 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 3cm4 n ASP 207 N -2.60 2.16 -4.82 -2.05 3.85 -1.26 -4.94 116.55 106.89 3cm4 n ASP 207 Ca -0.01 -1.73 -0.38 0.00 -0.71 0.00 0.00 54.79 51.96 3cm4 n ASP 207 Cb 0.13 -0.04 -0.06 0.00 -1.35 0.00 0.00 41.12 39.80 3cm4 n ASP 207 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3cm4 s ALA 208 N -1.92 3.61 0.16 2.12 0.00 -0.90 -4.81 121.76 120.01 3cm4 s ALA 208 Ca 0.34 -0.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.97 3cm4 s ALA 208 Cb 0.20 -2.58 -0.07 0.00 0.00 0.00 0.00 23.12 20.67 3cm4 s ALA 208 CO 0.31 0.42 1.13 0.42 0.00 0.00 0.00 175.76 178.05 3cm4 s ILE 209 N -1.16 3.84 -0.01 0.00 1.09 -1.03 -4.92 121.20 119.02 3cm4 s ILE 209 Ca 0.29 1.54 0.05 0.00 -1.10 0.00 0.00 60.65 61.42 3cm4 s ILE 209 Cb -0.18 -3.98 -0.03 0.00 -1.06 0.00 0.00 42.46 37.21 3cm4 s ILE 209 CO 0.18 0.24 -0.14 -0.63 -0.10 0.00 0.00 174.94 174.49 3cm4 s ILE 210 N -0.02 3.12 0.00 2.92 -1.09 -1.26 -0.11 121.20 124.76 3cm4 s ILE 210 Ca 0.51 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 58.05 3cm4 s ILE 210 Cb -0.30 -2.29 0.00 0.00 -1.58 0.00 0.00 42.46 38.29 3cm4 s ILE 210 CO 0.34 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 175.13 3cm4 n GLY 211 N 1.89 2.64 2.98 6.18 0.00 -0.53 -0.44 105.19 117.91 3cm4 n GLY 211 Ca -0.16 -1.18 -0.23 0.00 0.00 0.00 0.00 46.02 44.44 3cm4 n GLY 211 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cm4 s LEU 212 N 0.00 1.54 -0.21 0.99 2.96 -0.31 -1.20 118.68 122.45 3cm4 s LEU 212 Ca 0.00 -0.24 -0.11 0.00 -0.22 0.00 0.00 54.13 53.56 3cm4 s LEU 212 Cb 0.00 -0.69 -0.05 0.00 0.50 0.00 0.00 46.19 45.96 3cm4 s LEU 212 CO 0.00 0.00 0.17 -0.55 -1.32 0.00 0.00 176.35 174.66 3cm4 s SER 213 N 0.73 6.23 0.03 3.68 0.15 0.33 -1.00 113.70 123.85 3cm4 s SER 213 Ca -0.13 0.25 0.08 0.00 0.70 0.00 0.00 55.95 56.84 3cm4 s SER 213 Cb -0.15 -2.11 -0.02 0.00 -1.71 0.00 0.00 66.02 62.02 3cm4 s SER 213 CO 0.02 0.12 -0.22 -0.62 1.20 0.00 0.00 173.24 173.75 3cm4 s ASP 214 N 0.60 2.62 -0.04 5.45 2.15 0.14 -4.36 116.67 123.22 3cm4 s ASP 214 Ca 0.10 -0.51 0.06 0.00 0.43 0.00 0.00 52.55 52.63 3cm4 s ASP 214 Cb -0.12 -0.24 0.10 0.00 -0.30 0.00 0.00 42.92 42.36 3cm4 s ASP 214 CO 0.01 0.20 1.01 1.41 -0.17 0.00 0.00 175.17 177.63 3cm4 n HIS 215 N 1.96 0.00 -1.69 -5.34 8.25 -1.26 -4.46 115.22 112.68 3cm4 n HIS 215 Ca -0.17 -0.35 -0.30 0.00 -0.26 0.00 0.00 57.72 56.64 3cm4 n HIS 215 Cb 0.53 -0.08 0.19 0.00 1.12 0.00 0.00 29.99 31.75 3cm4 n HIS 215 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3cm4 s THR 216 N -1.00 1.90 -2.16 1.59 -4.23 -1.26 -1.15 115.64 109.32 3cm4 s THR 216 Ca 0.11 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 60.90 3cm4 s THR 216 Cb 0.09 -2.86 0.72 0.00 1.34 0.00 0.00 72.50 71.80 3cm4 s THR 216 CO 0.01 0.00 1.97 0.18 -0.54 0.00 0.00 174.62 176.24 3cm4 n LEU 217 N -3.98 0.56 0.00 4.79 4.77 -1.26 -4.69 117.00 117.19 3cm4 n LEU 217 Ca 0.13 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3cm4 n LEU 217 Cb 0.60 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 3cm4 n LEU 217 CO 0.47 0.10 0.00 -0.90 -1.33 0.00 0.00 177.39 175.73 3cm4 n ASP 218 N -0.54 0.00 -0.18 -1.43 5.68 -1.26 -4.97 116.55 113.85 3cm4 n ASP 218 Ca 0.21 -0.99 0.13 0.00 -0.50 0.00 0.00 54.79 53.64 3cm4 n ASP 218 Cb 0.19 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 40.59 3cm4 n ASP 218 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3cm4 n ASN 219 N -1.10 0.82 0.03 -1.12 5.03 -1.26 -4.48 115.26 113.18 3cm4 n ASN 219 Ca 0.00 -0.71 -0.11 0.00 0.87 0.00 0.00 54.58 54.63 3cm4 n ASN 219 Cb 0.00 0.09 -0.05 0.00 -1.02 0.00 0.00 39.78 38.80 3cm4 n ASN 219 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 3cm4 h TYR 220 N 0.90 -0.15 -0.61 3.10 0.05 -1.99 -0.51 116.97 117.76 3cm4 h TYR 220 Ca 0.00 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.79 3cm4 h TYR 220 Cb 0.47 0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.26 3cm4 h TYR 220 CO 0.00 -0.10 0.41 0.00 -1.05 0.00 0.00 178.16 177.42 3cm4 h ALA 221 N 0.94 0.78 -0.61 3.88 0.00 -2.00 -0.23 119.26 122.02 3cm4 h ALA 221 Ca 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3cm4 h ALA 221 Cb 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3cm4 h ALA 221 CO -0.10 0.21 0.29 0.00 0.00 0.00 0.00 179.25 179.66 3cm4 h LEU 223 N 0.86 0.87 -1.05 0.00 3.38 -0.31 -2.26 115.31 116.80 3cm4 h LEU 223 Ca 0.21 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3cm4 h LEU 223 Cb 0.09 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3cm4 h LEU 223 CO -0.03 1.10 0.43 1.23 0.09 0.00 0.00 178.44 181.25 3cm4 h GLY 224 N 0.91 1.17 1.24 0.83 0.00 -0.62 -2.54 103.07 104.07 3cm4 h GLY 224 Ca 0.08 -0.53 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 3cm4 h GLY 224 CO 0.07 0.50 -0.04 0.00 0.00 0.00 0.00 176.54 177.08 3cm4 h ALA 225 N 1.37 