#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 1.83 0.93 0.00 0.40 -1.26 -4.95 117.98 114.93 1i4v s PHE 26 Ca 0.00 1.65 -0.10 0.00 -0.60 0.00 0.00 56.93 57.87 1i4v s PHE 26 Cb 0.00 -3.51 0.15 0.00 0.51 0.00 0.00 43.02 40.17 1i4v s PHE 26 CO 0.00 -2.87 1.13 -2.14 0.70 0.00 0.00 175.22 172.04 1i4v s PRO 27 N -4.04 0.93 -0.40 0.24 0.02 -1.26 -5.01 135.00 125.47 1i4v s PRO 27 Ca 0.74 1.41 0.07 0.00 0.02 0.00 0.00 61.00 63.24 1i4v s PRO 27 Cb -0.30 -1.73 0.22 0.00 0.02 0.00 0.00 34.50 32.72 1i4v s PRO 27 CO 0.49 -2.65 0.49 0.45 -0.33 0.00 0.00 177.00 175.45 1i4v n SER 28 N -4.23 -0.27 -0.30 2.53 2.88 -1.26 -4.96 113.62 108.00 1i4v n SER 28 Ca 0.10 -2.63 -0.03 0.00 -1.33 0.00 0.00 58.87 54.98 1i4v n SER 28 Cb 0.52 -0.43 0.12 0.00 -0.75 0.00 0.00 64.21 63.67 1i4v n SER 28 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1i4v h PRO 29 N 4.50 1.19 -3.99 -1.46 0.14 -2.05 -3.39 132.00 126.95 1i4v h PRO 29 Ca 0.12 -0.14 -0.58 0.00 0.14 0.00 0.00 66.00 65.53 1i4v h PRO 29 Cb 0.90 -0.23 -0.39 0.00 0.14 0.00 0.00 31.00 31.42 1i4v h PRO 29 CO 0.42 0.88 -0.77 0.00 0.14 0.00 0.00 178.00 178.66 1i4v s ALA 30 N -5.78 1.68 -0.27 -0.56 0.00 -1.26 -4.98 121.76 110.59 1i4v s ALA 30 Ca -0.12 -1.34 0.20 0.00 0.00 0.00 0.00 51.96 50.69 1i4v s ALA 30 Cb 0.17 -1.45 0.50 0.00 0.00 0.00 0.00 23.12 22.34 1i4v s ALA 30 CO 0.82 -1.33 1.11 0.00 0.00 0.00 0.00 175.76 176.36 1i4v n ALA 31 N 4.78 3.09 -1.79 0.00 0.00 -1.26 -5.06 120.51 120.28 1i4v n ALA 31 Ca -0.08 -2.98 -0.43 0.00 0.00 0.00 0.00 53.44 49.95 1i4v n ALA 31 Cb 0.44 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 1i4v n ALA 31 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1i4v s ASP 32 N -3.70 5.78 -0.85 0.00 -4.77 -1.26 -3.36 116.67 108.51 1i4v s ASP 32 Ca 0.31 1.76 -0.04 0.00 -3.30 0.00 0.00 52.55 51.29 1i4v s ASP 32 Cb 0.35 -2.52 -0.01 0.00 -1.09 0.00 0.00 42.92 39.65 1i4v s ASP 32 CO -0.02 -1.72 0.70 -1.22 0.70 0.00 0.00 175.17 173.61 1i4v n TYR 33 N 10.51 -2.50 0.22 2.11 4.02 -1.26 -4.85 117.16 125.41 1i4v n TYR 33 Ca 0.26 0.92 0.07 0.00 -0.01 0.00 0.00 57.90 59.13 1i4v n TYR 33 Cb 0.45 -3.60 0.49 0.00 -0.02 0.00 0.00 39.34 36.66 1i4v n TYR 33 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1i4v h VAL 34 N -0.25 0.96 -3.25 -0.72 2.07 -1.97 -3.40 116.25 109.69 1i4v h VAL 34 Ca -0.34 -0.97 -0.67 0.00 0.82 0.00 0.00 66.70 65.54 1i4v h VAL 34 Cb 1.20 1.56 -0.31 0.00 -1.52 0.00 0.00 31.29 32.22 1i4v h VAL 34 CO 0.36 0.26 -0.81 -1.61 0.02 0.00 0.00 177.57 175.78 1i4v s GLU 35 N -4.17 3.18 0.00 1.57 2.02 -1.26 -5.12 118.70 114.92 1i4v s GLU 35 Ca -0.03 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.21 1i4v s GLU 35 Cb 0.14 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.73 1i4v s GLU 35 CO 0.67 -0.04 0.00 0.94 0.02 0.00 0.00 175.26 176.85 1i4v n GLN 36 N 4.21 2.62 0.19 1.61 7.27 -1.26 -5.08 117.38 126.94 1i4v n GLN 36 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.88 1i4v n GLN 36 Cb 0.51 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.16 1i4v n GLN 36 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1i4v n ARG 37 N -0.01 0.00 -1.51 3.69 3.00 -1.26 -4.94 116.66 115.62 1i4v n ARG 37 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.50 1i4v n ARG 37 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 1i4v n ARG 37 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 1i4v n ILE 38 N -3.40 4.37 -2.65 5.15 0.13 -1.26 -4.82 119.36 116.88 1i4v n ILE 38 Ca 0.00 -3.05 -0.43 0.00 -1.10 0.00 0.00 62.75 58.16 1i4v n ILE 38 Cb 0.00 -2.27 0.00 0.00 -0.84 0.00 0.00 39.64 36.53 1i4v n ILE 38 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1i4v n ASP 39 N 2.59 5.09 -0.26 9.51 2.03 -1.26 -4.80 116.55 129.44 1i4v n ASP 39 Ca 0.66 -3.01 0.05 0.00 0.52 0.00 0.00 54.79 53.01 