#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4v s PHE 26 N 0.00 -0.19 0.58 0.00 0.08 -1.26 -5.00 117.98 112.19 1i4v s PHE 26 Ca 0.00 0.01 0.27 0.00 0.12 0.00 0.00 56.93 57.33 1i4v s PHE 26 Cb 0.00 -0.46 1.64 0.00 -0.57 0.00 0.00 43.02 43.63 1i4v s PHE 26 CO 0.00 -0.65 2.15 -1.35 -0.10 0.00 0.00 175.22 175.27 1i4v h PRO 27 N 8.33 0.00 -5.91 0.24 0.10 -2.11 -3.46 132.00 129.19 1i4v h PRO 27 Ca -0.17 0.00 -0.20 0.00 0.10 0.00 0.00 66.00 65.73 1i4v h PRO 27 Cb 1.13 0.00 0.01 0.00 0.10 0.00 0.00 31.00 32.24 1i4v h PRO 27 CO 0.30 0.00 -0.46 0.43 0.10 0.00 0.00 178.00 178.37 1i4v n SER 28 N -3.96 -6.59 -0.09 -2.05 7.64 -1.26 -4.89 113.62 102.42 1i4v n SER 28 Ca 0.00 -0.46 -0.09 0.00 1.01 0.00 0.00 58.87 59.33 1i4v n SER 28 Cb 0.23 -3.93 -0.02 0.00 -1.01 0.00 0.00 64.21 59.49 1i4v n SER 28 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1i4v h PRO 29 N 0.01 0.40 0.00 1.43 0.13 -2.06 -3.46 132.00 128.45 1i4v h PRO 29 Ca -0.28 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1i4v h PRO 29 Cb 1.17 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1i4v h PRO 29 CO 0.34 0.32 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 1i4v n ALA 30 N -2.21 0.00 -2.99 -0.56 0.00 -1.26 -5.10 120.51 108.39 1i4v n ALA 30 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1i4v n ALA 30 Cb 0.06 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.52 1i4v n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i4v n ALA 31 N -2.35 -2.87 -3.69 0.00 0.00 -1.26 -5.02 120.51 105.32 1i4v n ALA 31 Ca 0.00 0.69 -0.15 0.00 0.00 0.00 0.00 53.44 53.98 1i4v n ALA 31 Cb 0.00 -2.35 -0.15 0.00 0.00 0.00 0.00 19.45 16.95 1i4v n ALA 31 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1i4v s ASP 32 N -1.92 0.39 -1.14 0.00 -1.08 -1.26 -4.92 116.67 106.74 1i4v s ASP 32 Ca 0.18 0.40 -0.15 0.00 -0.52 0.00 0.00 52.55 52.46 1i4v s ASP 32 Cb -0.04 0.36 -0.02 0.00 -1.46 0.00 0.00 42.92 41.76 1i4v s ASP 32 CO 0.70 -0.22 0.80 -1.22 0.52 0.00 0.00 175.17 175.76 1i4v n TYR 33 N 4.99 -2.03 -3.20 -5.34 4.01 -1.26 -4.90 117.16 109.43 1i4v n TYR 33 Ca -0.11 0.60 -0.40 0.00 -0.16 0.00 0.00 57.90 57.82 1i4v n TYR 33 Cb 0.50 -3.71 -0.01 0.00 -0.31 0.00 0.00 39.34 35.81 1i4v n TYR 33 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1i4v n VAL 34 N -3.98 4.47 -3.61 -0.72 0.31 -1.26 -4.96 118.33 108.59 1i4v n VAL 34 Ca -0.12 -5.64 -0.40 0.00 -0.01 0.00 0.00 64.34 58.18 1i4v n VAL 34 Cb 0.61 -2.20 -0.08 0.00 -0.91 0.00 0.00 33.84 31.26 1i4v n VAL 34 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1i4v s GLU 35 N -2.34 2.71 2.79 5.55 2.12 -1.26 -5.03 118.70 123.23 1i4v s GLU 35 Ca 0.32 -2.28 0.00 0.00 0.36 0.00 0.00 54.97 53.37 1i4v s GLU 35 Cb 0.03 -3.91 0.00 0.00 0.26 0.00 0.00 34.13 30.51 1i4v s GLU 35 CO 0.03 -1.19 0.00 0.94 -0.54 0.00 0.00 175.26 174.50 1i4v n GLN 36 N 4.01 0.00 -4.53 4.30 -0.06 -1.26 -4.71 117.38 115.12 1i4v n GLN 36 Ca 0.04 0.00 -0.25 0.00 -2.00 0.00 0.00 57.00 54.79 1i4v n GLN 36 Cb 0.41 0.00 -0.14 0.00 -4.06 0.00 0.00 30.24 26.45 1i4v n GLN 36 CO 0.00 0.00 0.00 0.50 -0.20 0.00 0.00 177.06 177.36 1i4v s ARG 37 N 0.00 1.32 -0.38 3.69 3.52 -1.26 -5.04 118.95 120.79 1i4v s ARG 37 Ca 0.00 -1.02 0.08 0.00 -0.13 0.00 0.00 55.73 54.66 1i4v s ARG 37 Cb 0.00 -1.49 0.33 0.00 -1.56 0.00 0.00 34.95 32.23 1i4v s ARG 37 CO 0.00 0.37 1.30 1.51 -0.81 0.00 0.00 175.30 177.67 1i4v n ILE 38 N 1.60 0.00 -2.17 4.11 3.06 -1.26 -5.02 119.36 119.67 1i4v n ILE 38 Ca -0.18 -1.34 -0.41 0.00 -2.50 0.00 0.00 62.75 58.32 1i4v n ILE 38 Cb 0.53 0.92 0.00 0.00 0.54 0.00 0.00 39.64 41.63 1i4v n ILE 38 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1i4v n ASP 39 N -0.58 6.85 -0.23 9.51 -0.08 -1.26 -4.77 116.55 126.00 1i4v n ASP 39 Ca -0.08 -3.15 0.03 0.00 -1.51 0.00 0.00 54.79 50.08 1i4v n ASP 39 Cb 0.81 -1.40 0.15 0.00 2.34 0.00 0.00 41.12 43.02 1i4v n ASP 39 