0.95 -0.42 3.60 0.00 -0.87 -1.74 119.26 122.14 3cm4 h ALA 225 Ca 0.28 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3cm4 h ALA 225 Cb 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3cm4 h ALA 225 CO -0.04 0.63 0.25 0.28 0.00 0.00 0.00 179.25 180.36 3cm4 h VAL 226 N 0.83 1.14 -0.80 0.00 2.07 -1.21 0.61 116.25 118.89 3cm4 h VAL 226 Ca 0.15 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 67.45 3cm4 h VAL 226 Cb 0.54 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 3cm4 h VAL 226 CO 0.03 0.14 0.52 0.00 0.02 0.00 0.00 177.57 178.28 3cm4 h ALA 227 N 1.11 1.74 -0.00 1.67 0.00 -1.14 -0.74 119.26 121.90 3cm4 h ALA 227 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3cm4 h ALA 227 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3cm4 h ALA 227 CO -0.03 0.10 -0.01 1.28 0.00 0.00 0.00 179.25 180.60 3cm4 n LEU 228 N -4.50 0.17 0.00 0.00 4.32 -0.68 -4.69 117.00 111.61 3cm4 n LEU 228 Ca 0.13 -0.01 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 3cm4 n LEU 228 Cb 0.31 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 3cm4 n LEU 228 CO 0.32 0.03 0.00 0.61 -1.22 0.00 0.00 177.39 177.13 3cm4 n GLY 229 N 1.06 1.16 3.76 -0.72 0.00 -0.29 -4.97 105.19 105.20 3cm4 n GLY 229 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 3cm4 n GLY 229 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cm4 s GLY 230 N -2.00 2.67 -0.09 -0.02 0.00 0.21 -4.76 107.32 103.32 3cm4 s GLY 230 Ca 0.00 1.42 0.13 0.00 0.00 0.00 0.00 44.72 46.27 3cm4 s GLY 230 CO 0.00 2.21 0.13 1.44 0.00 0.00 0.00 173.10 176.89 3cm4 n SER 231 N 1.31 1.76 -4.04 1.64 7.64 0.42 -4.52 113.62 117.83 3cm4 n SER 231 Ca 0.03 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.67 3cm4 n SER 231 Cb 0.40 1.09 -0.16 0.00 -1.01 0.00 0.00 64.21 64.53 3cm4 n SER 231 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3cm4 s ILE 232 N -2.54 1.13 -0.10 0.44 1.01 -1.24 -0.69 121.20 119.21 3cm4 s ILE 232 Ca -0.06 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.11 3cm4 s ILE 232 Cb 0.06 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.52 3cm4 s ILE 232 CO 0.55 0.35 -0.19 -0.76 0.00 0.00 0.00 174.94 174.89 3cm4 s LEU 233 N 0.44 1.92 -0.13 2.97 1.43 0.12 -1.17 118.68 124.26 3cm4 s LEU 233 Ca -0.10 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 3cm4 s LEU 233 Cb -0.14 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 44.87 3cm4 s LEU 233 CO 0.03 0.08 -0.17 -0.70 0.23 0.00 0.00 176.35 175.82 3cm4 s GLU 234 N 0.66 2.47 0.10 1.70 2.12 -0.17 0.07 118.70 125.65 3cm4 s GLU 234 Ca -0.13 -0.64 0.03 0.00 0.36 0.00 0.00 54.97 54.60 3cm4 s GLU 234 Cb -0.16 -2.13 -0.04 0.00 0.26 0.00 0.00 34.13 32.06 3cm4 s GLU 234 CO 0.03 -0.12 -0.09 1.03 -0.54 0.00 0.00 175.26 175.57 3cm4 s ARG 235 N 1.14 0.85 0.71 4.30 0.52 -1.17 0.24 118.95 125.54 3cm4 s ARG 235 Ca -0.02 -1.21 -0.15 0.00 -0.52 0.00 0.00 55.73 53.83 3cm4 s ARG 235 Cb -0.14 -0.45 0.03 0.00 0.52 0.00 0.00 34.95 34.90 3cm4 s ARG 235 CO -0.06 0.06 1.16 -1.01 0.02 0.00 0.00 175.30 175.47 3cm4 s HIS 236 N -2.75 2.27 -0.00 -0.53 3.76 -1.26 -1.46 115.29 115.32 3cm4 s HIS 236 Ca 0.07 1.59 0.02 0.00 -0.15 0.00 0.00 55.06 56.59 3cm4 s HIS 236 Cb -0.01 -3.34 -0.01 0.00 1.11 0.00 0.00 32.58 30.33 3cm4 s HIS 236 CO -0.01 -2.23 -0.08 0.12 -0.85 0.00 0.00 174.74 171.69 3cm4 s PHE 237 N -2.15 0.69 0.03 1.40 2.19 0.97 -0.30 117.98 120.81 3cm4 s PHE 237 Ca 0.71 -0.15 -0.01 0.00 0.33 0.00 0.00 56.93 57.81 3cm4 s PHE 237 Cb -0.25 -0.44 -0.03 0.00 -1.31 0.00 0.00 43.02 40.99 3cm4 s PHE 237 CO 0.44 -0.01 -0.01 -0.08 1.83 0.00 0.00 175.22 177.39 3cm4 s THR 238 N -0.25 0.15 0.20 0.12 -1.32 -0.02 -4.43 115.64 110.10 3cm4 s THR 238 Ca 0.02 -1.26 0.07 0.00 -1.21 0.00 0.00 61.69 59.31 3cm4 s THR 238 Cb -0.03 -0.82 -0.11 0.00 -1.51 0.00 0.00 72.50 70.03 3cm4 s THR 238 CO -0.00 -0.70 1.46 -2.24 -2.21 0.00 0.00 174.62 170.93 3cm4 h ASP 239 N 3.94 0.10 -4.93 8.08 -0.00 -1.85 -3.36 116.42 118.41 3cm4 h ASP 239 Ca -0.33 -0.08 -0.12 0.00 -0.00 0.00 0.00 57.03 56.51 3cm4 h ASP 239 Cb 1.18 -0.03 -0.20 0.00 -0.00 0.00 0.00 39.33 40.28 3cm4 h ASP 239 CO 0.52 0.84 -0.28 0.00 -0.00 0.00 0.00 179.24 180.32 3cm4 s ARG 240 N -3.31 0.65 0.21 4.15 1.70 -1.26 -4.53 118.95 116.57 3cm4 s ARG 240 Ca -0.02 -0.16 0.24 0.00 -0.47 0.00 0.00 55.73 55.33 3cm4 s ARG 240 Cb 0.11 0.29 0.91 0.00 -0.57 0.00 0.00 34.95 35.69 3cm4 s ARG 240 CO 0.80 -0.18 1.73 -1.33 -1.08 0.00 0.00 175.30 175.24 3cm4 n MET 241 N 1.36 0.19 -0.04 3.89 2.81 -1.26 -3.45 117.12 120.62 3cm4 n MET 241 Ca -0.21 0.32 0.10 0.00 -1.81 0.00 0.00 57.70 56.10 3cm4 n MET 241 Cb 0.56 -1.80 0.48 0.00 -0.71 0.00 0.00 33.22 31.75 3cm4 n MET 241 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3cm4 n ASP 242 N -2.15 0.89 -4.75 7.83 5.75 -1.26 -4.88 116.55 117.97 3cm4 n ASP 242 Ca 0.04 -1.54 -0.35 0.00 -0.01 0.00 0.00 54.79 