1i4v n ASP 39 Cb 0.35 -1.56 0.18 0.00 -0.72 0.00 0.00 41.12 39.38 1i4v n ASP 39 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1i4v h LEU 40 N 9.33 0.39 -0.83 -2.67 3.38 -1.97 1.24 115.31 124.19 1i4v h LEU 40 Ca 0.37 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.54 1i4v h LEU 40 Cb 0.78 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.48 1i4v h LEU 40 CO 1.43 0.18 0.45 -0.55 0.09 0.00 0.00 178.44 180.03 1i4v h ASN 41 N 0.53 0.60 0.99 -0.43 -1.07 -1.89 0.44 115.58 114.76 1i4v h ASN 41 Ca 0.41 0.07 0.00 0.00 0.07 0.00 0.00 56.30 56.84 1i4v h ASN 41 Cb 0.56 -0.04 0.00 0.00 -2.07 0.00 0.00 38.32 36.77 1i4v h ASN 41 CO -0.35 0.31 -0.65 -0.61 0.07 0.00 0.00 177.43 176.19 1i4v h GLN 42 N 0.71 0.00 0.49 4.14 4.15 -1.05 -2.59 115.11 120.95 1i4v h GLN 42 Ca 0.42 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.82 1i4v h GLN 42 Cb 0.48 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.18 1i4v h GLN 42 CO -0.30 0.00 -0.23 1.25 -1.93 0.00 0.00 178.83 177.62 1i4v h LEU 43 N 0.00 -0.55 0.11 -2.39 6.46 0.37 -3.38 115.31 115.93 1i4v h LEU 43 Ca 0.00 0.02 -0.35 0.00 -0.12 0.00 0.00 57.88 57.43 1i4v h LEU 43 Cb 0.82 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.88 1i4v h LEU 43 CO 0.00 -0.33 -1.92 -0.07 -0.62 0.00 0.00 178.44 175.49 1i4v h LEU 44 N -0.78 0.38-10.24 2.25 -0.00 -1.61 -3.48 115.31 101.82 1i4v h LEU 44 Ca -0.07 -0.81 -0.52 0.00 -0.00 0.00 0.00 57.88 56.48 1i4v h LEU 44 Cb 0.50 -0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 41.00 1i4v h LEU 44 CO 0.11 1.72 -0.34 -0.63 -0.00 0.00 0.00 178.44 179.30 1i4v s ILE 45 N -2.57 2.29 0.00 1.22 1.01 -0.98 -5.07 121.20 117.11 1i4v s ILE 45 Ca -0.19 -1.38 0.00 0.00 0.00 0.00 0.00 60.65 59.08 1i4v s ILE 45 Cb 0.07 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 39.86 1i4v s ILE 45 CO 0.79 0.00 0.00 0.00 0.00 0.00 0.00 174.94 175.73 1i4v n GLN 46 N -1.65 0.00 -1.61 2.79 6.02 -1.25 -3.48 117.38 118.21 1i4v n GLN 46 Ca 0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.60 1i4v n GLN 46 Cb 0.63 -0.43 0.01 0.00 1.02 0.00 0.00 30.24 31.47 1i4v n GLN 46 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1i4v n HIS 47 N -2.42 1.15 -0.02 1.08 8.25 -1.26 -4.86 115.22 117.13 1i4v n HIS 47 Ca 0.00 0.56 -0.00 0.00 -0.26 0.00 0.00 57.72 58.02 1i4v n HIS 47 Cb 0.23 -2.23 0.29 0.00 1.12 0.00 0.00 29.99 29.40 1i4v n HIS 47 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1i4v h PRO 48 N 1.54 0.58 0.00 -0.41 0.14 -1.97 -3.38 132.00 128.49 1i4v h PRO 48 Ca -0.44 -0.11 -0.18 0.00 0.14 0.00 0.00 66.00 65.40 1i4v h PRO 48 Cb 1.34 -0.09 -0.13 0.00 0.14 0.00 0.00 31.00 32.26 1i4v h PRO 48 CO 0.57 0.57 -0.19 0.43 0.14 0.00 0.00 178.00 179.52 1i4v n SER 49 N -4.29 -1.69 -2.68 1.44 7.64 -1.26 -4.99 113.62 107.79 1i4v n SER 49 Ca 0.02 -2.25 -0.05 0.00 1.01 0.00 0.00 58.87 57.60 1i4v n SER 49 Cb 0.23 1.04 0.04 0.00 -1.01 0.00 0.00 64.21 64.51 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 -0.54 3.09 -3.24 -0.43 0.00 -1.26 -5.07 120.51 113.07 1i4v n ALA 50 Ca -0.10 -2.98 -0.18 0.00 0.00 0.00 0.00 53.44 50.18 1i4v n ALA 50 Cb 0.79 -0.77 -0.16 0.00 0.00 0.00 0.00 19.45 19.31 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 -3.95 0.52 0.15 0.00 2.01 -1.26 -1.60 115.64 111.51 1i4v s THR 51 Ca 0.32 -0.19 0.07 0.00 0.31 0.00 0.00 61.69 62.20 1i4v s THR 51 Cb 0.34 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 72.31 1i4v s THR 51 CO -0.02 0.19 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.76 1i4v s TYR 52 N 0.43 2.83 0.07 4.92 1.51 0.41 -4.75 117.35 122.79 1i4v s TYR 52 Ca -0.06 -0.13 -0.05 0.00 -1.01 0.00 0.00 57.07 55.83 1i4v s TYR 52 Cb -0.09 -1.41 -0.02 0.00 -0.11 0.00 0.00 41.96 40.33 1i4v s TYR 52 CO -0.00 0.50 0.09 -0.59 -1.11 0.00 0.00 175.55 174.43 1i4v s PHE 