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1i4v h LEU 40 N 6.40 0.20 -0.97 -2.67 5.85 -1.96 0.38 115.31 122.54 1i4v h LEU 40 Ca 0.56 0.10 0.11 0.00 0.84 0.00 0.00 57.88 59.50 1i4v h LEU 40 Cb 0.44 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.48 1i4v h LEU 40 CO 1.52 0.09 0.60 -0.55 -0.34 0.00 0.00 178.44 179.76 1i4v h ASN 41 N 0.39 0.89 0.62 1.25 -1.07 -1.97 0.66 115.58 116.35 1i4v h ASN 41 Ca 0.37 0.04 0.00 0.00 0.07 0.00 0.00 56.30 56.78 1i4v h ASN 41 Cb 0.53 -0.14 0.00 0.00 -2.07 0.00 0.00 38.32 36.65 1i4v h ASN 41 CO -0.38 0.49 -0.50 1.67 0.07 0.00 0.00 177.43 178.78 1i4v n GLN 42 N -4.63 0.07 -0.09 4.14 7.27 -0.05 -2.71 117.38 121.38 1i4v n GLN 42 Ca 0.17 0.02 -0.11 0.00 0.07 0.00 0.00 57.00 57.16 1i4v n GLN 42 Cb 0.32 -1.54 -0.13 0.00 2.41 0.00 0.00 30.24 31.30 1i4v n GLN 42 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1i4v n LEU 43 N -1.64 0.90 0.02 1.69 -0.00 0.11 -4.50 117.00 113.58 1i4v n LEU 43 Ca 0.05 -0.04 0.11 0.00 -0.00 0.00 0.00 56.01 56.14 1i4v n LEU 43 Cb 0.36 0.07 -0.02 0.00 -0.00 0.00 0.00 43.42 43.82 1i4v n LEU 43 CO 0.35 0.56 -0.12 0.18 -0.00 0.00 0.00 177.39 178.36 1i4v n LEU 44 N -2.79 0.57 -4.85 1.47 4.32 0.22 -4.95 117.00 110.99 1i4v n LEU 44 Ca -0.32 -0.04 -0.26 0.00 -0.02 0.00 0.00 56.01 55.37 1i4v n LEU 44 Cb 1.02 -0.07 -0.03 0.00 -1.62 0.00 0.00 43.42 42.72 1i4v n LEU 44 CO 0.32 0.04 -0.04 -0.63 -1.22 0.00 0.00 177.39 175.87 1i4v s ILE 45 N -3.24 1.84 -0.04 -0.08 1.01 -1.10 -5.05 121.20 114.55 1i4v s ILE 45 Ca 0.02 -1.58 0.04 0.00 0.00 0.00 0.00 60.65 59.13 1i4v s ILE 45 Cb 0.14 -2.42 -0.06 0.00 0.01 0.00 0.00 42.46 40.13 1i4v s ILE 45 CO 0.82 0.00 0.10 0.00 0.00 0.00 0.00 174.94 175.86 1i4v n GLN 46 N -1.57 1.21 -4.43 2.79 1.13 -1.26 -4.79 117.38 110.46 1i4v n GLN 46 Ca -0.03 -0.03 -0.27 0.00 -1.94 0.00 0.00 57.00 54.74 1i4v n GLN 46 Cb 0.64 -1.01 -0.11 0.00 0.11 0.00 0.00 30.24 29.87 1i4v n GLN 46 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1i4v s HIS 47 N -2.09 2.31 0.06 1.08 3.76 -1.26 -5.05 115.29 114.09 1i4v s HIS 47 Ca -0.01 -0.35 -0.28 0.00 -0.15 0.00 0.00 55.06 54.27 1i4v s HIS 47 Cb 0.03 -1.13 -0.17 0.00 1.11 0.00 0.00 32.58 32.41 1i4v s HIS 47 CO 0.16 0.52 1.55 -1.00 -0.85 0.00 0.00 174.74 175.12 1i4v h PRO 48 N 3.10 -0.50 -1.66 8.40 0.14 -1.96 -3.39 132.00 136.14 1i4v h PRO 48 Ca -0.46 0.03 -0.44 0.00 0.14 0.00 0.00 66.00 65.28 1i4v h PRO 48 Cb 1.21 0.11 -0.36 0.00 0.14 0.00 0.00 31.00 32.11 1i4v h PRO 48 CO 0.49 -0.28 -1.07 0.43 0.14 0.00 0.00 178.00 177.72 1i4v n SER 49 N -5.27 0.28 -2.72 1.44 7.64 -1.26 -4.92 113.62 108.80 1i4v n SER 49 Ca -0.11 -3.13 -0.04 0.00 1.01 0.00 0.00 58.87 56.60 1i4v n SER 49 Cb 0.25 -0.18 0.08 0.00 -1.01 0.00 0.00 64.21 63.35 1i4v n SER 49 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i4v n ALA 50 N 0.30 2.55 -2.87 -0.43 0.00 -1.26 -5.09 120.51 113.70 1i4v n ALA 50 Ca 0.22 -2.01 -0.18 0.00 0.00 0.00 0.00 53.44 51.47 1i4v n ALA 50 Cb 0.67 -0.90 -0.15 0.00 0.00 0.00 0.00 19.45 19.06 1i4v n ALA 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1i4v s THR 51 N -1.64 0.60 0.16 0.00 2.01 -1.26 -2.24 115.64 113.27 1i4v s THR 51 Ca 0.21 -0.30 0.08 0.00 0.31 0.00 0.00 61.69 61.99 1i4v s THR 51 Cb 0.41 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 72.35 1i4v s THR 51 CO -0.06 0.18 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.65 1i4v s TYR 52 N 0.01 2.68 0.10 4.92 1.51 0.24 -4.68 117.35 122.13 1i4v s TYR 52 Ca 0.00 -0.20 -0.03 0.00 -1.01 0.00 0.00 57.07 55.83 1i4v s TYR 52 Cb -0.05 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.43 1i4v s TYR 52 CO -0.00 0.48 0.08 -0.59 -1.11 0.00 0.00 175.55 174.41 1i4v s PHE 53 N -1.55 0.57 -0.21 2.71 -0.12 -1.26 0.12 117.98 118.22 1i4v s PHE 53 Ca 0.24 -1.01 -0.18 0.00 -0.05 0.00 0.00 56.93 55.94 1i4v s PHE 53 Cb -0.10 -0.32 0.06 0.00 -0.63 0.00 0.00 43.02 42.03 1i4v s PHE 53 CO 0.15 -0.50 0.56 0.54 -0.05 0.00 0.00 175.22 175.91 1i4v s VAL 54 N -3.96 -0.00 0.06 -2.49 0.11 -1.11 -4.94 120.40 108.06 1i4v s VAL 54 Ca 0.14 0.01 -0.31 0.00 -2.93 0.00 0.00 61.98 58.90 1i4v s VAL 54 Cb 0.07 -0.78 -0.06 0.00 -1.53 0.00 0.00 36.38 34.07 1i4v s VAL 54 CO -0.04 0.01 1.27 -0.75 -3.33 0.00 0.00 175.10 172.25 1i4v s LYS 55 N 0.63 4.38 -0.68 1.54 2.36 -1.26 -2.30 119.74 124.41 1i4v s LYS 55 Ca -0.03 1.86 -0.27 0.00 -2.55 0.00 0.00 55.97 54.98 1i4v s LYS 55 Cb -0.05 -3.37 0.02 0.00 -1.05 0.00 0.00 37.83 33.38 1i4v s LYS 55 CO -0.04 -0.36 1.34 0.00 1.55 0.00 0.00 175.35 177.84 1i4v s ALA 56 N 1.35 2.74 -0.40 3.13 0.00 -1.10 -4.85 121.76 122.64 1i4v s ALA 56 Ca 0.61 -1.11 0.12 0.00 0.00 0.00 0.00 51.96 51.57 1i4v s ALA 56 Cb -0.31 -4.21 0.37 0.00 0.00 0.00 0.00 23.12 18.97 1i4v s ALA 56 CO 0.28 -3.19 0.80 0.45 0.00 0.00 0.00 175.76 174.11 1i4v n SER 57 N 9.57 1.58 0.00 0.00 2.88 -1.26 -2.62 113.62 123.76 1i4v n SER 57 Ca 0.07 -3.09 0.00 0.00 -1.33 0.00 0.00 58.87 54.52 1i4v n SER 57 Cb 0.49 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 1i4v n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1i4v n GLY 58 N 0.13 0.90 0.85 0.46 0.00 -1.26 -4.82 105.19 101.45 1i4v n GLY 58 Ca 0.24 0.07 -0.05 0.00 0.00 0.00 0.00 46.02 46.28 1i4v n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i4v n ASP 59 N 0.00 -0.71 0.07 1.61 5.75 -1.26 -3.51 116.55 118.49 1i4v n ASP 59 Ca 0.00 -1.63 0.13 0.00 -0.01 0.00 0.00 54.79 53.28 1i4v n ASP 59 Cb 0.00 0.21 0.48 0.00 -1.03 0.00 0.00 41.12 40.78 1i4v n ASP 59 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1i4v n SER 60 N 0.00 0.53 -2.66 -1.12 3.41 -1.26 -4.26 113.62 108.26 1i4v n SER 60 Ca -0.20 0.55 -0.04 0.00 -0.26 0.00 0.00 58.87 58.92 1i4v n SER 60 Cb 0.62 -0.69 0.12 0.00 -0.26 0.00 0.00 64.21 63.99 1i4v n SER 60 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1i4v n MET 61 N -2.00 1.23 0.07 4.33 0.00 -1.26 -4.80 117.12 114.69 1i4v n MET 61 Ca 0.06 -1.47 0.21 0.00 0.00 0.00 0.00 57.70 56.50 1i4v n MET 61 Cb 0.39 0.18 0.74 0.00 0.00 0.00 0.00 33.22 34.53 1i4v n MET 61 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1i4v h ILE 62 N 2.84 0.42 -0.90 3.17 2.04 -1.74 0.87 117.51 124.21 1i4v h ILE 62 Ca -0.36 0.00 0.24 0.00 1.00 0.00 0.00 64.86 65.74 1i4v h ILE 62 Cb 1.29 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.98 1i4v h ILE 62 CO -0.13 0.00 0.62 -2.24 0.00 0.00 0.00 178.15 176.41 1i4v h ASP 63 N 0.00 0.19 0.05 1.72 3.04 -1.88 0.58 116.42 120.12 1i4v h ASP 63 Ca 0.21 0.02 -0.25 0.00 -3.24 0.00 0.00 57.03 53.77 1i4v h ASP 63 Cb 1.08 -0.01 0.02 0.00 -1.04 0.00 0.00 39.33 39.38 1i4v h ASP 63 CO -0.00 0.07 -1.00 1.23 -2.04 0.00 0.00 179.24 177.50 1i4v h GLY 64 N 0.19 0.73 0.00 7.15 0.00 0.59 -3.48 103.07 108.25 1i4v h GLY 64 Ca 0.45 -1.26 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1i4v h GLY 64 CO -0.09 1.11 0.00 0.61 0.00 0.00 0.00 176.54 178.17 1i4v n GLY 65 N 1.01 0.51 2.80 4.60 0.00 0.20 -4.71 105.19 109.60 1i4v n GLY 65 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1i4v n GLY 65 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1i4v s ILE 66 N -0.89 1.28 -0.55 -0.61 -5.25 -1.24 -4.71 121.20 109.23 1i4v s ILE 66 Ca 0.00 -1.78 0.07 0.00 -0.99 0.00 0.00 60.65 57.95 1i4v s ILE 66 Cb 0.00 -1.95 0.28 0.00 2.95 0.00 0.00 42.46 43.73 1i4v s ILE 66 CO 0.00 -0.69 0.74 -0.24 -1.79 0.00 0.00 174.94 172.96 1i4v n SER 67 N 4.54 2.93 -3.85 4.36 2.88 -1.26 -4.06 113.62 119.16 1i4v n SER 67 Ca 0.01 -3.30 -0.32 0.00 -1.33 0.00 0.00 58.87 53.92 1i4v n SER 67 Cb 0.41 -0.64 0.01 0.00 -0.75 0.00 0.00 64.21 63.24 1i4v n SER 67 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1i4v n ASP 68 N 0.69 -4.79 0.00 -3.46 -0.08 -1.17 -4.74 116.55 103.00 1i4v n ASP 68 Ca 0.28 -1.05 0.00 0.00 -1.51 0.00 0.00 54.79 52.51 1i4v n ASP 68 Cb 0.45 -1.99 0.00 0.00 2.34 0.00 0.00 41.12 41.92 