52.92 3cm4 n ASP 242 Cb 0.30 -0.05 0.04 0.00 -1.03 0.00 0.00 41.12 40.38 3cm4 n ASP 242 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3cm4 s ARG 243 N -1.90 2.85 0.46 0.11 1.81 -1.22 -5.04 118.95 116.02 3cm4 s ARG 243 Ca 0.31 1.68 -0.15 0.00 -1.72 0.00 0.00 55.73 55.86 3cm4 s ARG 243 Cb 0.16 -1.93 -0.08 0.00 -0.45 0.00 0.00 34.95 32.65 3cm4 s ARG 243 CO 0.25 -1.26 0.90 -1.25 -0.68 0.00 0.00 175.30 173.25 3cm4 s PRO 244 N -3.59 3.92 0.00 3.54 0.04 -1.26 -4.91 135.00 132.74 3cm4 s PRO 244 Ca 0.74 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.57 3cm4 s PRO 244 Cb -0.27 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.03 3cm4 s PRO 244 CO 0.36 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.66 3cm4 n GLY 245 N -1.33 4.71 0.25 0.56 0.00 -1.26 -4.87 105.19 103.24 3cm4 n GLY 245 Ca 0.05 -0.97 0.10 0.00 0.00 0.00 0.00 46.02 45.20 3cm4 n GLY 245 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cm4 h PRO 246 N 0.00 0.00 -0.01 1.61 0.13 -1.96 -3.06 132.00 128.71 3cm4 h PRO 246 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3cm4 h PRO 246 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3cm4 h PRO 246 CO 0.00 0.13 -0.75 -0.25 -0.23 0.00 0.00 178.00 176.90 3cm4 n ASP 247 N -3.94 1.31 -0.10 1.44 8.00 -1.26 -4.55 116.55 117.45 3cm4 n ASP 247 Ca -0.02 -1.11 -0.08 0.00 0.71 0.00 0.00 54.79 54.29 3cm4 n ASP 247 Cb 0.22 0.73 0.00 0.00 -0.02 0.00 0.00 41.12 42.05 3cm4 n ASP 247 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3cm4 h ILE 248 N 0.88 0.99 -0.98 0.53 1.08 -1.87 -3.10 117.51 115.04 3cm4 h ILE 248 Ca 0.00 -0.12 0.26 0.00 -0.39 0.00 0.00 64.86 64.61 3cm4 h ILE 248 Cb 0.59 0.61 -0.13 0.00 -3.07 0.00 0.00 36.82 34.81 3cm4 h ILE 248 CO 0.00 0.06 0.53 1.62 -0.69 0.00 0.00 178.15 179.68 3cm4 h VAL 249 N 0.35 0.45 -0.69 1.67 3.04 -1.80 0.13 116.25 119.40 3cm4 h VAL 249 Ca 0.14 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 3cm4 h VAL 249 Cb 0.05 -0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.28 3cm4 h VAL 249 CO -0.09 0.08 0.00 0.00 -1.01 0.00 0.00 177.57 176.55 3cm4 s SER 251 N -0.92 6.70 0.42 0.00 0.01 0.46 -4.43 113.70 115.94 3cm4 s SER 251 Ca 0.52 1.49 -0.07 0.00 1.31 0.00 0.00 55.95 59.19 3cm4 s SER 251 Cb 0.32 -2.47 -0.05 0.00 0.21 0.00 0.00 66.02 64.03 3cm4 s SER 251 CO 0.27 -0.46 0.74 0.00 0.41 0.00 0.00 173.24 174.20 3cm4 s MET 252 N -3.70 3.65 0.54 12.44 0.00 0.58 -4.90 119.30 127.92 3cm4 s MET 252 Ca 0.58 0.27 0.02 0.00 0.00 0.00 0.00 55.69 56.56 3cm4 s MET 252 Cb -0.10 -2.43 0.02 0.00 0.00 0.00 0.00 34.83 32.32 3cm4 s MET 252 CO 0.25 -0.06 0.18 0.54 0.00 0.00 0.00 175.02 175.93 3cm4 s ASN 253 N -3.57 4.36 0.29 -1.18 6.03 -1.26 -0.84 114.94 118.77 3cm4 s ASN 253 Ca 0.48 -1.53 0.04 0.00 -1.03 0.00 0.00 52.86 50.82 3cm4 s ASN 253 Cb -0.10 0.64 0.72 0.00 -3.03 0.00 0.00 41.25 39.47 3cm4 s ASN 253 CO 0.37 -1.04 1.72 -0.65 -2.03 0.00 0.00 177.10 175.47 3cm4 h PRO 254 N 1.02 0.48 -0.23 3.55 0.11 -1.80 0.35 132.00 135.49 3cm4 h PRO 254 Ca -0.41 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 3cm4 h PRO 254 Cb 1.32 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3cm4 h PRO 254 CO 0.66 0.31 -0.04 -0.44 -0.21 0.00 0.00 178.00 178.29 3cm4 h ASP 255 N 0.49 0.42 1.26 -2.05 3.32 -1.96 -2.22 116.42 115.69 3cm4 h ASP 255 Ca 0.56 -0.35 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 3cm4 h ASP 255 Cb 1.00 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 3cm4 h ASP 255 CO -0.48 0.67 -0.46 0.71 -1.72 0.00 0.00 179.24 177.96 3cm4 h THR 256 N 0.17 0.86 -0.26 0.35 1.35 -1.84 -2.11 112.91 111.43 3cm4 h THR 256 Ca 0.06 -1.97 -0.00 0.00 -0.55 0.00 0.00 66.41 63.95 3cm4 h THR 256 Cb 0.48 2.25 -0.01 0.00 -1.73 0.00 0.00 68.15 69.13 3cm4 h THR 256 CO 0.02 0.45 0.15 0.15 -0.25 0.00 0.00 175.52 176.03 3cm4 h PHE 257 N 0.00 0.35 -0.71 4.73 3.57 -0.92 -1.79 116.94 122.17 3cm4 h PHE 257 Ca -0.00 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3cm4 h PHE 257 Cb 1.21 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.81 3cm4 h PHE 257 CO 0.00 0.28 0.33 0.87 -2.23 0.00 0.00 178.31 177.56 3cm4 h LYS 258 N 0.31 1.02 -0.11 1.11 1.57 -1.08 -0.73 116.57 118.66 3cm4 h LYS 258 Ca 0.09 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3cm4 h LYS 258 Cb 0.04 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3cm4 h LYS 258 CO -0.02 0.79 0.07 0.93 -0.57 0.00 0.00 179.45 180.65 3cm4 h GLU 259 N 1.01 0.15 -0.51 3.15 5.08 -1.34 -1.32 114.58 120.80 3cm4 h GLU 259 Ca 0.24 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3cm4 h GLU 259 Cb 0.12 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3cm4 h GLU 259 CO -0.03 0.15 0.32 1.25 -1.00 0.00 0.00 179.01 179.70 3cm4 h LEU 260 N 0.11 0.60 -0.56 1.33 5.85 -1.03 0.24 115.31 121.86 3cm4 h LEU 260 Ca 0.04 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.81 