53 N -1.58 0.34 -0.22 2.71 -0.12 -1.26 0.16 117.98 118.02 1i4v s PHE 53 Ca 0.26 -0.83 -0.14 0.00 -0.05 0.00 0.00 56.93 56.18 1i4v s PHE 53 Cb -0.10 -0.22 0.07 0.00 -0.63 0.00 0.00 43.02 42.14 1i4v s PHE 53 CO 0.17 -0.47 0.55 0.54 -0.05 0.00 0.00 175.22 175.96 1i4v s VAL 54 N -3.90 -0.01 0.31 -2.49 0.11 -0.83 -4.95 120.40 108.64 1i4v s VAL 54 Ca 0.07 0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 58.87 1i4v s VAL 54 Cb 0.06 -0.79 -0.10 0.00 -1.53 0.00 0.00 36.38 34.03 1i4v s VAL 54 CO -0.10 0.02 1.15 -0.75 -3.33 0.00 0.00 175.10 172.09 1i4v s LYS 55 N 1.26 4.51 -0.49 1.54 2.36 -1.26 -1.50 119.74 126.15 1i4v s LYS 55 Ca -0.08 1.89 -0.14 0.00 -2.55 0.00 0.00 55.97 55.09 1i4v s LYS 55 Cb -0.06 -3.09 0.11 0.00 -1.05 0.00 0.00 37.83 33.73 1i4v s LYS 55 CO -0.13 0.07 0.41 0.00 1.55 0.00 0.00 175.35 177.25 1i4v s ALA 56 N -1.20 3.53 -0.49 3.13 0.00 -0.91 -4.89 121.76 120.94 1i4v s ALA 56 Ca 0.47 -2.38 0.08 0.00 0.00 0.00 0.00 51.96 50.13 1i4v s ALA 56 Cb -0.33 -3.06 0.29 0.00 0.00 0.00 0.00 23.12 20.03 1i4v s ALA 56 CO 0.43 -1.88 0.72 0.43 0.00 0.00 0.00 175.76 175.46 1i4v n SER 57 N 5.13 2.16 0.00 0.00 7.64 -1.26 -1.75 113.62 125.54 1i4v n SER 57 Ca -0.12 -3.17 0.00 0.00 1.01 0.00 0.00 58.87 56.59 1i4v n SER 57 Cb 0.41 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1i4v n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i4v n GLY 58 N 0.64 0.63 1.70 0.23 0.00 -1.26 -4.93 105.19 102.20 1i4v n GLY 58 Ca 0.26 0.22 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.50 -0.08 1.61 5.75 -1.26 -3.22 116.55 118.85 1i4v n ASP 59 Ca 0.00 -1.31 -0.06 0.00 -0.01 0.00 0.00 54.79 53.41 1i4v n ASP 59 Cb 0.00 0.22 -0.16 0.00 -1.03 0.00 0.00 41.12 40.16 1i4v n ASP 59 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1i4v n SER 60 N -0.46 0.06 -2.12 -1.12 2.88 -1.26 -4.50 113.62 107.10 1i4v n SER 60 Ca -0.07 0.03 -0.17 0.00 -1.33 0.00 0.00 58.87 57.32 1i4v n SER 60 Cb 0.60 1.12 0.03 0.00 -0.75 0.00 0.00 64.21 65.21 1i4v n SER 60 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1i4v n MET 61 N -2.67 3.10 0.08 -1.46 2.81 -1.26 -2.49 117.12 115.22 1i4v n MET 61 Ca -0.26 -3.97 0.08 0.00 -1.81 0.00 0.00 57.70 51.74 1i4v n MET 61 Cb 1.04 -2.09 0.37 0.00 -0.71 0.00 0.00 33.22 31.84 1i4v n MET 61 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1i4v n ILE 62 N -0.69 1.12 0.05 2.02 5.41 -1.15 -1.96 119.36 124.16 1i4v n ILE 62 Ca 0.35 0.38 0.20 0.00 1.00 0.00 0.00 62.75 64.68 1i4v n ILE 62 Cb 0.93 -1.28 0.58 0.00 -0.71 0.00 0.00 39.64 39.16 1i4v n ILE 62 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1i4v h ASP 63 N 0.00 0.00 0.00 4.38 3.04 -1.82 -3.37 116.42 118.65 1i4v h ASP 63 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1i4v h ASP 63 Cb 0.20 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.49 1i4v h ASP 63 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 1i4v n GLY 64 N -1.53 0.00 2.02 7.15 0.00 -1.15 -4.82 105.19 106.87 1i4v n GLY 64 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1i4v n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i4v n GLY 65 N 0.00 -0.49 2.97 -0.02 0.00 -0.83 -4.78 105.19 102.04 1i4v n GLY 65 Ca 0.00 0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.63 1.18 -0.48 -0.61 -5.25 -0.97 -4.61 121.20 108.82 1i4v s ILE 66 Ca 0.00 -0.43 0.08 0.00 -0.99 0.00 0.00 60.65 59.31 1i4v s ILE 66 Cb 0.00 -1.13 0.29 0.00 2.95 0.00 0.00 42.46 44.57 1i4v s ILE 66 CO 0.00 0.38 0.71 -1.20 -1.79 0.00 0.00 174.94 173.04 1i4v n SER 67 N 4.46 2.04 -2.00 4.36 7.64 -1.26 -2.92 113.62 125.94 1i4v n SER 67 Ca -0.17 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 56.56 1i4v n SER 67 Cb 0.51 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1i4v n SER 67 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1i4v n