1i4v n ASP 68 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1i4v n GLY 69 N -1.82 0.00 3.88 0.27 0.00 -1.08 -4.98 105.19 101.46 1i4v n GLY 69 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1i4v n GLY 69 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1i4v s ASP 70 N 0.00 -0.02 -0.09 1.61 1.47 -1.26 -4.64 116.67 113.75 1i4v s ASP 70 Ca 0.00 -0.37 0.02 0.00 1.18 0.00 0.00 52.55 53.38 1i4v s ASP 70 Cb 0.00 0.29 0.01 0.00 -0.34 0.00 0.00 42.92 42.88 1i4v s ASP 70 CO 0.00 -0.57 -0.14 -0.22 0.68 0.00 0.00 175.17 174.92 1i4v s LEU 71 N -3.48 1.67 0.12 2.11 1.98 -1.08 -2.71 118.68 117.28 1i4v s LEU 71 Ca 0.23 -0.38 -0.03 0.00 -2.89 0.00 0.00 54.13 51.07 1i4v s LEU 71 Cb -0.00 -0.99 -0.05 0.00 0.66 0.00 0.00 46.19 45.81 1i4v s LEU 71 CO 0.01 0.02 0.32 -0.22 -1.89 0.00 0.00 176.35 174.59 1i4v s LEU 72 N 0.89 4.30 -0.24 -0.68 0.20 -0.97 -0.79 118.68 121.39 1i4v s LEU 72 Ca -0.09 0.46 -0.04 0.00 0.69 0.00 0.00 54.13 55.15 1i4v s LEU 72 Cb -0.15 -3.18 0.08 0.00 -0.43 0.00 0.00 46.19 42.51 1i4v s LEU 72 CO 0.01 0.09 0.12 -0.63 -0.29 0.00 0.00 176.35 175.64 1i4v s ILE 73 N -1.62 -0.09 0.20 6.68 -1.09 0.32 -2.76 121.20 122.84 1i4v s ILE 73 Ca 0.39 -0.49 0.05 0.00 -2.23 0.00 0.00 60.65 58.36 1i4v s ILE 73 Cb -0.12 -0.80 -0.03 0.00 -1.58 0.00 0.00 42.46 39.92 1i4v s ILE 73 CO 0.26 -0.53 0.24 0.54 -1.23 0.00 0.00 174.94 174.23 1i4v s VAL 74 N 2.12 4.89 -0.48 2.92 0.11 0.32 0.15 120.40 130.43 1i4v s VAL 74 Ca 0.06 -1.02 -0.06 0.00 -2.93 0.00 0.00 61.98 58.03 1i4v s VAL 74 Cb -0.16 -3.57 0.13 0.00 -1.53 0.00 0.00 36.38 31.24 1i4v s VAL 74 CO -0.25 -0.21 0.32 -1.81 -3.33 0.00 0.00 175.10 169.82 1i4v s ASP 75 N -3.50 5.48 -0.70 3.54 1.11 -1.15 0.79 116.67 122.24 1i4v s ASP 75 Ca 0.33 -2.13 -0.27 0.00 0.18 0.00 0.00 52.55 50.66 1i4v s ASP 75 Cb -0.10 -1.92 0.03 0.00 1.07 0.00 0.00 42.92 42.01 1i4v s ASP 75 CO 0.26 -0.58 1.24 -0.94 1.18 0.00 0.00 175.17 176.34 1i4v s SER 76 N 2.00 6.23 0.06 0.27 1.04 -0.95 -1.29 113.70 121.06 1i4v s SER 76 Ca 0.09 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1i4v s SER 76 Cb -0.23 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.34 1i4v s SER 76 CO -0.03 -1.73 0.00 0.00 0.98 0.00 0.00 173.24 172.46 1i4v n ALA 77 N 9.07 0.00 -2.76 5.32 0.00 -1.22 -4.04 120.51 126.88 1i4v n ALA 77 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.24 1i4v n ALA 77 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 1i4v n ALA 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1i4v s ILE 78 N -2.00 5.17 -0.35 0.00 1.09 -1.26 -5.00 121.20 118.85 1i4v s ILE 78 Ca 0.00 -0.55 -0.22 0.00 -1.10 0.00 0.00 60.65 58.78 1i4v s ILE 78 Cb 0.00 -3.82 0.00 0.00 -1.06 0.00 0.00 42.46 37.58 1i4v s ILE 78 CO 0.00 -0.39 0.70 -0.89 -0.10 0.00 0.00 174.94 174.26 1i4v s THR 79 N -2.10 4.83 0.00 2.92 2.01 -1.26 -3.34 115.64 118.70 1i4v s THR 79 Ca 0.38 0.75 0.00 0.00 0.31 0.00 0.00 61.69 63.13 1i4v s THR 79 Cb -0.10 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.29 1i4v s THR 79 CO 0.32 -0.34 0.00 0.00 -0.69 0.00 0.00 174.62 173.91 1i4v n ALA 80 N 6.18 0.00 -3.10 7.40 0.00 -0.97 -4.93 120.51 125.09 1i4v n ALA 80 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 1i4v n ALA 80 Cb 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 1i4v n ALA 80 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1i4v s SER 81 N -1.94 -0.06 0.48 0.00 0.01 -1.26 -5.07 113.70 105.86 1i4v s SER 81 Ca 0.00 -0.01 -0.24 0.00 1.31 0.00 0.00 55.95 57.01 1i4v s SER 81 Cb 0.00 0.27 -0.08 0.00 0.21 0.00 0.00 66.02 66.42 1i4v s SER 81 CO 0.00 -0.28 1.29 1.41 0.41 0.00 0.00 173.24 176.07 1i4v n HIS 82 N 1.91 2.14 -1.43 2.43 8.25 -1.26 -3.27 115.22 123.99 1i4v n HIS 82 Ca -0.20 0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.73 1i4v n HIS 82 Cb 0.57 -2.36 0.00 0.00 1.12 0.00 0.00 29.99 29.31 1i4v n HIS 82 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i4v