3cm4 h LEU 260 Cb 0.04 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 3cm4 h LEU 260 CO -0.01 0.46 0.18 0.50 -0.34 0.00 0.00 178.44 179.24 3cm4 h LYS 261 N 0.69 0.34 -0.25 1.25 3.64 -1.00 0.25 116.57 121.48 3cm4 h LYS 261 Ca 0.19 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 3cm4 h LYS 261 Cb -0.04 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3cm4 h LYS 261 CO -0.04 0.23 -0.24 1.96 -2.27 0.00 0.00 179.45 179.09 3cm4 h GLN 262 N 0.35 0.61 -0.79 1.90 4.20 -0.85 -2.11 115.11 118.41 3cm4 h GLN 262 Ca 0.28 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3cm4 h GLN 262 Cb 0.35 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.10 3cm4 h GLN 262 CO -0.30 0.91 0.51 0.78 -0.67 0.00 0.00 178.83 180.06 3cm4 h GLY 263 N 0.32 1.12 1.39 3.46 0.00 -0.67 -2.27 103.07 106.42 3cm4 h GLY 263 Ca 0.04 -0.43 -0.13 0.00 0.00 0.00 0.00 47.33 46.81 3cm4 h GLY 263 CO 0.06 0.42 -0.35 0.00 0.00 0.00 0.00 176.54 176.68 3cm4 h ALA 264 N 1.28 0.82 -0.36 3.60 0.00 -0.39 -0.55 119.26 123.66 3cm4 h ALA 264 Ca 0.29 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3cm4 h ALA 264 Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3cm4 h ALA 264 CO -0.06 0.64 0.09 1.25 0.00 0.00 0.00 179.25 181.18 3cm4 h HIS 265 N 0.57 0.59 -0.28 0.00 6.17 -1.25 0.53 115.15 121.48 3cm4 h HIS 265 Ca 0.06 -0.07 -0.01 0.00 0.71 0.00 0.00 60.37 61.06 3cm4 h HIS 265 Cb 0.86 -0.17 -0.01 0.00 2.52 0.00 0.00 27.41 30.61 3cm4 h HIS 265 CO 0.04 0.59 0.15 0.00 0.71 0.00 0.00 177.93 179.42 3cm4 h ALA 266 N 0.94 0.37 0.00 5.26 0.00 -1.18 -2.81 119.26 121.83 3cm4 h ALA 266 Ca 0.11 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3cm4 h ALA 266 Cb 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3cm4 h ALA 266 CO -0.00 -0.10 -0.53 -0.07 0.00 0.00 0.00 179.25 178.56 3cm4 h LEU 267 N 0.34 0.00 -0.77 0.00 3.38 -1.00 -0.85 115.31 116.41 3cm4 h LEU 267 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3cm4 h LEU 267 Cb 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3cm4 h LEU 267 CO -0.02 0.53 0.43 0.50 0.09 0.00 0.00 178.44 179.97 3cm4 h LYS 268 N 0.00 1.06 -0.30 1.13 1.63 -0.83 -1.49 116.57 117.78 3cm4 h LYS 268 Ca -0.01 -0.12 -0.09 0.00 -0.85 0.00 0.00 60.65 59.59 3cm4 h LYS 268 Cb 1.02 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.43 3cm4 h LYS 268 CO 0.07 0.78 -0.15 -0.07 -3.45 0.00 0.00 179.45 176.63 3cm4 h LEU 269 N 1.06 0.65 -0.12 5.20 3.38 -1.18 -3.31 115.31 121.00 3cm4 h LEU 269 Ca 0.27 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3cm4 h LEU 269 Cb 0.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3cm4 h LEU 269 CO -0.05 0.92 0.00 0.00 0.09 0.00 0.00 178.44 179.40 3cm4 h ALA 270 N 0.76 1.00 -2.32 1.53 0.00 -1.04 -3.47 119.26 115.72 3cm4 h ALA 270 Ca 0.07 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.48 3cm4 h ALA 270 Cb 0.67 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.50 3cm4 h ALA 270 CO 0.04 0.00 0.25 -0.98 0.00 0.00 0.00 179.25 178.57 3cm4 s ARG 271 N -3.21 3.61 3.98 0.00 1.70 -0.57 -4.91 118.95 119.55 3cm4 s ARG 271 Ca 0.08 0.49 0.00 0.00 -0.47 0.00 0.00 55.73 55.83 3cm4 s ARG 271 Cb 0.07 -2.24 0.00 0.00 -0.57 0.00 0.00 34.95 32.21 3cm4 s ARG 271 CO 0.63 -0.35 0.00 0.41 -1.08 0.00 0.00 175.30 174.92 3cm4 n GLY 272 N -2.34 0.62 4.16 3.88 0.00 -1.26 -5.02 105.19 105.23 3cm4 n GLY 272 Ca 0.03 -0.85 0.03 0.00 0.00 0.00 0.00 46.02 45.23 3cm4 n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cm4 n GLY 273 N 0.00 -1.90 3.11 -0.02 0.00 -1.26 -4.97 105.19 100.15 3cm4 n GLY 273 Ca 0.00 -1.34 -0.20 0.00 0.00 0.00 0.00 46.02 44.49 3cm4 n GLY 273 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cm4 s LYS 274 N -0.62 0.90 0.24 1.61 1.02 -1.26 -5.05 119.74 116.59 3cm4 s LYS 274 Ca 0.00 -0.62 -0.04 0.00 0.02 0.00 0.00 55.97 55.33 3cm4 s LYS 274 Cb 0.00 -0.88 0.43 0.00 -0.52 0.00 0.00 37.83 36.86 3cm4 s LYS 274 CO 0.00 0.23 1.77 -0.22 -0.92 0.00 0.00 175.35 176.20 3cm4 h LYS 275 N 5.26 0.58 -0.01 1.68 1.63 -2.07 -3.10 116.57 120.55 3cm4 h LYS 275 Ca -0.36 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 3cm4 h LYS 275 Cb 1.18 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.68 3cm4 h LYS 275 CO 0.46 0.39 -0.01 -0.25 -3.45 0.00 0.00 179.45 176.58 3cm4 n ASP 276 N -4.88 0.66 -4.70 4.20 8.00 -1.26 -4.84 116.55 113.73 3cm4 n ASP 276 Ca 0.14 -1.17 -0.42 0.00 0.71 0.00 0.00 54.79 54.04 3cm4 n ASP 276 Cb 0.36 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 3cm4 n ASP 276 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3cm4 n THR 277 N -0.51 0.24 -2.78 -3.53 -1.04 -1.18 -4.94 114.28 100.55 3cm4 n THR 277 Ca 0.21 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.76 3cm4 n THR 277 Cb 0.23 -2.09 -0.03 0.00 -1.82 0.00 0.00 70.33 66.62 3cm4 n THR 277 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3cm4 s ILE 278 