ASP 68 N 0.69 -4.77 -0.13 6.43 2.03 -1.20 -4.57 116.55 115.03 1i4v n ASP 68 Ca 0.26 0.55 0.00 0.00 0.52 0.00 0.00 54.79 56.12 1i4v n ASP 68 Cb 0.50 -0.98 0.00 0.00 -0.72 0.00 0.00 41.12 39.92 1i4v n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i4v n GLY 69 N 1.82 0.85 3.35 0.27 0.00 -0.71 -4.97 105.19 105.80 1i4v n GLY 69 Ca 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.97 -0.17 -0.43 1.61 -4.77 -1.25 -4.40 116.67 105.28 1i4v s ASP 70 Ca 0.00 0.24 -0.24 0.00 -3.30 0.00 0.00 52.55 49.25 1i4v s ASP 70 Cb 0.00 1.16 0.02 0.00 -1.09 0.00 0.00 42.92 43.01 1i4v s ASP 70 CO 0.00 -0.03 0.84 -0.22 0.70 0.00 0.00 175.17 176.46 1i4v s LEU 71 N 1.83 4.12 0.34 2.11 1.98 -1.00 -2.15 118.68 125.91 1i4v s LEU 71 Ca -0.03 0.12 -0.27 0.00 -2.89 0.00 0.00 54.13 51.07 1i4v s LEU 71 Cb -0.02 -3.08 -0.09 0.00 0.66 0.00 0.00 46.19 43.66 1i4v s LEU 71 CO -0.15 -0.92 1.15 -0.22 -1.89 0.00 0.00 176.35 174.32 1i4v s LEU 72 N 3.43 4.37 -0.33 -0.68 0.20 -0.56 -1.79 118.68 123.31 1i4v s LEU 72 Ca 0.33 2.33 -0.01 0.00 0.69 0.00 0.00 54.13 57.48 1i4v s LEU 72 Cb -0.12 -3.82 0.11 0.00 -0.43 0.00 0.00 46.19 41.93 1i4v s LEU 72 CO 0.22 -0.41 0.13 -0.63 -0.29 0.00 0.00 176.35 175.37 1i4v s ILE 73 N -1.30 0.85 0.07 6.68 -1.09 0.12 -1.96 121.20 124.57 1i4v s ILE 73 Ca 0.51 -1.55 -0.01 0.00 -2.23 0.00 0.00 60.65 57.37 1i4v s ILE 73 Cb -0.32 -1.64 -0.04 0.00 -1.58 0.00 0.00 42.46 38.88 1i4v s ILE 73 CO 0.40 -0.73 0.23 0.54 -1.23 0.00 0.00 174.94 174.15 1i4v s VAL 74 N 1.43 5.36 -0.52 2.92 0.11 0.43 0.16 120.40 130.29 1i4v s VAL 74 Ca 0.11 -0.32 -0.10 0.00 -2.93 0.00 0.00 61.98 58.74 1i4v s VAL 74 Cb -0.19 -3.62 0.13 0.00 -1.53 0.00 0.00 36.38 31.17 1i4v s VAL 74 CO -0.21 0.14 0.40 -1.81 -3.33 0.00 0.00 175.10 170.29 1i4v s ASP 75 N -2.47 5.82 -0.69 3.54 1.11 -1.05 0.16 116.67 123.09 1i4v s ASP 75 Ca 0.35 -2.01 -0.27 0.00 0.18 0.00 0.00 52.55 50.81 1i4v s ASP 75 Cb -0.13 -2.04 0.03 0.00 1.07 0.00 0.00 42.92 41.85 1i4v s ASP 75 CO 0.27 -0.69 1.22 -0.94 1.18 0.00 0.00 175.17 176.21 1i4v s SER 76 N 2.65 6.22 0.06 0.27 1.04 -0.63 -0.98 113.70 122.34 1i4v s SER 76 Ca 0.07 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1i4v s SER 76 Cb -0.25 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.33 1i4v s SER 76 CO -0.01 -1.71 0.00 0.00 0.98 0.00 0.00 173.24 172.50 1i4v n ALA 77 N 8.95 0.00 -2.10 5.32 0.00 -1.22 -4.19 120.51 127.28 1i4v n ALA 77 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.29 1i4v n ALA 77 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 2.79 -0.10 0.00 1.09 -1.26 -4.98 121.20 116.74 1i4v s ILE 78 Ca 0.00 -1.14 -0.09 0.00 -1.10 0.00 0.00 60.65 58.32 1i4v s ILE 78 Cb 0.00 -2.92 -0.04 0.00 -1.06 0.00 0.00 42.46 38.43 1i4v s ILE 78 CO 0.00 0.00 0.20 -0.89 -0.10 0.00 0.00 174.94 174.15 1i4v s THR 79 N -2.43 5.40 0.00 2.92 2.01 -1.25 -2.88 115.64 119.42 1i4v s THR 79 Ca 0.52 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.87 1i4v s THR 79 Cb -0.07 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 68.97 1i4v s THR 79 CO 0.31 0.59 0.00 0.00 -0.69 0.00 0.00 174.62 174.84 1i4v n ALA 80 N 2.09 0.00 -3.12 7.40 0.00 -1.12 -4.81 120.51 120.95 1i4v n ALA 80 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.14 1i4v n ALA 80 Cb 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.00 -0.01 0.40 0.00 0.01 -1.26 -5.04 113.70 106.79 1i4v s SER 81 Ca 0.00 -0.13 -0.26 0.00 1.31 0.00 0.00 55.95 56.87 1i4v s SER 81 Cb 0.00 0.23 -0.10 0.00 0.21 0.00 0.00 66.02 66.36 1i4v s SER 81 CO 0.00 -0.35 1.29 1.41 0.41 0.00 0.00 173.24 176.00 1i4v n HIS 82 N 1.56 2.23 -1.56 2.43 8.25 -1.26 -3.22 115.22 123.64 1i4v n HIS 82 Ca -0.22 0.51 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 1i4v n HIS 82 Cb 0.56 -2.40 0.00 0.00 1.12 0.00 0.00 29.99 29.27 