#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4v n PHE 26 N 0.00 -2.37 -0.06 0.00 3.72 -1.26 -5.00 117.46 112.49 1i4v n PHE 26 Ca 0.00 -2.35 -0.10 0.00 -0.05 0.00 0.00 57.45 54.94 1i4v n PHE 26 Cb 0.00 0.98 -0.03 0.00 -0.94 0.00 0.00 39.48 39.49 1i4v n PHE 26 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1i4v h PRO 27 N 3.86 0.32 -2.18 -1.08 0.14 -2.03 -3.38 132.00 127.66 1i4v h PRO 27 Ca -0.08 -0.04 -0.53 0.00 0.14 0.00 0.00 66.00 65.49 1i4v h PRO 27 Cb 0.99 -0.06 -0.35 0.00 0.14 0.00 0.00 31.00 31.72 1i4v h PRO 27 CO 0.35 0.29 -0.92 0.45 0.14 0.00 0.00 178.00 178.32 1i4v n SER 28 N -4.87 -0.85 0.31 1.44 2.88 -1.26 -4.95 113.62 106.32 1i4v n SER 28 Ca -0.03 -2.45 0.19 0.00 -1.33 0.00 0.00 58.87 55.25 1i4v n SER 28 Cb 0.07 -0.26 1.04 0.00 -0.75 0.00 0.00 64.21 64.31 1i4v n SER 28 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1i4v h PRO 29 N 5.50 0.00 -0.36 -1.46 0.11 -1.97 -0.31 132.00 133.51 1i4v h PRO 29 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1i4v h PRO 29 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1i4v h PRO 29 CO 0.33 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.13 1i4v n ALA 30 N -2.17 2.45 -3.09 -0.75 0.00 -1.26 -4.98 120.51 110.71 1i4v n ALA 30 Ca -0.03 -0.76 -0.19 0.00 0.00 0.00 0.00 53.44 52.46 1i4v n ALA 30 Cb 0.12 -0.99 0.02 0.00 0.00 0.00 0.00 19.45 18.60 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 0.81 -2.75 -2.07 0.00 0.00 -0.13 -4.96 120.51 111.41 1i4v n ALA 31 Ca 0.16 0.86 -0.02 0.00 0.00 0.00 0.00 53.44 54.44 1i4v n ALA 31 Cb 0.41 -3.17 -0.02 0.00 0.00 0.00 0.00 19.45 16.67 1i4v n ALA 31 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1i4v n ASP 32 N -0.22 -0.20 0.13 0.00 -0.08 -1.26 -4.99 116.55 109.92 1i4v n ASP 32 Ca 0.04 -1.64 0.00 0.00 -1.51 0.00 0.00 54.79 51.68 1i4v n ASP 32 Cb 0.54 0.03 0.00 0.00 2.34 0.00 0.00 41.12 44.03 1i4v n ASP 32 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1i4v n TYR 33 N 0.07 -3.05 -3.91 -0.67 9.36 -1.26 -5.09 117.16 112.60 1i4v n TYR 33 Ca -0.09 0.75 -0.28 0.00 3.32 0.00 0.00 57.90 61.60 1i4v n TYR 33 Cb 0.69 1.93 -0.17 0.00 -0.63 0.00 0.00 39.34 41.17 1i4v n TYR 33 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1i4v s VAL 34 N -2.00 1.17 0.05 2.97 1.01 -1.26 -5.04 120.40 117.30 1i4v s VAL 34 Ca 0.00 -0.58 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 1i4v s VAL 34 Cb 0.00 -1.28 -0.15 0.00 0.00 0.00 0.00 36.38 34.95 1i4v s VAL 34 CO 0.00 0.22 1.42 -0.08 0.00 0.00 0.00 175.10 176.65 1i4v h GLU 35 N 8.12 -0.93 0.00 2.72 4.81 -1.98 -3.43 114.58 123.88 1i4v h GLU 35 Ca -0.27 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1i4v