N 2.19 4.82 -0.29 12.58 1.01 -1.26 -5.03 121.20 135.23 3cm4 s ILE 278 Ca 0.79 1.86 -0.07 0.00 0.00 0.00 0.00 60.65 63.23 3cm4 s ILE 278 Cb -0.49 -4.23 -0.00 0.00 0.01 0.00 0.00 42.46 37.75 3cm4 s ILE 278 CO 0.35 -0.00 0.09 -0.63 0.00 0.00 0.00 174.94 174.75 3cm4 s ILE 279 N 2.17 4.15 0.37 2.92 -1.09 -1.26 -4.99 121.20 123.47 3cm4 s ILE 279 Ca 0.43 -0.52 0.13 0.00 -2.23 0.00 0.00 60.65 58.46 3cm4 s ILE 279 Cb -0.17 -3.08 0.35 0.00 -1.58 0.00 0.00 42.46 37.97 3cm4 s ILE 279 CO 0.14 0.14 1.82 0.00 -1.23 0.00 0.00 174.94 175.82 3cm4 h ALA 280 N 8.26 1.99 0.00 9.38 0.00 -2.04 -1.66 119.26 135.19 3cm4 h ALA 280 Ca -0.33 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3cm4 h ALA 280 Cb 1.14 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3cm4 h ALA 280 CO 0.60 -0.31 -0.05 0.78 0.00 0.00 0.00 179.25 180.27 3cm4 h GLY 281 N 0.56 0.00 1.98 0.00 0.00 -2.04 -2.78 103.07 100.80 3cm4 h GLY 281 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 3cm4 h GLY 281 CO -0.26 0.00 -0.01 0.83 0.00 0.00 0.00 176.54 177.09 3cm4 h GLU 282 N 0.00 0.00 -0.51 4.80 5.08 -1.73 -3.39 114.58 118.83 3cm4 h GLU 282 Ca -0.00 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 3cm4 h GLU 282 Cb 0.34 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.49 3cm4 h GLU 282 CO 0.01 0.00 -0.32 -0.22 -1.00 0.00 0.00 179.01 177.47 3cm4 h LYS 283 N 0.00 -0.19 -0.92 2.33 1.63 -1.61 0.08 116.57 117.89 3cm4 h LYS 283 Ca 0.00 0.01 0.18 0.00 -0.85 0.00 0.00 60.65 59.99 3cm4 h LYS 283 Cb 0.88 0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 32.48 3cm4 h LYS 283 CO 0.00 -0.12 0.59 -1.35 -3.45 0.00 0.00 179.45 175.12 3cm4 h PRO 284 N -0.19 0.58 -0.12 1.90 0.11 -1.82 -1.11 132.00 131.35 3cm4 h PRO 284 Ca 0.21 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 3cm4 h PRO 284 Cb 0.54 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 3cm4 h PRO 284 CO -0.62 0.39 -0.07 1.15 -0.21 0.00 0.00 178.00 178.64 3cm4 h THR 285 N 0.60 1.33 -0.86 -1.15 2.02 -1.29 -2.85 112.91 110.70 3cm4 h THR 285 Ca 0.49 -1.13 0.16 0.00 0.77 0.00 0.00 66.41 66.70 3cm4 h THR 285 Cb 0.94 1.82 -0.10 0.00 -1.74 0.00 0.00 68.15 69.07 3cm4 h THR 285 CO -0.23 0.32 0.44 0.11 0.37 0.00 0.00 175.52 176.53 3cm4 h LYS 286 N -0.10 0.59 -0.73 6.66 1.57 -0.82 0.29 116.57 124.04 3cm4 h LYS 286 Ca 0.03 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3cm4 h LYS 286 Cb 0.54 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 3cm4 h LYS 286 CO 0.02 0.39 0.26 -0.44 -0.57 0.00 0.00 179.45 179.11 3cm4 h ASP 287 N 0.61 1.03 0.38 0.86 3.32 -1.02 -2.74 116.42 118.86 3cm4 h ASP 287 Ca 0.48 -0.17 -0.31 0.00 0.02 0.00 0.00 57.03 57.04 3cm4 h ASP 287 Cb 0.71 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 3cm4 h ASP 287 CO -0.38 0.94 -1.81 2.22 -1.72 0.00 0.00 179.24 178.49 3cm4 n PHE 288 N -4.27 1.04 0.04 4.55 -1.74 -1.01 -1.37 117.46 114.71 3cm4 n PHE 288 Ca 0.06 0.33 -0.04 0.00 -0.56 0.00 0.00 57.45 57.24 3cm4 n PHE 288 Cb 0.21 -1.17 -0.09 0.00 1.52 0.00 0.00 39.48 39.94 3cm4 n PHE 288 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3cm4 h ALA 289 N 0.74 0.62 -2.55 1.98 0.00 -0.44 -3.38 119.26 116.24 3cm4 h ALA 289 Ca -0.33 -0.96 -0.49 0.00 0.00 0.00 0.00 54.91 53.13 3cm4 h ALA 289 Cb 2.03 0.17 0.04 0.00 0.00 0.00 0.00 17.79 20.03 3cm4 h ALA 289 CO 0.08 1.13 0.44 -0.06 0.00 0.00 0.00 179.25 180.83 3cm4 s PHE 290 N -2.79 3.04 0.26 0.00 0.40 -1.04 -4.83 117.98 113.02 3cm4 s PHE 290 Ca -0.01 1.59 -0.04 0.00 -0.60 0.00 0.00 56.93 57.86 3cm4 s PHE 290 Cb 0.09 -3.22 -0.05 0.00 0.51 0.00 0.00 43.02 40.34 3cm4 s PHE 290 CO 0.80 -1.06 0.51 0.00 0.70 0.00 0.00 175.22 176.17 3cm4 s ALA 291 N -1.67 3.68 0.26 5.36 0.00 -1.26 -1.37 121.76 126.76 3cm4 s ALA 291 Ca 0.62 -0.62 0.10 0.00 0.00 0.00 0.00 51.96 52.06 3cm4 s ALA 291 Cb -0.24 -2.22 -0.05 0.00 0.00 0.00 0.00 23.12 20.61 3cm4 s ALA 291 CO 0.29 0.31 -0.16 -1.12 0.00 0.00 0.00 175.76 175.08 3cm4 s SER 292 N -3.12 3.22 0.08 0.00 0.01 0.13 -1.94 113.70 112.08 3cm4 s SER 292 Ca 0.42 -1.05 -0.30 0.00 1.31 0.00 0.00 55.95 56.33 3cm4 s SER 292 Cb -0.11 -0.24 -0.06 0.00 0.21 0.00 0.00 66.02 65.82 3cm4 s SER 292 CO 0.29 -0.07 1.19 -0.69 0.41 0.00 0.00 173.24 174.37 3cm4 s VAL 293 N -2.70 4.00 0.21 3.43 1.01 0.11 -0.66 120.40 125.79 3cm4 s VAL 293 Ca 0.28 1.47 0.08 0.00 0.00 0.00 0.00 61.98 63.80 3cm4 s VAL 293 Cb -0.02 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 3cm4 s VAL 293 CO 0.12 0.13 -0.14 0.68 0.00 0.00 0.00 175.10 175.89 3cm4 s VAL 294 N 0.89 1.75 0.16 2.92 -7.23 0.39 -1.29 120.40 117.99 3cm4 s VAL 294 Ca 0.58 -2.22 -0.30 0.00 -1.81 0.00 0.00 61.98 58.23 3cm4 s VAL 294 Cb -0.30 -2.05 -0.08 0.00 0.56 0.00 0.00 36.38 34.52 3cm4 s VAL 294 CO 0.30 -0.59 1.20 0.00 -0.31 0.00 0.00 175.10 175.70 3cm4 s ALA 295 N -2.97 3.43 -0.83 1.32 0.00 0.48 -1.02 121.76 122.18 3cm4 s ALA 