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 0.78 0.96 3.42 -1.41 0.00 -1.08 -4.99 105.19 102.86 1i4v n GLY 83 Ca 0.06 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.66 -0.53 -0.77 1.61 1.01 -1.20 -5.00 116.67 109.13 1i4v s ASP 84 Ca 0.00 0.97 -0.26 0.00 0.71 0.00 0.00 52.55 53.97 1i4v s ASP 84 Cb 0.00 0.99 -0.13 0.00 1.01 0.00 0.00 42.92 44.79 1i4v s ASP 84 CO 0.00 -0.22 2.42 -0.51 0.21 0.00 0.00 175.17 177.07 1i4v s ILE 85 N 0.09 3.00 0.20 0.77 2.07 -1.26 -4.10 121.20 121.97 1i4v s ILE 85 Ca -0.01 -0.00 0.09 0.00 -1.41 0.00 0.00 60.65 59.31 1i4v s ILE 85 Cb -0.04 -3.00 -0.04 0.00 0.13 0.00 0.00 42.46 39.51 1i4v s ILE 85 CO 0.01 -0.00 -0.17 0.68 -1.91 0.00 0.00 174.94 173.56 1i4v s VAL 86 N 14.75 1.87 -0.46 4.00 -7.23 -1.25 -4.44 120.40 127.65 1i4v s VAL 86 Ca 0.93 -2.11 -0.22 0.00 -1.81 0.00 0.00 61.98 58.77 1i4v s VAL 86 Cb -0.13 -1.99 0.03 0.00 0.56 0.00 0.00 36.38 34.85 1i4v s VAL 86 CO 0.09 -0.44 0.75 -0.51 -0.31 0.00 0.00 175.10 174.68 1i4v s ILE 87 N -2.50 4.68 0.44 -0.62 1.10 -1.26 -3.21 121.20 119.84 1i4v s ILE 87 Ca 0.20 0.27 -0.04 0.00 -0.51 0.00 0.00 60.65 60.58 1i4v s ILE 87 Cb -0.04 -4.31 -0.04 0.00 0.15 0.00 0.00 42.46 38.23 1i4v s ILE 87 CO 0.08 -0.73 0.72 0.00 -2.11 0.00 0.00 174.94 172.89 1i4v s ALA 88 N 3.19 3.49 -0.09 1.50 0.00 -0.16 -2.34 121.76 127.35 1i4v s ALA 88 Ca 0.27 -0.61 -0.19 0.00 0.00 0.00 0.00 51.96 51.43 1i4v s ALA 88 Cb -0.13 -2.45 0.04 0.00 0.00 0.00 0.00 23.12 20.58 1i4v s ALA 88 CO 0.21 -0.24 0.47 0.00 0.00 0.00 0.00 175.76 176.19 1i4v s ALA 89 N -2.60 -1.18 -0.20 0.00 0.00 0.74 -1.71 121.76 116.80 1i4v s ALA 89 Ca 0.45 1.00 -0.09 0.00 0.00 0.00 0.00 51.96 53.32 1i4v s ALA 89 Cb -0.10 -0.32 0.08 0.00 0.00 0.00 0.00 23.12 22.78 1i4v s ALA 89 CO 0.42 -0.27 0.45 0.54 0.00 0.00 0.00 175.76 176.90 1i4v s VAL 90 N -0.61 -0.33 -1.40 0.00 0.11 -1.23 -2.88 120.40 114.05 1i4v s VAL 90 Ca -0.07 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 1i4v s VAL 90 Cb -0.03 -0.69 0.00 0.00 -1.53 0.00 0.00 36.38 34.12 1i4v s VAL 90 CO 0.04 0.05 0.00 0.47 -3.33 0.00 0.00 175.10 172.33 1i4v n ASP 91 N 4.79 -3.75 -0.00 3.54 8.00 -1.26 -1.16 116.55 126.71 1i4v n ASP 91 Ca -0.16 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1i4v n ASP 91 Cb 0.53 -3.42 0.00 0.00 -0.02 0.00 0.00 41.12 38.21 1i4v n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i4v n GLY 92 N -0.38 1.83 3.81 0.44 0.00 -1.26 -5.11 105.19 104.53 1i4v n GLY 92 Ca -0.14 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.94 2.66 -0.03 1.61 2.02 -0.31 -5.13 118.70 118.58 1i4v s GLU 93 Ca 0.00 -1.32 -0.01 0.00 0.02 0.00 0.00 54.97 53.66 1i4v s GLU 93 Cb 0.00 -2.41 0.03 0.00 0.10 0.00 0.00 34.13 31.85 1i4v s GLU 93 CO 0.00 0.15 0.06 -0.06 0.02 0.00 0.00 175.26 175.43 1i4v s PHE 94 N -2.31 -0.03 -0.03 1.61 0.08 -1.26 -3.50 117.98 112.55 1i4v s PHE 94 Ca 0.39 0.22 -0.07 0.00 0.12 0.00 0.00 56.93 57.59 1i4v s PHE 94 Cb -0.05 -0.18 0.01 0.00 -0.57 0.00 0.00 43.02 42.23 1i4v s PHE 94 CO 0.25 -0.10 0.16 0.95 -0.10 0.00 0.00 175.22 176.38 1i4v s THR 95 N 1.01 0.05 -0.37 0.64 -4.23 -0.69 -4.96 115.64 107.09 1i4v s THR 95 Ca -0.08 -0.41 0.03 0.00 -1.18 0.00 0.00 61.69 60.05 1i4v s THR 95 Cb -0.12 -0.37 0.11 0.00 1.34 0.00 0.00 72.50 73.46 1i4v s THR 95 CO -0.04 -0.22 0.10 -0.69 -0.54 0.00 0.00 174.62 173.23 1i4v s VAL 96 N -0.79 2.06 -0.09 2.29 1.01 -1.26 -0.98 120.40 122.63 1i4v s VAL 96 Ca -0.09 -2.37 -0.32 0.00 0.00 0.00 0.00 61.98 59.20 1i4v s VAL 96 Cb -0.05 -2.51 0.12 0.00 0.00 0.00 0.00 36.38 33.95 1i4v s VAL 96 CO 0.01 -0.66 1.16 -0.75 0.00 0.00 0.00 175.10 174.86 1i4v s LYS 97 N 0.78 0.47 -0.88 2.72 2.47 -1.20 -3.84 119.74 120.27 1i4v s LYS 97 Ca 0.12 -0.21 -0.25 0.00 -1.56 0.00 0.00 55.97 54.07 1i4v s LYS 97 Cb -0.20 0.20 0.02 0.00 -1.46 0.00 0.00 37.83 