h GLU 35 Cb 1.12 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1i4v h GLU 35 CO 0.42 -0.62 -0.21 0.94 -0.73 0.00 0.00 179.01 178.81 1i4v n GLN 36 N -4.69 0.11 0.00 1.92 -0.06 -1.26 -5.07 117.38 108.34 1i4v n GLN 36 Ca -0.12 0.04 0.00 0.00 -2.00 0.00 0.00 57.00 54.92 1i4v n GLN 36 Cb 0.39 -0.56 0.00 0.00 -4.06 0.00 0.00 30.24 26.01 1i4v n GLN 36 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 1i4v n ARG 37 N -3.27 0.00 -3.12 3.69 3.00 -1.26 -5.09 116.66 110.61 1i4v n ARG 37 Ca -0.03 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.85 1i4v n ARG 37 Cb 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.57 1i4v n ARG 37 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 1i4v s ILE 38 N -1.48 -0.79 -1.27 5.15 2.07 -1.26 -5.06 121.20 118.56 1i4v s ILE 38 Ca 0.00 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.15 1i4v s ILE 38 Cb 0.00 -0.33 0.17 0.00 0.13 0.00 0.00 42.46 42.43 1i4v s ILE 38 CO 0.00 0.00 1.90 -0.67 -1.91 0.00 0.00 174.94 174.26 1i4v n ASP 39 N 4.69 5.45 -0.31 4.50 2.03 -1.26 -4.79 116.55 126.87 1i4v n ASP 39 Ca 0.08 -3.14 0.12 0.00 0.52 0.00 0.00 54.79 52.38 1i4v n ASP 39 Cb 0.57 -1.45 0.29 0.00 -0.72 0.00 0.00 41.12 39.81 1i4v n ASP 39 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1i4v h LEU 40 N 7.48 0.41 -0.57 -2.67 6.46 -1.97 1.28 115.31 125.73 1i4v h LEU 40 Ca 0.41 0.14 0.07 0.00 -0.12 0.00 0.00 57.88 58.38 1i4v h LEU 40 Cb 0.59 0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 40.56 1i4v h LEU 40 CO 1.60 0.06 0.25 -0.55 -0.62 0.00 0.00 178.44 179.18 1i4v h ASN 41 N 0.47 0.31 0.51 1.25 7.08 -1.87 -0.15 115.58 123.18 1i4v h ASN 41 Ca 0.54 0.05 0.00 0.00 -3.08 0.00 0.00 56.30 53.81 1i4v h ASN 41 Cb 0.97 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.21 1i4v h ASN 41 CO -0.48 0.20 -0.35 1.67 -2.08 0.00 0.00 177.43 176.39 1i4v n GLN 42 N -4.93 0.21 0.00 4.14 -0.06 0.32 -2.67 117.38 114.39 1i4v n GLN 42 Ca 0.07 -0.10 0.00 0.00 -2.00 0.00 0.00 57.00 54.96 1i4v n GLN 42 Cb 0.21 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.89 1i4v n GLN 42 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1i4v n LEU 43 N -1.31 0.04 0.04 1.69 0.00 0.41 -4.35 117.00 113.53 1i4v n LEU 43 Ca 0.08 0.65 -0.08 0.00 0.00 0.00 0.00 56.01 56.66 1i4v n LEU 43 Cb 0.33 -0.49 -0.13 0.00 0.00 0.00 0.00 43.42 43.14 1i4v n LEU 43 CO 0.31 -0.49 -0.04 -0.07 0.00 0.00 0.00 177.39 177.10 1i4v h LEU 44 N 0.00 0.03 -9.88 -1.96 -0.00 -1.66 -3.47 115.31 98.37 1i4v h LEU 44 Ca 0.00 -0.04 -0.65 0.00 -0.00 0.00 0.00 57.88 57.19 1i4v h LEU 44 Cb 0.00 -0.01 -0.13 0.00 -0.00 0.00 0.00 40.66 40.52 1i4v