n GLY 83 N 0.80 0.97 3.23 -1.41 0.00 -1.18 -4.99 105.19 102.61 1i4v n GLY 83 Ca 0.08 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 1i4v n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i4v s ASP 84 N -2.64 -0.08 -1.17 1.61 1.01 -1.20 -5.01 116.67 109.19 1i4v s ASP 84 Ca 0.00 -0.25 -0.19 0.00 0.71 0.00 0.00 52.55 52.82 1i4v s ASP 84 Cb 0.00 0.34 -0.04 0.00 1.01 0.00 0.00 42.92 44.23 1i4v s ASP 84 CO 0.00 -0.60 1.97 0.00 0.21 0.00 0.00 175.17 176.75 1i4v n ILE 85 N 0.60 2.78 -3.33 0.77 3.06 -1.26 -3.60 119.36 118.38 1i4v n ILE 85 Ca -0.19 -2.65 -0.19 0.00 -2.50 0.00 0.00 62.75 57.22 1i4v n ILE 85 Cb 0.59 -2.37 -0.01 0.00 0.54 0.00 0.00 39.64 38.39 1i4v n ILE 85 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 1i4v s VAL 86 N 5.60 2.71 -0.19 9.51 -7.23 -1.26 -4.35 120.40 125.20 1i4v s VAL 86 Ca 0.56 -1.19 -0.20 0.00 -1.81 0.00 0.00 61.98 59.33 1i4v s VAL 86 Cb 0.09 -2.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 1i4v s VAL 86 CO 0.06 0.00 0.61 -0.51 -0.31 0.00 0.00 175.10 174.94 1i4v s ILE 87 N -2.45 5.04 0.13 -0.62 1.10 -1.26 -1.99 121.20 121.14 1i4v s ILE 87 Ca 0.51 1.15 -0.17 0.00 -0.51 0.00 0.00 60.65 61.63 1i4v s ILE 87 Cb -0.06 -3.93 -0.07 0.00 0.15 0.00 0.00 42.46 38.55 1i4v s ILE 87 CO 0.30 0.14 0.57 0.00 -2.11 0.00 0.00 174.94 173.85 1i4v s ALA 88 N 1.76 3.56 -0.10 1.50 0.00 0.32 -2.63 121.76 126.17 1i4v s ALA 88 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1i4v s ALA 88 Cb -0.16 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.39 1i4v s ALA 88 CO 0.11 0.42 -0.08 0.00 0.00 0.00 0.00 175.76 176.21 1i4v s ALA 89 N -1.34 1.27 -0.19 0.00 0.00 -0.35 -2.78 121.76 118.36 1i4v s ALA 89 Ca 0.35 -0.49 -0.09 0.00 0.00 0.00 0.00 51.96 51.72 1i4v s ALA 89 Cb -0.17 -0.83 0.07 0.00 0.00 0.00 0.00 23.12 22.19 1i4v s ALA 89 CO 0.19 -0.31 0.44 0.54 0.00 0.00 0.00 175.76 176.62 1i4v s VAL 90 N 1.51 -0.15 -1.48 0.00 0.11 -1.24 -2.83 120.40 116.32 1i4v s VAL 90 Ca 0.01 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1i4v s VAL 90 Cb -0.13 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.06 1i4v s VAL 90 CO -0.06 0.04 0.00 0.47 -3.33 0.00 0.00 175.10 172.22 1i4v n ASP 91 N 4.50 -4.00 -0.07 3.54 9.92 -1.26 -0.86 116.55 128.32 1i4v n ASP 91 Ca -0.20 0.31 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1i4v n ASP 91 Cb 0.54 -3.60 0.00 0.00 -0.64 0.00 0.00 41.12 37.42 1i4v n ASP 91 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1i4v n GLY 92 N -0.42 1.24 3.86 0.44 0.00 -1.26 -5.09 105.19 103.95 1i4v n GLY 92 Ca -0.15 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 1i4v n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i4v s GLU 93 N -2.08 2.78 -0.34 1.61 2.02 -0.04 -5.11 118.70 117.54 1i4v s GLU 93 Ca 0.00 -1.24 0.06 0.00 0.02 0.00 0.00 54.97 53.80 1i4v s GLU 93 Cb 0.00 -2.51 0.18 0.00 0.10 0.00 0.00 34.13 31.90 1i4v s GLU 93 CO 0.00 0.13 0.56 -0.06 0.02 0.00 0.00 175.26 175.91 1i4v s PHE 94 N -2.28 -1.54 0.04 1.61 0.08 -1.22 -3.67 117.98 111.00 1i4v s PHE 94 Ca 0.40 0.48 0.02 0.00 0.12 0.00 0.00 56.93 57.95 1i4v s PHE 94 Cb -0.06 0.18 -0.02 0.00 -0.57 0.00 0.00 43.02 42.54 1i4v s PHE 94 CO 0.27 -1.10 -0.07 0.95 -0.10 0.00 0.00 175.22 175.17 1i4v s THR 95 N 2.28 0.50 -0.12 0.64 -4.23 -1.12 -4.90 115.64 108.69 1i4v s THR 95 Ca 0.13 -1.06 -0.24 0.00 -1.18 0.00 0.00 61.69 59.34 1i4v s THR 95 Cb -0.09 -0.58 -0.03 0.00 1.34 0.00 0.00 72.50 73.15 1i4v s THR 95 CO -0.17 -0.39 0.74 -0.69 -0.54 0.00 0.00 174.62 173.57 1i4v s VAL 96 N -1.38 4.99 -0.29 2.29 1.01 -1.26 -0.52 120.40 125.23 1i4v s VAL 96 Ca -0.10 1.48 -0.24 0.00 0.00 0.00 0.00 61.98 63.12 1i4v s VAL 96 Cb -0.10 -4.06 0.17 0.00 0.00 0.00 0.00 36.38 32.38 1i4v s VAL 96 CO 0.00 0.15 1.26 -0.75 0.00 0.00 0.00 175.10 175.77 1i4v s LYS 97 N 1.42 0.23 -0.47 2.72 2.47 -0.84 -4.37 119.74 120.90 1i4v s LYS 97 Ca 0.37 0.29 -0.29 