36.38 1i4v s LYS 97 CO -0.09 -0.21 1.55 0.15 0.16 0.00 0.00 175.35 176.91 1i4v s LYS 98 N -2.59 3.18 0.13 4.03 1.02 -1.26 -3.81 119.74 120.44 1i4v s LYS 98 Ca 0.10 -0.53 0.02 0.00 0.02 0.00 0.00 55.97 55.58 1i4v s LYS 98 Cb 0.00 -4.88 -0.04 0.00 -0.52 0.00 0.00 37.83 32.40 1i4v s LYS 98 CO -0.05 -2.48 0.28 -0.48 -0.92 0.00 0.00 175.35 171.70 1i4v s LEU 99 N 6.63 4.34 -0.04 3.17 2.34 -1.26 -4.64 118.68 129.21 1i4v s LEU 99 Ca 0.50 0.22 0.05 0.00 0.06 0.00 0.00 54.13 54.95 1i4v s LEU 99 Cb -0.05 -2.95 -0.00 0.00 -0.56 0.00 0.00 46.19 42.63 1i4v s LEU 99 CO 0.02 0.07 -0.18 -1.10 -1.06 0.00 0.00 176.35 174.10 1i4v s GLN 100 N -3.07 1.86 0.00 1.48 -0.21 -1.03 -2.63 119.66 116.06 1i4v s GLN 100 Ca 0.35 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 55.09 1i4v s GLN 100 Cb -0.11 -1.61 0.00 0.00 1.00 0.00 0.00 33.01 32.28 1i4v s GLN 100 CO 0.28 0.26 0.00 1.28 -2.12 0.00 0.00 175.29 175.00 1i4v n LEU 101 N 3.11 0.00 -0.04 2.90 4.77 -1.03 -1.41 117.00 125.30 1i4v n LEU 101 Ca -0.18 -0.23 -0.01 0.00 -0.03 0.00 0.00 56.01 55.56 1i4v n LEU 101 Cb 0.53 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1i4v n LEU 101 CO 0.25 0.00 -0.08 0.03 -1.33 0.00 0.00 177.39 176.26 1i4v h ARG 102 N 0.00 0.00 0.08 3.23 -0.00 -2.00 -3.39 114.38 112.30 1i4v h ARG 102 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1i4v h ARG 102 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1i4v h ARG 102 CO 0.00 0.00 -0.04 -1.00 0.00 0.00 0.00 179.97 178.93 1i4v h PRO 103 N -0.79 -0.11 -3.71 0.04 0.13 -2.02 -3.46 132.00 122.08 1i4v h PRO 103 Ca 0.00 0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 1i4v h PRO 103 Cb 0.11 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 31.16 1i4v h PRO 103 CO 0.00 0.05 -0.17 0.99 -0.23 0.00 0.00 178.00 178.64 1i4v s THR 104 N -5.62 0.02 -0.52 1.56 2.01 -1.26 -5.12 115.64 106.71 1i4v s THR 104 Ca -0.14 -1.35 -0.14 0.00 0.31 0.00 0.00 61.69 60.36 1i4v s THR 104 Cb 0.04 -2.05 0.12 0.00 0.01 0.00 0.00 72.50 70.63 1i4v s THR 104 CO 0.65 -0.09 0.46 0.68 -0.69 0.00 0.00 174.62 175.63 1i4v s VAL 105 N -3.99 4.99 0.00 3.82 -7.23 -1.25 -2.47 120.40 114.26 1i4v s VAL 105 Ca 0.20 -1.54 0.02 0.00 -1.81 0.00 0.00 61.98 58.85 1i4v s VAL 105 Cb 0.01 -4.20 -0.01 0.00 0.56 0.00 0.00 36.38 32.74 1i4v s VAL 105 CO 0.05 -0.83 -0.06 0.00 -0.31 0.00 0.00 175.10 173.95 1i4v s GLN 106 N 1.55 0.47 -0.07 4.82 -2.07 -0.50 -2.66 119.66 121.20 1i4v s GLN 106 Ca 0.04 -0.27 -0.07 0.00 -1.82 0.00 0.00 55.36 53.23 1i4v s GLN 106 Cb -0.29 -0.43 0.02 0.00 -1.09 0.00 0.00 33.01 31.22 1i4v s GLN 106 CO 0.02 0.11 0.20 -1.17 -1.32 0.00 0.00 175.29 173.14 1i4v s LEU 107 N -0.32 1.24 -0.42 2.60 2.96 -0.66 -2.46 118.68 121.63 1i4v s LEU 107 Ca 0.01 0.35 0.08 0.00 -0.22 0.00 0.00 54.13 54.35 1i4v s LEU 107 Cb -0.03 0.71 0.29 0.00 0.50 0.00 0.00 46.19 47.65 1i4v s LEU 107 CO -0.00 -0.10 0.76 0.00 -1.32 0.00 0.00 176.35 175.69 1i4v n ILE 108 N 2.81 -0.28 0.00 6.68 0.13 -1.26 -2.33 119.36 125.10 1i4v n ILE 108 Ca -0.14 -3.20 0.00 0.00 -1.10 0.00 0.00 62.75 58.32 1i4v n ILE 108 Cb 0.58 -0.15 0.00 0.00 -0.84 0.00 0.00 39.64 39.24 1i4v n ILE 108 CO 0.00 0.00 0.00 -0.81 2.80 0.00 0.00 176.55 178.54 1i4v n PRO 109 N 0.96 2.52 -0.93 9.51 -0.05 -1.26 -4.82 135.00 140.94 1i4v n PRO 109 Ca 0.17 0.00 0.03 0.00 -0.05 0.00 0.00 63.50 63.65 1i4v n PRO 109 Cb 0.62 0.00 -0.01 0.00 -0.05 0.00 0.00 33.50 34.05 1i4v n PRO 109 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 175.50 174.12 1i4v n MET 110 N 0.00 -2.37 0.00 0.54 2.81 -1.26 -4.44 117.12 112.39 1i4v n MET 110 Ca 0.00 1.87 0.00 0.00 -1.81 0.00 0.00 57.70 57.76 1i4v n MET 110 Cb 0.00 -2.40 0.00 0.00 -0.71 0.00 0.00 33.22 30.11 1i4v n MET 110 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1i4v n ASN 111 N -2.48 0.00 0.15 7.83 