295 Ca 0.23 0.94 0.23 0.00 0.00 0.00 0.00 51.96 53.35 3cm4 s ALA 295 Cb -0.01 -3.42 0.06 0.00 0.00 0.00 0.00 23.12 19.75 3cm4 s ALA 295 CO 0.07 -0.39 1.06 -3.47 0.00 0.00 0.00 175.76 173.04 3cm4 n ASP 296 N 2.81 0.70 -3.95 0.00 2.03 0.19 -0.51 116.55 117.81 3cm4 n ASP 296 Ca 0.05 -0.50 -0.09 0.00 0.52 0.00 0.00 54.79 54.78 3cm4 n ASP 296 Cb 0.45 0.77 -0.08 0.00 -0.72 0.00 0.00 41.12 41.54 3cm4 n ASP 296 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3cm4 s LYS 297 N -3.09 1.01 0.22 -0.67 1.02 -1.21 -4.80 119.74 112.22 3cm4 s LYS 297 Ca 0.07 -1.14 -0.31 0.00 0.02 0.00 0.00 55.97 54.61 3cm4 s LYS 297 Cb 0.16 0.34 -0.12 0.00 -0.52 0.00 0.00 37.83 37.70 3cm4 s LYS 297 CO 0.80 -0.34 1.67 -0.51 -0.92 0.00 0.00 175.35 176.05 3cm4 s ASP 298 N -2.94 6.41 -0.17 2.83 1.11 -1.26 -3.44 116.67 119.21 3cm4 s ASP 298 Ca 0.14 2.85 0.01 0.00 0.18 0.00 0.00 52.55 55.72 3cm4 s ASP 298 Cb 0.04 -2.61 0.02 0.00 1.07 0.00 0.00 42.92 41.45 3cm4 s ASP 298 CO -0.04 -0.94 -0.18 -0.63 1.18 0.00 0.00 175.17 174.57 3cm4 s ILE 299 N 0.89 1.87 0.46 0.77 1.01 0.00 -4.92 121.20 121.29 3cm4 s ILE 299 Ca 0.71 -0.83 -0.21 0.00 0.00 0.00 0.00 60.65 60.32 3cm4 s ILE 299 Cb -0.48 -1.71 -0.08 0.00 0.01 0.00 0.00 42.46 40.19 3cm4 s ILE 299 CO 0.36 0.50 1.05 -0.54 0.00 0.00 0.00 174.94 176.31 3cm4 s LYS 300 N 1.37 3.88 0.06 2.79 1.02 -1.26 -0.55 119.74 127.04 3cm4 s LYS 300 Ca 0.05 1.43 -0.37 0.00 0.02 0.00 0.00 55.97 57.09 3cm4 s LYS 300 Cb -0.13 -2.22 -0.17 0.00 -0.52 0.00 0.00 37.83 34.79 3cm4 s LYS 300 CO -0.12 -0.38 1.36 1.17 -0.92 0.00 0.00 175.35 176.46 3cm4 n LYS 301 N -0.72 1.10 -0.11 1.68 4.81 -1.25 -1.55 118.16 122.12 3cm4 n LYS 301 Ca 0.08 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 3cm4 n LYS 301 Cb 0.51 -2.04 0.00 0.00 0.02 0.00 0.00 35.03 33.53 3cm4 n LYS 301 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cm4 n GLY 302 N 2.60 1.60 3.83 3.14 0.00 0.31 -4.97 105.19 111.69 3cm4 n GLY 302 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3cm4 n GLY 302 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cm4 s GLU 303 N -0.41 3.97 0.14 1.61 0.41 -0.59 -4.69 118.70 119.14 3cm4 s GLU 303 Ca 0.00 1.04 -0.26 0.00 -0.41 0.00 0.00 54.97 55.35 3cm4 s GLU 303 Cb 0.00 -2.14 -0.07 0.00 -1.78 0.00 0.00 34.13 30.14 3cm4 s GLU 303 CO 0.00 -0.26 0.79 -0.51 -0.49 0.00 0.00 175.26 174.79 3cm4 s LEU 304 N -3.82 4.57 0.37 1.80 1.43 -1.26 -1.12 118.68 120.65 3cm4 s LEU 304 Ca 0.61 1.63 -0.25 0.00 -1.03 0.00 0.00 54.13 55.08 3cm4 s LEU 304 Cb -0.10 -3.31 -0.09 0.00 0.03 0.00 0.00 46.19 42.72 3cm4 s LEU 304 CO 0.26 0.16 1.04 -0.76 0.23 0.00 0.00 176.35 177.28 3cm4 s LEU 305 N -0.89 4.22 0.29 1.79 1.43 0.56 -4.90 118.68 121.17 3cm4 s LEU 305 Ca 0.37 2.04 -0.16 0.00 -1.03 0.00 0.00 54.13 55.35 3cm4 s LEU 305 Cb -0.23 -4.09 0.02 0.00 0.03 0.00 0.00 46.19 41.91 3cm4 s LEU 305 CO 0.26 -0.39 0.63 -0.94 0.23 0.00 0.00 176.35 176.13 3cm4 s SER 306 N -1.49 -0.08 0.63 2.29 1.04 -1.26 -0.45 113.70 114.38 3cm4 s SER 306 Ca 0.55 -0.86 0.41 0.00 0.48 0.00 0.00 55.95 56.53 3cm4 s SER 306 Cb -0.23 0.69 2.25 0.00 0.10 0.00 0.00 66.02 68.83 3cm4 s SER 306 CO 0.29 -1.32 2.27 1.23 0.98 0.00 0.00 173.24 176.68 3cm4 h GLY 307 N 2.10 0.00 1.17 7.32 0.00 -1.96 -1.80 103.07 109.90 3cm4 h GLY 307 Ca -0.24 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.81 3cm4 h GLY 307 CO 0.31 0.00 -1.58 -0.55 0.00 0.00 0.00 176.54 174.72 3cm4 h ASP 308 N 0.00 0.08 -0.09 0.19 3.32 -1.98 -3.37 116.42 114.56 3cm4 h ASP 308 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3cm4 h ASP 308 Cb 0.04 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3cm4 h ASP 308 CO 0.00 1.12 0.00 -0.46 -1.72 0.00 0.00 179.24 178.18 3cm4 n ASN 309 N -3.18 2.63 -4.44 6.45 2.04 -1.11 -4.78 115.26 112.87 3cm4 n ASN 309 Ca -0.15 -1.78 -0.30 0.00 -0.44 0.00 0.00 54.58 51.91 3cm4 n ASN 309 Cb 1.03 -0.05 -0.13 0.00 -2.53 0.00 0.00 39.78 38.10 3cm4 n ASN 309 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 3cm4 s LEU 310 N -1.43 2.54 0.00 -4.53 1.43 -0.69 0.57 118.68 116.57 3cm4 s LEU 310 Ca 0.23 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 3cm4 s LEU 310 Cb 0.16 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.91 3cm4 s LEU 310 CO 0.23 0.23 0.00 1.87 0.23 0.00 0.00 176.35 178.90 3cm4 n TRP 311 N 1.31 -0.24 -4.21 0.29 -0.00 -0.19 -4.68 117.44 109.72 3cm4 n TRP 311 Ca -0.16 0.00 -0.16 0.00 -0.00 0.00 0.00 57.50 57.17 3cm4 n TRP 311 Cb 0.52 0.00 -0.14 0.00 -0.00 0.00 0.00 31.31 31.70 3cm4 n TRP 311 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 3cm4 s VAL 312 N -2.16 0.56 -0.01 5.87 -7.23 -1.26 -0.46 120.40 115.71 3cm4 s VAL 312 Ca 0.00 -0.48 -0.18 0.00 -1.81 0.00 0.00 61.98 59.51 3cm4 s VAL 312 Cb 0.00 -0.51 0.03 0.00 0.56 0.00 0.00 36.38 36.47 3cm4 s VAL 312 CO 0.00 0.03 0.39 -0.54 -0.31 0.00 0.00 175.10 174.68 3cm4 