h LEU 44 CO 0.00 1.03 -0.50 -0.63 -0.00 0.00 0.00 178.44 178.34 1i4v s ILE 45 N -2.68 0.81 0.00 1.22 1.01 -1.09 -5.08 121.20 115.39 1i4v s ILE 45 Ca -0.01 -2.00 0.02 0.00 0.00 0.00 0.00 60.65 58.66 1i4v s ILE 45 Cb 0.09 -2.10 0.03 0.00 0.01 0.00 0.00 42.46 40.50 1i4v s ILE 45 CO 0.82 0.00 0.76 0.00 0.00 0.00 0.00 174.94 176.52 1i4v n GLN 46 N -1.19 0.00 -4.30 2.79 6.02 -1.21 -3.29 117.38 116.20 1i4v n GLN 46 Ca -0.16 -0.56 -0.31 0.00 -0.01 0.00 0.00 57.00 55.95 1i4v n GLN 46 Cb 0.66 0.05 -0.09 0.00 1.02 0.00 0.00 30.24 31.87 1i4v n GLN 46 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1i4v s HIS 47 N 0.00 2.93 0.39 1.08 3.76 -1.26 -5.00 115.29 117.18 1i4v s HIS 47 Ca 0.03 -0.03 0.06 0.00 -0.15 0.00 0.00 55.06 54.97 1i4v s HIS 47 Cb 0.03 -1.57 0.77 0.00 1.11 0.00 0.00 32.58 32.92 1i4v s HIS 47 CO -0.01 0.43 1.99 -1.35 -0.85 0.00 0.00 174.74 174.95 1i4v h PRO 48 N 4.04 0.52 0.00 8.40 0.11 -1.99 -3.39 132.00 139.68 1i4v h PRO 48 Ca -0.48 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 1i4v h PRO 48 Cb 1.17 -0.10 -0.10 0.00 0.11 0.00 0.00 31.00 32.08 1i4v h PRO 48 CO 0.56 0.42 0.13 -1.13 -0.21 0.00 0.00 178.00 177.77 1i4v n SER 49 N -4.40 -1.22 -1.61 -2.05 3.41 -1.26 -5.01 113.62 101.48 1i4v n SER 49 Ca 0.02 -1.75 -0.06 0.00 -0.26 0.00 0.00 58.87 56.82 1i4v n SER 49 Cb 0.13 1.02 0.09 0.00 -0.26 0.00 0.00 64.21 65.19 1i4v n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i4v n ALA 50 N -0.44 3.77 -3.67 7.33 0.00 -1.26 -5.01 120.51 121.23 1i4v n ALA 50 Ca -0.23 -3.24 -0.18 0.00 0.00 0.00 0.00 53.44 49.78 1i4v n ALA 50 Cb 0.67 -0.48 -0.17 0.00 0.00 0.00 0.00 19.45 19.47 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 -3.32 -0.18 0.22 0.00 2.01 -1.26 -1.95 115.64 111.15 1i4v s THR 51 Ca 0.40 0.39 0.07 0.00 0.31 0.00 0.00 61.69 62.86 1i4v s THR 51 Cb 0.38 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.63 1i4v s THR 51 CO -0.04 0.16 0.08 -0.31 -0.69 0.00 0.00 174.62 173.82 1i4v s TYR 52 N 2.20 2.94 0.12 4.92 2.02 0.54 -4.96 117.35 125.12 1i4v s TYR 52 Ca 0.04 -0.13 -0.05 0.00 -0.37 0.00 0.00 57.07 56.56 1i4v s TYR 52 Cb -0.12 -1.36 -0.02 0.00 -0.40 0.00 0.00 41.96 40.06 1i4v s TYR 52 CO -0.04 0.55 0.13 -0.59 -1.57 0.00 0.00 175.55 174.02 1i4v s PHE 53 N -2.01 0.52 -0.20 2.71 -0.71 -1.26 0.63 117.98 117.66 1i4v s PHE 53 Ca 0.31 -0.94 -0.20 0.00 -1.04 0.00 0.00 56.93 55.06 1i4v s PHE 53 Cb -0.08 -0.26 0.05 0.00 -1.21 0.00 0.00 43.02 41.52 1i4v s PHE 53 CO 0.22 -0.55 0.56 0.54 -1.34 0.00 0.00 175.22 174.65 1i4v s VAL 54 N -3.96 0.00 0.13 -2.49 0.11 -0.86 -4.95 120.40 108.37 1i4v s VAL 54 Ca 0.15 -0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.88 