4.05 -1.04 -3.87 115.26 119.90 1i4v n ASN 111 Ca -0.01 0.00 0.02 0.00 0.45 0.00 0.00 54.58 55.04 1i4v n ASN 111 Cb 0.32 0.00 0.15 0.00 1.23 0.00 0.00 39.78 41.49 1i4v n ASN 111 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 177.26 174.98 1i4v h SER 112 N 0.00 0.00 -0.69 1.20 4.64 -1.88 -3.19 113.55 113.63 1i4v h SER 112 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 1i4v h SER 112 Cb 0.00 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 61.93 1i4v h SER 112 CO 0.00 0.52 0.46 0.00 -0.87 0.00 0.00 176.83 176.94 1i4v n ALA 113 N -2.28 5.59 -1.79 5.18 0.00 -1.26 -4.95 120.51 120.99 1i4v n ALA 113 Ca 0.01 -2.20 -0.42 0.00 0.00 0.00 0.00 53.44 50.82 1i4v n ALA 113 Cb 0.65 -1.61 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.00 1.52 -0.47 0.00 1.13 -1.21 -4.79 117.35 111.53 1i4v s TYR 114 Ca 0.41 -0.15 0.03 0.00 -1.41 0.00 0.00 57.07 55.95 1i4v s TYR 114 Cb 0.31 -4.11 0.15 0.00 -1.10 0.00 0.00 41.96 37.20 1i4v s TYR 114 CO -0.06 -4.83 0.30 -1.12 -2.51 0.00 0.00 175.55 167.32 1i4v s SER 115 N 4.37 3.29 -0.38 -0.18 0.01 -1.26 -5.07 113.70 114.48 1i4v s SER 115 Ca 0.84 -2.87 -0.28 0.00 1.31 0.00 0.00 55.95 54.94 1i4v s SER 115 Cb -0.38 -0.94 -0.07 0.00 0.21 0.00 0.00 66.02 64.83 1i4v s SER 115 CO 0.37 -0.22 2.32 -2.65 0.41 0.00 0.00 173.24 173.47 1i4v n PRO 116 N 3.19 1.37 -4.29 12.44 -0.01 -1.26 -4.73 135.00 141.71 1i4v n PRO 116 Ca 0.15 0.25 -0.20 0.00 -0.01 0.00 0.00 63.50 63.70 1i4v n PRO 116 Cb 0.38 -3.14 -0.11 0.00 -0.01 0.00 0.00 33.50 30.61 1i4v n PRO 116 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 175.50 173.99 1i4v s ILE 117 N 9.85 1.59 -0.04 4.25 2.07 -0.99 -4.97 121.20 132.95 1i4v s ILE 117 Ca 1.03 -1.85 -0.04 0.00 -1.41 0.00 0.00 60.65 58.38 1i4v s ILE 117 Cb -0.38 -1.72 -0.04 0.00 0.13 0.00 0.00 42.46 40.45 1i4v s ILE 117 CO 0.34 -0.38 0.16 0.28 -1.91 0.00 0.00 174.94 173.42 1i4v s THR 118 N -2.16 5.36 0.89 4.00 -1.32 -1.26 -1.65 115.64 119.50 1i4v s THR 118 Ca 0.13 -0.08 -0.12 0.00 -1.21 0.00 0.00 61.69 60.41 1i4v s THR 118 Cb -0.05 -3.44 0.12 0.00 -1.51 0.00 0.00 72.50 67.62 1i4v s THR 118 CO 0.05 0.42 1.13 -0.63 -2.21 0.00 0.00 174.62 173.38 1i4v s ILE 119 N -1.22 2.15 -1.08 5.08 1.01 -1.09 -4.87 121.20 121.19 1i4v s ILE 119 Ca 0.23 0.05 -0.23 0.00 0.00 0.00 0.00 60.65 60.70 1i4v s ILE 119 Cb -0.12 -2.81 -0.06 0.00 0.01 0.00 0.00 42.46 39.47 1i4v s ILE 119 CO 0.14 -0.07 1.91 -0.44 0.00 0.00 0.00 174.94 176.48 1i4v s SER 120 N -4.04 5.20 -1.37 3.58 0.01 -1.26 -4.01 113.70 111.81 1i4v s SER 120 Ca 0.63 -1.31 -0.01 0.00 1.31 0.00 0.00 55.95 56.57 1i4v s SER 120 Cb -0.14 -2.58 -0.00 0.00 0.21 0.00 0.00 66.02 63.51 1i4v s SER 120 CO 0.53 -2.81 0.49 -1.54 0.41 0.00 0.00 173.24 170.32 1i4v n SER 121 N 13.77 -0.62 -3.70 2.44 3.41 -1.26 -1.62 113.62 126.04 1i4v n SER 121 Ca 0.43 -0.97 -0.23 0.00 -0.26 0.00 0.00 58.87 57.85 1i4v n SER 121 Cb 0.47 -3.29 0.03 0.00 -0.26 0.00 0.00 64.21 61.16 1i4v n SER 121 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1i4v n GLU 122 N -4.36 -4.17 0.00 4.33 2.13 -1.26 -4.92 120.64 112.39 1i4v n GLU 122 Ca -0.30 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.10 1i4v n GLU 122 Cb 0.68 -5.02 0.00 0.00 0.27 0.00 0.00 31.44 27.38 1i4v n GLU 122 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1i4v n ASP 123 N -3.02 0.00 -3.15 4.31 2.03 -0.64 -4.68 116.55 111.41 1i4v n ASP 123 Ca -0.27 0.55 -0.17 0.00 0.52 0.00 0.00 54.79 55.43 1i4v n ASP 123 Cb 0.67 -0.05 -0.06 0.00 -0.72 0.00 0.00 41.12 40.96 1i4v n ASP 123 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1i4v s THR 124 N -1.22 -0.25 -0.20 5.18 2.01 -1.26 -5.10 115.64 114.80 1i4v s THR 124 Ca 0.00 -1.82 0.01 0.00 0.31 0.00 0.00 61.69 60.19 1i4v s THR 124 Cb 0.00 -0.71 0.04 0.00 0.01 0.00 0.00 72.50 71.84 1i4v s THR 124 