0.00 -1.56 0.00 0.00 55.97 54.78 1i4v s LYS 97 Cb -0.17 0.11 0.02 0.00 -1.46 0.00 0.00 37.83 36.32 1i4v s LYS 97 CO 0.15 -0.03 1.36 0.15 0.16 0.00 0.00 175.35 177.14 1i4v s LYS 98 N 0.25 3.53 0.18 4.03 1.02 -1.24 -3.99 119.74 123.51 1i4v s LYS 98 Ca 0.04 0.72 0.10 0.00 0.02 0.00 0.00 55.97 56.85 1i4v s LYS 98 Cb -0.05 -4.03 -0.04 0.00 -0.52 0.00 0.00 37.83 33.19 1i4v s LYS 98 CO -0.12 -1.63 -0.22 -0.48 -0.92 0.00 0.00 175.35 171.98 1i4v s LEU 99 N 5.41 2.43 -0.12 3.17 2.34 -1.26 -4.37 118.68 126.28 1i4v s LEU 99 Ca 0.56 -0.85 0.03 0.00 0.06 0.00 0.00 54.13 53.92 1i4v s LEU 99 Cb -0.11 -1.02 -0.00 0.00 -0.56 0.00 0.00 46.19 44.50 1i4v s LEU 99 CO 0.30 0.06 -0.21 -1.10 -1.06 0.00 0.00 176.35 174.34 1i4v s GLN 100 N -2.67 3.11 0.00 1.48 -0.21 -1.12 -3.11 119.66 117.14 1i4v s GLN 100 Ca 0.18 -0.83 0.00 0.00 0.02 0.00 0.00 55.36 54.73 1i4v s GLN 100 Cb -0.07 -2.41 0.00 0.00 1.00 0.00 0.00 33.01 31.53 1i4v s GLN 100 CO 0.08 0.14 0.00 1.28 -2.12 0.00 0.00 175.29 174.67 1i4v n LEU 101 N 3.67 0.00 0.04 2.90 4.77 -1.24 -1.70 117.00 125.43 1i4v n LEU 101 Ca -0.19 -0.35 -0.06 0.00 -0.03 0.00 0.00 56.01 55.38 1i4v n LEU 101 Cb 0.53 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 1i4v n LEU 101 CO 0.28 0.00 0.18 0.03 -1.33 0.00 0.00 177.39 176.56 1i4v h ARG 102 N 0.00 -0.19 0.67 3.23 -0.00 -1.99 -3.37 114.38 112.72 1i4v h ARG 102 Ca 0.00 0.01 -0.03 0.00 -0.50 0.00 0.00 59.98 59.46 1i4v h ARG 102 Cb 0.00 0.04 0.01 0.00 0.00 0.00 0.00 29.97 30.02 1i4v h ARG 102 CO 0.00 0.05 -0.32 -1.00 0.00 0.00 0.00 179.97 178.70 1i4v h PRO 103 N -1.01 -0.87 -2.83 0.04 0.13 -2.02 -3.46 132.00 121.98 1i4v h PRO 103 Ca -0.02 0.06 -0.10 0.00 -0.87 0.00 0.00 66.00 65.07 1i4v h PRO 103 Cb 0.33 0.20 -0.19 0.00 0.13 0.00 0.00 31.00 31.47 1i4v h PRO 103 CO 0.03 -0.54 -0.15 0.99 -0.23 0.00 0.00 178.00 178.10 1i4v s THR 104 N -5.34 0.05 -0.60 1.56 2.01 -1.26 -5.10 115.64 106.96 1i4v s THR 104 Ca -0.16 -0.38 -0.27 0.00 0.31 0.00 0.00 61.69 61.18 1i4v s THR 104 Cb 0.02 -0.76 -0.00 0.00 0.01 0.00 0.00 72.50 71.77 1i4v s THR 104 CO 0.54 -0.21 1.65 0.68 -0.69 0.00 0.00 174.62 176.59 1i4v s VAL 105 N -1.52 3.53 -0.00 3.82 -7.23 -1.26 -3.66 120.40 114.08 1i4v s VAL 105 Ca -0.11 0.38 0.00 0.00 -1.81 0.00 0.00 61.98 60.44 1i4v s VAL 105 Cb -0.03 -4.20 0.00 0.00 0.56 0.00 0.00 36.38 32.71 1i4v s VAL 105 CO 0.04 -1.09 -0.01 -1.10 -0.31 0.00 0.00 175.10 172.63 1i4v s GLN 106 N 6.33 0.12 0.23 4.82 -0.21 -0.69 -1.35 119.66 128.91 1i4v s GLN 106 Ca 0.59 -0.04 0.11 0.00 0.02 0.00 0.00 55.36 56.04 1i4v s GLN 106 Cb -0.12 -0.13 -0.05 0.00 1.00 0.00 0.00 33.01 33.71 1i4v s GLN 106 CO 0.22 0.02 -0.19 -1.17 -2.12 0.00 0.00 175.29 172.05 1i4v s LEU 107 N 0.04 2.63 -0.27 2.90 2.96 -0.62 -2.80 118.68 123.52 1i4v s LEU 107 Ca -0.00 -0.86 -0.01 0.00 -0.22 0.00 0.00 54.13 53.04 1i4v s LEU 107 Cb -0.01 -1.26 0.14 0.00 0.50 0.00 0.00 46.19 45.55 1i4v s LEU 107 CO -0.00 0.08 0.35 -0.51 -1.32 0.00 0.00 176.35 174.95 1i4v s ILE 108 N -2.00 -0.54 0.50 6.68 -1.16 -1.26 -2.78 121.20 120.64 1i4v s ILE 108 Ca 0.25 -0.25 -0.22 0.00 -0.51 0.00 0.00 60.65 59.92 1i4v s ILE 108 Cb -0.07 -0.90 -0.06 0.00 0.61 0.00 0.00 42.46 42.04 1i4v s ILE 108 CO 0.13 -0.27 1.22 -2.16 -2.81 0.00 0.00 174.94 171.05 1i4v s PRO 109 N 2.48 3.49 0.00 3.50 0.05 -1.26 -4.54 135.00 138.72 1i4v s PRO 109 Ca 0.10 1.88 0.00 0.00 0.05 0.00 0.00 61.00 63.04 1i4v s PRO 109 Cb -0.14 -2.29 0.00 0.00 0.05 0.00 0.00 34.50 32.12 1i4v s PRO 109 CO -0.24 -0.81 0.00 -1.33 0.05 0.00 0.00 177.00 174.67 1i4v n MET 110 N -0.80 2.12 0.00 4.56 0.00 -1.26 -4.39 117.12 117.35 1i4v n MET 110 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.79 1i4v n MET 110 Cb 0.48 -0.89 0.00 0.00 0.00 0.00 0.00 33.22 32.80 1i4v n MET 110 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1i4v n ASN 111 N -1.41 0.00 0.00 7.83 4.05 -1.26 -4.79 115.26 119.68 1i4v n ASN 111 