1i4v s VAL 54 Cb 0.06 -0.79 -0.07 0.00 -1.53 0.00 0.00 36.38 34.04 1i4v s VAL 54 CO -0.04 -0.01 1.24 -0.75 -3.33 0.00 0.00 175.10 172.22 1i4v s LYS 55 N 0.20 4.43 -0.39 1.54 2.36 -1.26 -2.40 119.74 124.22 1i4v s LYS 55 Ca -0.01 1.89 -0.23 0.00 -2.55 0.00 0.00 55.97 55.08 1i4v s LYS 55 Cb -0.04 -3.27 0.01 0.00 -1.05 0.00 0.00 37.83 33.48 1i4v s LYS 55 CO 0.01 -0.22 0.76 0.00 1.55 0.00 0.00 175.35 177.45 1i4v s ALA 56 N 0.54 3.39 -0.40 3.13 0.00 -1.09 -4.91 121.76 122.42 1i4v s ALA 56 Ca 0.57 -0.79 0.11 0.00 0.00 0.00 0.00 51.96 51.85 1i4v s ALA 56 Cb -0.33 -3.36 0.36 0.00 0.00 0.00 0.00 23.12 19.79 1i4v s ALA 56 CO 0.33 -1.59 0.79 0.45 0.00 0.00 0.00 175.76 175.75 1i4v n SER 57 N 6.44 1.56 0.00 0.00 2.88 -1.26 -2.68 113.62 120.55 1i4v n SER 57 Ca 0.02 -3.11 0.00 0.00 -1.33 0.00 0.00 58.87 54.45 1i4v n SER 57 Cb 0.48 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 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 0.15 1.76 1.11 0.46 0.00 -1.26 -4.82 105.19 102.58 1i4v n GLY 58 Ca 0.25 0.10 -0.01 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.23 -0.06 1.61 5.75 -1.26 -1.94 116.55 120.42 1i4v n ASP 59 Ca 0.00 -0.77 -0.08 0.00 -0.01 0.00 0.00 54.79 53.93 1i4v n ASP 59 Cb 0.00 0.09 -0.05 0.00 -1.03 0.00 0.00 41.12 40.13 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 -0.14 3.09 -2.20 -1.12 2.88 -1.26 -4.05 113.62 110.82 1i4v n SER 60 Ca -0.05 -0.06 -0.24 0.00 -1.33 0.00 0.00 58.87 57.20 1i4v n SER 60 Cb 0.44 -0.12 0.18 0.00 -0.75 0.00 0.00 64.21 63.97 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 -2.80 2.26 0.23 -1.46 2.81 -1.26 0.16 117.12 117.06 1i4v n MET 61 Ca -0.20 -3.03 0.18 0.00 -1.81 0.00 0.00 57.70 52.84 1i4v n MET 61 Cb 0.72 -2.17 0.87 0.00 -0.71 0.00 0.00 33.22 31.93 1i4v n MET 61 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1i4v h ILE 62 N 1.00 0.37 -0.66 2.02 2.04 -1.81 0.72 117.51 121.20 1i4v h ILE 62 Ca 0.63 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.68 1i4v h ILE 62 Cb 2.76 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 39.66 1i4v h ILE 62 CO 1.11 0.00 0.50 -2.24 0.00 0.00 0.00 178.15 177.51 1i4v h ASP 63 N 0.00 0.00 0.13 1.72 3.04 -1.79 -0.68 116.42 118.84 1i4v h ASP 63 Ca 0.07 0.00 -0.34 0.00 -3.24 0.00 0.00 57.03 53.52 1i4v h ASP 63 Cb 0.45 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.73 1i4v h ASP 63 CO -0.00 0.00 -1.77 1.23 -2.04 0.00 0.00 179.24 176.66 1i4v h GLY 64 N 0.00 0.32 0.00 7.15 0.00 -0.94 -3.44 103.07 106.16 1i4v h GLY 64 Ca 0.31 -0.82 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1i4v h GLY 64 CO -0.00 0.71 0.00 0.61 