CO 0.00 -0.69 -0.12 -0.76 -0.69 0.00 0.00 174.62 172.36 1i4v s LEU 125 N 0.53 2.29 0.08 4.42 2.01 -1.26 -4.32 118.68 122.44 1i4v s LEU 125 Ca 0.30 -0.86 -0.08 0.00 0.01 0.00 0.00 54.13 53.50 1i4v s LEU 125 Cb 0.00 -1.28 -0.01 0.00 0.01 0.00 0.00 46.19 44.91 1i4v s LEU 125 CO -0.12 -0.12 0.17 -0.62 1.01 0.00 0.00 176.35 176.67 1i4v s ASP 126 N 1.37 0.15 0.36 2.29 2.15 -1.14 -4.93 116.67 116.92 1i4v s ASP 126 Ca -0.00 -0.68 -0.11 0.00 0.43 0.00 0.00 52.55 52.19 1i4v s ASP 126 Cb -0.16 0.33 -0.07 0.00 -0.30 0.00 0.00 42.92 42.72 1i4v s ASP 126 CO -0.09 -0.71 0.72 -0.69 -0.17 0.00 0.00 175.17 174.23 1i4v s VAL 127 N -3.85 4.80 -0.18 1.11 1.01 -1.26 -0.18 120.40 121.84 1i4v s VAL 127 Ca 0.05 0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.66 1i4v s VAL 127 Cb 0.05 -3.69 -0.22 0.00 0.00 0.00 0.00 36.38 32.52 1i4v s VAL 127 CO -0.11 -0.38 0.09 0.33 0.00 0.00 0.00 175.10 175.03 1i4v n PHE 128 N -0.94 0.55 -1.50 5.22 -0.00 -0.99 -4.82 117.46 114.98 1i4v n PHE 128 Ca 0.02 0.13 0.00 0.00 -0.00 0.00 0.00 57.45 57.60 1i4v n PHE 128 Cb 0.54 -1.08 0.00 0.00 -0.00 0.00 0.00 39.48 38.94 1i4v n PHE 128 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1i4v n GLY 129 N 2.06 3.32 0.00 7.13 0.00 -1.26 -3.43 105.19 113.01 1i4v n GLY 129 Ca -0.37 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 43.77 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 -3.71 1.61 3.14 -0.15 -2.80 118.33 116.42 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 0.96 -0.00 0.00 -1.06 0.00 0.00 33.84 33.73 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 -0.44 1.55 0.11 -1.26 -4.69 120.40 115.67 1i4v s VAL 131 Ca 0.00 -0.39 0.05 0.00 -2.93 0.00 0.00 61.98 58.71 1i4v s VAL 131 Cb 0.00 -2.14 0.17 0.00 -1.53 0.00 0.00 36.38 32.88 1i4v s VAL 131 CO 0.00 0.00 0.48 -0.63 -3.33 0.00 0.00 175.10 171.62 1i4v s ILE 132 N -2.64 -0.28 -0.05 7.04 1.09 -1.25 -2.51 121.20 122.59 1i4v s ILE 132 Ca 0.15 -1.66 -0.30 0.00 -1.10 0.00 0.00 60.65 57.75 1i4v s ILE 132 Cb 0.02 -0.68 -0.05 0.00 -1.06 0.00 0.00 42.46 40.68 1i4v s ILE 132 CO -0.01 -0.66 1.64 -1.00 -0.10 0.00 0.00 174.94 174.81 1i4v s HIS 133 N 0.69 2.01 -0.20 3.97 3.76 0.41 -4.67 115.29 121.27 1i4v s HIS 133 Ca 0.28 0.22 -0.17 0.00 -0.15 0.00 0.00 55.06 55.24 1i4v s HIS 133 Cb -0.02 -3.90 -0.04 0.00 1.11 0.00 0.00 32.58 29.72 1i4v s HIS 133 CO -0.10 -3.79 0.44 0.08 -0.85 0.00 0.00 174.74 170.51 1i4v s VAL 134 N 3.99 5.17 -0.61 -0.90 1.01 -1.26 0.11 120.40 127.91 1i4v s VAL 134 Ca 0.73 0.79 -0.16 0.00 0.00 0.00 0.00 61.98 63.34 1i4v s VAL 134 Cb -0.33 -3.77 0.15 0.00 0.00 0.00 0.00 36.38 32.43 1i4v s VAL 134 CO 0.29 0.22 0.57 -0.69 0.00 0.00 0.00 175.10 175.50 1i4v s VAL 135 N 1.43 5.28 -0.62 2.92 1.01 -0.74 -4.95 120.40 124.73 1i4v s VAL 135 Ca 0.21 -1.69 -0.25 0.00 0.00 0.00 0.00 61.98 60.25 1i4v s VAL 135 Cb -0.15 -4.38 0.05 0.00 0.00 0.00 0.00 36.38 31.90 1i4v s VAL 135 CO 0.09 -0.92 1.04 -0.75 0.00 0.00 0.00 175.10 174.55 1i4v s LYS 136 N 1.35 3.27 -0.35 2.72 2.20 -1.26 -2.38 119.74 125.29 1i4v s LYS 136 Ca 0.07 -0.35 -0.27 0.00 -0.36 0.00 0.00 55.97 55.05 1i4v s LYS 136 Cb -0.25 -4.12 -0.04 0.00 -1.51 0.00 0.00 37.83 31.91 1i4v s LYS 136 CO 0.01 -1.72 2.12 0.00 -0.36 0.00 0.00 175.35 175.40 1i4v s ALA 137 N 4.41 2.45 -0.41 3.13 0.00 -1.26 -4.93 121.76 125.15 1i4v s ALA 137 Ca 0.30 0.33 -0.06 0.00 0.00 0.00 0.00 51.96 52.54 1i4v s ALA 137 Cb -0.12 -4.15 0.09 0.00 0.00 0.00 0.00 23.12 18.94 1i4v s ALA 137 CO 0.17 -3.26 0.22 1.41 0.00 0.00 0.00 175.76 174.30 1i4v s MET 138 N 6.70 2.34 0.00 0.00 1.75 -1.26 -5.07 119.30 123.76 1i4v s MET 138 Ca 0.91 -1.62 0.19 0.00 -1.25 0.00 0.00 55.69 53.92 1i4v s MET 138 Cb -0.25 -3.66 0.15 0.00 2.84 0.00 0.00 34.83 33.91 1i4v s MET 138 CO 0.31 -1.00 1.09 -2.13 -0.65 0.00 0.00 175.02 172.64