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1i4v n ASN 111 Cb 0.18 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.19 1i4v n ASN 111 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1i4v n SER 112 N 0.00 3.61 -3.47 1.20 3.41 -1.26 -4.81 113.62 112.30 1i4v n SER 112 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 1i4v n SER 112 Cb 0.00 0.68 -0.01 0.00 -0.26 0.00 0.00 64.21 64.62 1i4v n SER 112 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i4v n ALA 113 N -1.15 6.87 -1.79 7.33 0.00 -1.26 -4.96 120.51 125.56 1i4v n ALA 113 Ca 0.00 -4.02 -0.42 0.00 0.00 0.00 0.00 53.44 49.00 1i4v n ALA 113 Cb 0.05 -2.86 -0.03 0.00 0.00 0.00 0.00 19.45 16.61 1i4v n ALA 113 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1i4v s TYR 114 N -0.67 1.65 -0.48 0.00 1.13 -1.26 -4.55 117.35 113.17 1i4v s TYR 114 Ca 0.56 -0.18 0.05 0.00 -1.41 0.00 0.00 57.07 56.09 1i4v s TYR 114 Cb 0.18 -4.13 0.19 0.00 -1.10 0.00 0.00 41.96 37.10 1i4v s TYR 114 CO -0.09 -4.91 0.76 -1.12 -2.51 0.00 0.00 175.55 167.68 1i4v s SER 115 N 3.79 -1.31 -0.27 -0.18 0.01 -1.26 -5.00 113.70 109.47 1i4v s SER 115 Ca 0.82 -1.39 -0.28 0.00 1.31 0.00 0.00 55.95 56.41 1i4v s SER 115 Cb -0.40 1.71 -0.05 0.00 0.21 0.00 0.00 66.02 67.49 1i4v s SER 115 CO 0.37 -0.06 2.20 -2.84 0.41 0.00 0.00 173.24 173.31 1i4v s PRO 116 N 1.07 3.00 0.10 12.44 0.01 -1.26 -4.54 135.00 145.81 1i4v s PRO 116 Ca 0.27 1.86 0.05 0.00 0.01 0.00 0.00 61.00 63.18 1i4v s PRO 116 Cb 0.01 -4.39 -0.03 0.00 0.01 0.00 0.00 34.50 30.10 1i4v s PRO 116 CO -0.06 -2.26 -0.12 -1.50 0.01 0.00 0.00 177.00 173.07 1i4v s ILE 117 N 8.72 1.08 0.00 2.83 2.07 -1.12 -5.02 121.20 129.77 1i4v s ILE 117 Ca 0.98 -1.58 -0.10 0.00 -1.41 0.00 0.00 60.65 58.53 1i4v s ILE 117 Cb -0.29 -1.33 -0.05 0.00 0.13 0.00 0.00 42.46 40.92 1i4v s ILE 117 CO 0.33 -0.44 0.33 0.28 -1.91 0.00 0.00 174.94 173.53 1i4v s THR 118 N -2.08 5.18 0.81 4.00 -1.32 -1.26 -1.59 115.64 119.38 1i4v s THR 118 Ca 0.04 0.49 -0.11 0.00 -1.21 0.00 0.00 61.69 60.91 1i4v s THR 118 Cb -0.05 -3.61 0.11 0.00 -1.51 0.00 0.00 72.50 67.43 1i4v s THR 118 CO 0.01 0.46 1.16 -0.63 -2.21 0.00 0.00 174.62 173.42 1i4v s ILE 119 N -1.20 2.08 0.00 5.08 1.01 -0.45 -4.93 121.20 122.78 1i4v s ILE 119 Ca 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.80 1i4v s ILE 119 Cb -0.14 -2.98 0.00 0.00 0.01 0.00 0.00 42.46 39.35 1i4v s ILE 119 CO 0.14 0.00 0.00 -0.24 0.00 0.00 0.00 174.94 174.84 1i4v n SER 120 N -3.30 -0.38 -3.34 3.58 2.88 -1.26 -4.57 113.62 107.23 1i4v n SER 120 Ca 0.10 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.35 1i4v n SER 120 Cb 0.60 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.03 1i4v n SER 120 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1i4v n SER 121 N -0.57 3.56 -3.85 -3.46 2.88 -1.26 -4.31 113.62 106.61 1i4v n SER 121 Ca 0.00 -2.44 -0.26 0.00 -1.33 0.00 0.00 58.87 54.83 1i4v n SER 121 Cb 0.00 -1.05 0.02 0.00 -0.75 0.00 0.00 64.21 62.43 1i4v n SER 121 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1i4v n GLU 122 N 5.43 -4.89 0.00 -1.46 2.13 -1.26 -4.91 120.64 115.68 1i4v n GLU 122 Ca 0.43 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.82 1i4v n GLU 122 Cb 0.23 -5.23 0.00 0.00 0.27 0.00 0.00 31.44 26.72 1i4v n GLU 122 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1i4v n ASP 123 N -2.93 0.00 -3.35 4.31 8.00 -1.26 -4.64 116.55 116.68 1i4v n ASP 123 Ca -0.13 0.49 -0.25 0.00 0.71 0.00 0.00 54.79 55.60 1i4v n ASP 123 Cb 0.60 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.61 1i4v n ASP 123 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i4v s THR 124 N -0.98 0.19 -0.35 -3.53 2.01 -1.26 -5.07 115.64 106.66 1i4v s THR 124 Ca 0.00 -2.37 0.01 0.00 0.31 0.00 0.00 61.69 59.64 1i4v s THR 124 Cb 0.00 -1.13 0.11 0.00 0.01 0.00 0.00 72.50 71.49 1i4v s THR 124 CO 0.00 -1.10 0.12 -0.76 -0.69 0.00 0.00 174.62 172.19 