s LYS 313 N -0.50 0.79 0.72 4.82 1.02 0.16 -4.89 119.74 121.87 3cm4 s LYS 313 Ca 0.00 -0.17 -0.15 0.00 0.02 0.00 0.00 55.97 55.67 3cm4 s LYS 313 Cb -0.04 0.36 0.03 0.00 -0.52 0.00 0.00 37.83 37.66 3cm4 s LYS 313 CO -0.00 -0.24 1.21 1.03 -0.92 0.00 0.00 175.35 176.43 3cm4 s ARG 314 N -1.61 2.19 0.08 1.68 0.52 -1.26 0.19 118.95 120.74 3cm4 s ARG 314 Ca -0.11 1.76 -0.00 0.00 -0.52 0.00 0.00 55.73 56.86 3cm4 s ARG 314 Cb -0.03 -1.84 0.02 0.00 0.52 0.00 0.00 34.95 33.62 3cm4 s ARG 314 CO 0.03 -1.79 0.11 -0.35 0.02 0.00 0.00 175.30 173.32 3cm4 n PRO 315 N -2.65 0.45 -0.47 3.54 -0.04 -1.26 -4.87 135.00 129.71 3cm4 n PRO 315 Ca 0.13 -0.27 0.04 0.00 -0.04 0.00 0.00 63.50 63.36 3cm4 n PRO 315 Cb 0.50 -0.08 0.23 0.00 -0.04 0.00 0.00 33.50 34.11 3cm4 n PRO 315 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cm4 n GLY 316 N 4.19 2.15 0.99 0.55 0.00 -0.47 -3.39 105.19 109.20 3cm4 n GLY 316 Ca 0.02 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.63 3cm4 n GLY 316 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cm4 n ASN 317 N 0.41 2.93 -4.75 1.61 6.94 -1.26 -4.90 115.26 116.24 3cm4 n ASN 317 Ca 0.16 -1.94 -0.31 0.00 -0.02 0.00 0.00 54.58 52.47 3cm4 n ASN 317 Cb 0.73 -0.27 0.11 0.00 -2.36 0.00 0.00 39.78 37.99 3cm4 n ASN 317 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3cm4 s GLY 318 N -1.31 1.67 0.42 4.83 0.00 -1.26 -4.93 107.32 106.74 3cm4 s GLY 318 Ca 0.37 0.31 0.12 0.00 0.00 0.00 0.00 44.72 45.53 3cm4 s GLY 318 CO 0.28 0.68 1.95 -0.55 0.00 0.00 0.00 173.10 175.47 3cm4 h ASP 319 N -1.30 0.09 -3.22 1.64 3.45 -1.92 -3.40 116.42 111.77 3cm4 h ASP 319 Ca -0.44 -0.02 -0.64 0.00 0.43 0.00 0.00 57.03 56.37 3cm4 h ASP 319 Cb 1.24 -0.02 -0.34 0.00 -0.56 0.00 0.00 39.33 39.64 3cm4 h ASP 319 CO 0.50 0.27 -0.85 -0.36 -1.57 0.00 0.00 179.24 177.22 3cm4 s PHE 320 N -4.65 2.39 0.62 4.55 0.08 -1.26 -4.94 117.98 114.76 3cm4 s PHE 320 Ca -0.04 -1.19 -0.10 0.00 0.12 0.00 0.00 56.93 55.72 3cm4 s PHE 320 Cb 0.16 -1.66 -0.02 0.00 -0.57 0.00 0.00 43.02 40.92 3cm4 s PHE 320 CO 0.71 -0.57 1.00 -1.54 -0.10 0.00 0.00 175.22 174.72 3cm4 s SER 321 N 0.92 5.99 0.55 1.36 1.04 -1.26 -0.71 113.70 121.58 3cm4 s SER 321 Ca -0.06 1.22 0.30 0.00 0.48 0.00 0.00 55.95 57.89 3cm4 s SER 321 Cb -0.15 -2.24 1.47 0.00 0.10 0.00 0.00 66.02 65.20 3cm4 s SER 321 CO -0.03 -0.96 1.90 1.62 0.98 0.00 0.00 173.24 176.75 3cm4 h VAL 322 N -0.31 0.54 -0.07 5.02 3.04 -1.69 0.17 116.25 122.95 3cm4 h VAL 322 Ca -0.45 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.23 3cm4 h VAL 322 Cb 1.21 0.58 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 3cm4 h VAL 322 CO 0.62 0.00 -0.02 -1.13 -1.01 0.00 0.00 177.57 176.03 3cm4 h ASN 323 N 0.00 0.08 -0.63 3.17 -0.73 -1.92 -2.66 115.58 112.89 3cm4 h ASN 323 Ca 0.36 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.53 3cm4 h ASN 323 Cb 1.53 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 40.10 3cm4 h ASN 323 CO -0.00 0.13 0.00 -0.62 -0.37 0.00 0.00 177.43 176.57 3cm4 n GLU 324 N -4.45 2.66 -0.04 6.67 1.02 0.58 -4.70 120.64 122.38 3cm4 n GLU 324 Ca -0.02 -2.34 -0.13 0.00 -0.02 0.00 0.00 57.16 54.65 3cm4 n GLU 324 Cb 0.14 -1.56 -0.07 0.00 -0.02 0.00 0.00 31.44 29.93 3cm4 n GLU 324 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3cm4 h TYR 325 N 3.72 -1.35 0.00 -0.32 3.20 -1.42 -2.67 116.97 118.13 3cm4 h TYR 325 Ca 0.00 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 3cm4 h TYR 325 Cb 0.94 0.62 -0.00 0.00 1.54 0.00 0.00 36.73 39.83 3cm4 h TYR 325 CO 0.48 -0.49 -0.12 0.93 -1.64 0.00 0.00 178.16 177.31 3cm4 h GLU 326 N -0.48 0.00 0.00 1.82 5.08 -1.85 -2.84 114.58 116.32 3cm4 h GLU 326 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3cm4 h GLU 326 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3cm4 h GLU 326 CO -0.46 0.12 0.00 1.79 -1.00 0.00 0.00 179.01 179.47 3cm4 h THR 327 N 0.00 0.00 0.00 1.13 1.35 -1.82 -2.53 112.91 111.04 3cm4 h THR 327 Ca -0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3cm4 h THR 327 Cb 0.66 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 3cm4 h THR 327 CO 0.02 0.00 -0.19 -0.07 -0.25 0.00 0.00 175.52 175.03 3cm4 h LEU 328 N 0.00 0.00 -9.51 3.87 3.38 -1.54 -3.45 115.31 108.05 3cm4 h LEU 328 Ca 0.00 -0.06 -0.53 0.00 0.09 0.00 0.00 57.88 57.38 3cm4 h LEU 328 Cb 0.34 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.13 3cm4 h LEU 328 CO 0.00 0.03 1.11 0.49 0.09 0.00 0.00 178.44 180.16 3cm4 n PHE 329 N -2.25 2.63 0.00 1.13 0.99 -0.96 -1.98 117.46 117.02 3cm4 n PHE 329 Ca 0.05 -0.14 0.00 0.00 -0.00 0.00 0.00 57.45 57.35 3cm4 n PHE 329 Cb 0.44 -2.73 0.00 0.00 -1.00 0.00 0.00 39.48 36.19 3cm4 n PHE 329 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3cm4 n GLY 330 N 4.23 2.36 3.70 1.37 0.00 0.41 -4.98 105.19 112.28 3cm4 n GLY 330 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3cm4 