1i4v s LEU 125 N 0.28 3.01 -0.02 4.42 2.01 -1.26 -4.15 118.68 122.96 1i4v s LEU 125 Ca 0.30 -2.02 -0.10 0.00 0.01 0.00 0.00 54.13 52.33 1i4v s LEU 125 Cb -0.00 -1.11 0.01 0.00 0.01 0.00 0.00 46.19 45.10 1i4v s LEU 125 CO -0.16 -0.37 0.21 -0.62 1.01 0.00 0.00 176.35 176.42 1i4v s ASP 126 N 1.11 -0.10 0.59 2.29 2.15 -1.13 -4.97 116.67 116.61 1i4v s ASP 126 Ca 0.12 0.03 -0.17 0.00 0.43 0.00 0.00 52.55 52.96 1i4v s ASP 126 Cb -0.20 0.30 -0.04 0.00 -0.30 0.00 0.00 42.92 42.68 1i4v s ASP 126 CO -0.15 -0.33 1.08 -0.69 -0.17 0.00 0.00 175.17 174.91 1i4v s VAL 127 N -1.03 3.57 -0.20 1.11 1.01 -1.26 -1.22 120.40 122.39 1i4v s VAL 127 Ca -0.11 0.81 0.13 0.00 0.00 0.00 0.00 61.98 62.81 1i4v s VAL 127 Cb -0.06 -3.31 -0.22 0.00 0.00 0.00 0.00 36.38 32.80 1i4v s VAL 127 CO 0.02 -0.38 0.00 0.33 0.00 0.00 0.00 175.10 175.07 1i4v n PHE 128 N -1.87 0.00 -0.61 5.22 7.35 -1.08 -4.84 117.46 121.64 1i4v n PHE 128 Ca 0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.79 1i4v n PHE 128 Cb 0.52 -0.93 0.00 0.00 0.35 0.00 0.00 39.48 39.43 1i4v n PHE 128 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1i4v n GLY 129 N 1.95 5.22 0.27 7.13 0.00 -1.26 -3.39 105.19 115.12 1i4v n GLY 129 Ca -0.33 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.12 1i4v n GLY 129 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1i4v n VAL 130 N 0.00 0.00 -3.68 1.61 3.14 -0.41 -2.28 118.33 116.71 1i4v n VAL 130 Ca 0.00 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1i4v n VAL 130 Cb 0.00 0.39 -0.01 0.00 -1.06 0.00 0.00 33.84 33.16 1i4v n VAL 130 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1i4v s VAL 131 N 0.00 0.00 -0.41 1.55 0.11 -1.26 -4.78 120.40 115.61 1i4v s VAL 131 Ca 0.00 -0.36 0.04 0.00 -2.93 0.00 0.00 61.98 58.73 1i4v s VAL 131 Cb 0.00 -2.04 0.17 0.00 -1.53 0.00 0.00 36.38 32.98 1i4v s VAL 131 CO 0.00 0.00 0.44 -0.63 -3.33 0.00 0.00 175.10 171.58 1i4v s ILE 132 N -2.67 -0.30 -0.16 7.04 1.09 -1.25 -2.96 121.20 121.99 1i4v s ILE 132 Ca 0.14 -1.43 -0.29 0.00 -1.10 0.00 0.00 60.65 57.97 1i4v s ILE 132 Cb 0.03 -0.68 -0.03 0.00 -1.06 0.00 0.00 42.46 40.72 1i4v s ILE 132 CO -0.02 -0.64 1.45 -1.00 -0.10 0.00 0.00 174.94 174.64 1i4v s HIS 133 N 0.94 2.42 -0.10 3.97 3.76 0.40 -4.74 115.29 121.95 1i4v s HIS 133 Ca 0.24 0.66 -0.18 0.00 -0.15 0.00 0.00 55.06 55.63 1i4v s HIS 133 Cb -0.07 -3.77 -0.04 0.00 1.11 0.00 0.00 32.58 29.81 1i4v s HIS 133 CO -0.08 -2.58 0.48 0.08 -0.85 0.00 0.00 174.74 171.80 1i4v s VAL 134 N 4.12 5.15 -0.48 -0.90 1.01 -1.26 -0.52 120.40 127.51 1i4v s VAL 134 Ca 0.64 0.96 -0.04 0.00 0.00 0.00 0.00 61.98 63.54 1i4v s VAL 134 Cb -0.25 -3.81 0.13 0.00 0.00 0.00 0.00 36.38 32.44 1i4v s VAL 134 CO 0.23 0.36 0.30 -0.69 0.00 0.00 0.00 175.10 175.29 1i4v s VAL 135 N 0.40 3.58 -0.43 2.92 1.01 0.03 -5.01 120.40 122.90 1i4v s VAL 135 Ca 0.26 -2.26 -0.24 0.00 0.00 0.00 0.00 61.98 59.74 1i4v s VAL 135 Cb -0.15 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 32.85 1i4v s VAL 135 CO 0.11 -0.76 0.86 -0.54 0.00 0.00 0.00 175.10 174.77 1i4v s LYS 136 N 0.84 3.56 -0.37 2.72 1.02 -1.26 -2.64 119.74 123.60 1i4v s LYS 136 Ca 0.10 0.14 -0.27 0.00 0.02 0.00 0.00 55.97 55.96 1i4v s LYS 136 Cb -0.22 -3.90 -0.05 0.00 -0.52 0.00 0.00 37.83 33.13 1i4v s LYS 136 CO -0.04 -1.10 2.26 0.00 -0.92 0.00 0.00 175.35 175.55 1i4v s ALA 137 N 3.47 2.20 -0.46 5.17 0.00 -1.26 -4.91 121.76 125.97 1i4v s ALA 137 Ca 0.34 0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.50 1i4v s ALA 137 Cb -0.11 -4.21 0.10 0.00 0.00 0.00 0.00 23.12 18.89 1i4v s ALA 137 CO 0.23 -3.62 0.34 1.41 0.00 0.00 0.00 175.76 174.12 1i4v s MET 138 N 7.23 2.68 0.00 0.00 1.75 -1.26 -5.11 119.30 124.58 1i4v s MET 138 Ca 0.96 -1.57 0.04 0.00 -1.25 0.00 0.00 55.69 53.87 1i4v s MET 138 Cb -0.24 -3.95 0.03 0.00 2.84 0.00 0.00 34.83 33.51 1i4v s MET 138 CO 0.30 -1.09 0.63 -2.13 -0.65 0.00 0.00 175.02 172.08