n GLY 330 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cm4 s LYS 331 N -0.79 1.49 -0.15 1.61 -0.14 -0.84 -4.67 119.74 116.25 3cm4 s LYS 331 Ca 0.00 1.50 -0.03 0.00 -1.36 0.00 0.00 55.97 56.07 3cm4 s LYS 331 Cb 0.00 -1.78 -0.03 0.00 -1.68 0.00 0.00 37.83 34.34 3cm4 s LYS 331 CO 0.00 -2.27 -0.04 0.08 -0.76 0.00 0.00 175.35 172.35 3cm4 s VAL 332 N -2.60 3.84 -0.03 3.17 1.01 -1.26 -0.33 120.40 124.20 3cm4 s VAL 332 Ca 0.67 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 3cm4 s VAL 332 Cb -0.22 -2.67 -0.08 0.00 0.00 0.00 0.00 36.38 33.40 3cm4 s VAL 332 CO 0.55 0.50 2.04 0.00 0.00 0.00 0.00 175.10 178.20 3cm4 n ALA 333 N 3.41 1.62 0.18 5.51 0.00 -0.27 -1.11 120.51 129.85 3cm4 n ALA 333 Ca -0.17 0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.42 3cm4 n ALA 333 Cb 0.53 -2.74 0.23 0.00 0.00 0.00 0.00 19.45 17.46 3cm4 n ALA 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cm4 h ALA 334 N 11.75 0.86 -3.00 0.00 0.00 0.00 0.89 119.26 129.77 3cm4 h ALA 334 Ca -0.48 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.01 3cm4 h ALA 334 Cb 1.24 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3cm4 h ALA 334 CO 0.95 0.46 0.03 0.00 0.00 0.00 0.00 179.25 180.68 3cm4 s ASN 336 N -2.19 6.37 -0.12 0.00 0.01 -1.26 -3.84 114.94 113.90 3cm4 s ASN 336 Ca 0.13 2.98 0.02 0.00 -0.71 0.00 0.00 52.86 55.28 3cm4 s ASN 336 Cb -0.02 -2.65 0.01 0.00 0.41 0.00 0.00 41.25 39.01 3cm4 s ASN 336 CO 0.09 -0.89 -0.18 -0.63 -1.51 0.00 0.00 177.10 173.99 3cm4 s ILE 337 N -0.48 1.73 0.21 0.60 1.01 0.28 -4.93 121.20 119.62 3cm4 s ILE 337 Ca 0.59 -0.78 -0.30 0.00 0.00 0.00 0.00 60.65 60.16 3cm4 s ILE 337 Cb -0.47 -1.56 -0.08 0.00 0.01 0.00 0.00 42.46 40.36 3cm4 s ILE 337 CO 0.54 0.49 0.96 -0.13 0.00 0.00 0.00 174.94 176.80 3cm4 s ARG 338 N 0.95 4.80 0.14 2.79 0.52 -1.26 -0.82 118.95 126.08 3cm4 s ARG 338 Ca -0.06 1.50 -0.34 0.00 -0.52 0.00 0.00 55.73 56.31 3cm4 s ARG 338 Cb -0.15 -3.30 -0.15 0.00 0.52 0.00 0.00 34.95 31.87 3cm4 s ARG 338 CO -0.02 0.41 1.38 1.17 0.02 0.00 0.00 175.30 178.26 3cm4 n LYS 339 N 1.82 1.54 0.00 3.54 4.81 -1.22 -1.98 118.16 126.67 3cm4 n LYS 339 Ca -0.01 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 3cm4 n LYS 339 Cb 0.47 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.32 3cm4 n LYS 339 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cm4 n GLY 340 N 2.62 2.43 3.77 3.14 0.00 0.33 -4.93 105.19 112.55 3cm4 n GLY 340 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3cm4 n GLY 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cm4 s ALA 341 N -2.27 3.28 0.32 4.61 0.00 -0.84 -4.68 121.76 122.18 3cm4 s ALA 341 Ca 0.00 0.74 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 3cm4 s ALA 341 Cb 0.00 -3.27 -0.11 0.00 0.00 0.00 0.00 23.12 19.74 3cm4 s ALA 341 CO 0.00 -0.05 1.50 -0.65 0.00 0.00 0.00 175.76 176.56 3cm4 s GLN 342 N -1.75 4.17 -0.08 0.00 -0.21 -1.26 -0.39 119.66 120.14 3cm4 s GLN 342 Ca 0.48 2.49 -0.30 0.00 0.02 0.00 0.00 55.36 58.05 3cm4 s GLN 342 Cb -0.26 -3.02 -0.03 0.00 1.00 0.00 0.00 33.01 30.69 3cm4 s GLN 342 CO 0.33 -0.52 1.30 0.42 -2.12 0.00 0.00 175.29 174.71 3cm4 s ILE 343 N -0.49 4.10 0.18 1.08 -1.09 -0.41 -4.85 121.20 119.72 3cm4 s ILE 343 Ca 0.58 1.40 0.01 0.00 -2.23 0.00 0.00 60.65 60.41 3cm4 s ILE 343 Cb -0.45 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.49 3cm4 s ILE 343 CO 0.53 -0.05 0.34 -0.54 -1.23 0.00 0.00 174.94 173.98 3cm4 s LYS 344 N 2.84 3.47 0.47 2.79 1.02 -1.26 -3.93 119.74 125.14 3cm4 s LYS 344 Ca 0.58 -0.51 0.19 0.00 0.02 0.00 0.00 55.97 56.25 3cm4 s LYS 344 Cb -0.26 -2.90 1.18 0.00 -0.52 0.00 0.00 37.83 35.33 3cm4 s LYS 344 CO 0.21 0.46 1.97 0.87 -0.92 0.00 0.00 175.35 177.94 3cm4 h LYS 345 N 1.95 0.24 -0.00 1.68 1.57 -1.95 0.10 116.57 120.16 3cm4 h LYS 345 Ca -0.49 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3cm4 h LYS 345 Cb 1.20 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3cm4 h LYS 345 CO 0.67 0.16 -0.01 0.25 -0.57 0.00 0.00 179.45 179.95 3cm4 n THR 346 N -4.44 0.00 0.74 -0.16 -2.24 -1.26 -3.40 114.28 103.52 3cm4 n THR 346 Ca 0.11 -0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.02 3cm4 n THR 346 Cb 0.50 -0.47 0.46 0.00 -2.10 0.00 0.00 70.33 68.72 3cm4 n THR 346 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3cm4 n ASP 347 N -1.33 0.57 -4.43 3.42 10.43 0.02 -4.63 116.55 120.60 3cm4 n ASP 347 Ca 0.12 0.53 -0.30 0.00 2.57 0.00 0.00 54.79 57.72 3cm4 n ASP 347 Cb 0.27 -0.67 -0.13 0.00 1.84 0.00 0.00 41.12 42.43 3cm4 n ASP 347 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 3cm4 s ILE 348 N -3.07 2.53 -2.00 0.53 -4.36 -1.22 0.69 121.20 114.30 3cm4 s ILE 348 Ca 0.12 -1.49 0.18 0.00 -0.26 0.00 0.00 60.65 59.20 3cm4 s ILE 348 Cb 0.14 -2.10 0.52 0.00 1.25 0.00 0.00 42.46 42.28 3cm4 s ILE 348 CO 0.58 0.20 1.49 -0.62 0.24 0.00 0.00 174.94 176.83