0.00 0.00 0.00 176.54 177.86 1i4v n GLY 65 N 1.87 0.00 2.86 4.60 0.00 -0.26 -4.51 105.19 109.75 1i4v n GLY 65 Ca -0.29 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 1.60 -0.54 -0.61 -5.25 -1.24 -4.23 121.20 110.93 1i4v s ILE 66 Ca 0.00 -2.02 0.07 0.00 -0.99 0.00 0.00 60.65 57.71 1i4v s ILE 66 Cb 0.00 -2.18 0.28 0.00 2.95 0.00 0.00 42.46 43.51 1i4v s ILE 66 CO 0.00 -0.68 0.74 -0.24 -1.79 0.00 0.00 174.94 172.97 1i4v n SER 67 N 4.37 2.78 -2.55 4.36 2.88 -1.26 -3.63 113.62 120.57 1i4v n SER 67 Ca 0.02 -3.28 0.00 0.00 -1.33 0.00 0.00 58.87 54.28 1i4v n SER 67 Cb 0.41 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 1i4v n SER 67 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1i4v n ASP 68 N 0.67 -5.21 0.00 -3.46 5.75 -0.82 -4.66 116.55 108.83 1i4v n ASP 68 Ca 0.28 0.38 0.00 0.00 -0.01 0.00 0.00 54.79 55.43 1i4v n ASP 68 Cb 0.46 -1.21 0.00 0.00 -1.03 0.00 0.00 41.12 39.34 1i4v n ASP 68 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1i4v n GLY 69 N 1.28 0.78 3.62 6.12 0.00 -1.09 -4.93 105.19 110.96 1i4v n GLY 69 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.30 -0.08 -0.18 1.61 1.47 -1.26 -4.86 116.67 113.07 1i4v s ASP 70 Ca 0.00 -0.11 -0.02 0.00 1.18 0.00 0.00 52.55 53.60 1i4v s ASP 70 Cb 0.00 0.16 -0.01 0.00 -0.34 0.00 0.00 42.92 42.73 1i4v s ASP 70 CO 0.00 -0.29 -0.08 -0.22 0.68 0.00 0.00 175.17 175.26 1i4v s LEU 71 N -2.79 2.79 -0.06 2.11 0.20 -1.11 -2.67 118.68 117.15 1i4v s LEU 71 Ca 0.13 -0.38 -0.23 0.00 0.69 0.00 0.00 54.13 54.35 1i4v s LEU 71 Cb 0.03 -1.68 -0.04 0.00 -0.43 0.00 0.00 46.19 44.08 1i4v s LEU 71 CO -0.04 0.05 0.67 -0.22 -0.29 0.00 0.00 176.35 176.52 1i4v s LEU 72 N 1.03 4.33 -0.33 -0.68 1.98 -1.01 -2.83 118.68 121.17 1i4v s LEU 72 Ca -0.00 1.16 0.02 0.00 -2.89 0.00 0.00 54.13 52.42 1i4v s LEU 72 Cb -0.15 -3.03 0.10 0.00 0.66 0.00 0.00 46.19 43.77 1i4v s LEU 72 CO -0.01 -0.08 0.07 -0.63 -1.89 0.00 0.00 176.35 173.81 1i4v s ILE 73 N 0.66 1.70 -0.58 6.68 -1.09 -1.02 -2.03 121.20 125.52 1i4v s ILE 73 Ca 0.36 -1.94 -0.27 0.00 -2.23 0.00 0.00 60.65 56.57 1i4v s ILE 73 Cb -0.18 -2.26 0.03 0.00 -1.58 0.00 0.00 42.46 38.48 1i4v s ILE 73 CO 0.17 -0.62 1.10 0.54 -1.23 0.00 0.00 174.94 174.90 1i4v s VAL 74 N 1.20 4.15 -0.72 2.92 0.11 0.21 -3.25 120.40 125.02 1i4v s VAL 74 Ca 0.10 0.64 -0.23 0.00 -2.93 0.00 0.00 61.98 59.56 1i4v s VAL 74 Cb -0.18 -4.66 0.07 0.00 -1.53 0.00 0.00 36.38 30.07 1i4v s VAL 74 CO -0.15 -1.28 1.06 -1.81 -3.33 0.00 0.00 175.10 169.59 1i4v s ASP 75 N 2.95 6.23 -0.57 3.54 1.11 0.12 -0.34 116.67 129.71 1i4v s ASP 75 Ca 0.38 -1.01 -0.20 0.00 0.18 0.00 0.00 52.55 51.91 1i4v s ASP 75 Cb -0.09 -2.45 0.08 0.00 1.07 0.00 0.00 42.92 41.53 1i4v s ASP 75 CO 0.22 -1.49 0.72 -0.94 1.18 0.00 0.00 175.17 174.87 1i4v s SER 76 N 3.75 6.20 0.00 0.27 1.04 -0.82 -1.68 113.70 122.46 1i4v s SER 76 Ca 0.27 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1i4v s SER 76 Cb -0.13 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1i4v s SER 76 CO 0.08 -1.10 0.00 0.00 0.98 0.00 0.00 173.24 173.21 1i4v n ALA 77 N 6.50 0.00 -2.22 5.32 0.00 -1.26 -4.60 120.51 124.25 1i4v n ALA 77 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.09 1i4v n ALA 77 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.25 4.88 -0.15 0.00 1.01 -1.26 -4.99 121.20 119.44 1i4v s ILE 78 Ca 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.93 1i4v s ILE 78 Cb 0.00 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 1i4v s ILE 78 CO 0.00 -0.85 -0.08 -0.89 0.00 0.00 0.00 174.94 173.12 1i4v s THR 79 N -2.76 3.48 0.00 2.92 2.01 -1.26 -3.99 115.64 116.04 1i4v s THR 79 Ca 0.48 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1i4v s THR 79 Cb -0.10 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 69.90 1i4v s THR 79 CO 0.45 0.50 0.00 0.00 -0.69 0.00 0.00 174.62 174.88 1i4v n ALA 80 N 3.67 0.00 -2.59 7.40 0.00 -1.26 -5.06 120.51 122.67 1i4v n ALA 80 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.16 1i4v n ALA 80 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.37 0.09 0.39 0.00 0.01 -1.26 -5.07 113.70 107.48 1i4v s SER 81 Ca 0.00 -1.04 -0.25 0.00 1.31 0.00 0.00 55.95 55.97 1i4v s SER 81 Cb 0.00 0.42 -0.11 0.00 0.21 0.00 0.00 66.02 66.54 1i4v s SER 81 CO 0.00 -0.89 1.02 1.41 0.41 0.00 0.00 173.24 175.19 1i4v n HIS 82 N -0.23 1.25 -1.39 2.43 8.25 -1.26 -2.58 115.22 121.69 1i4v n HIS 82 Ca -0.04 0.58 0.00 0.00 -0.26 0.00 0.00 57.72 58.00 1i4v n HIS 82 Cb 0.63 -2.24 0.00 0.00 1.12 0.00 0.00 29.99 29.50 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 1.17 0.67 2.73 -1.41 0.00 -1.14 -4.98 105.19 102.23 1i4v n GLY 83 Ca 0.09 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.79 1.33 -0.68 1.61 1.01 -1.07 -4.99 116.67 111.10 1i4v s ASP 84 Ca 0.00 -0.01 -0.26 0.00 0.71 0.00 0.00 52.55 52.99 1i4v s ASP 84 Cb 0.00 -0.30 -0.13 0.00 1.01 0.00 0.00 42.92 43.50 1i4v s ASP 84 CO 0.00 -0.21 2.47 0.00 0.21 0.00 0.00 175.17 177.64 1i4v n ILE 85 N 5.15 -0.05 -3.97 0.77 3.06 -1.26 -4.53 119.36 118.53 1i4v n ILE 85 Ca -0.07 -0.55 0.00 0.00 -2.50 0.00 0.00 62.75 59.63 1i4v n ILE 85 Cb 0.50 -1.99 0.00 0.00 0.54 0.00 0.00 39.64 38.69 1i4v n ILE 85 CO 0.00 0.00 0.00 1.33 -2.50 0.00 0.00 176.55 175.38 1i4v n VAL 86 N 7.85 0.00 -3.60 9.51 0.24 -1.26 -4.38 118.33 126.69 1i4v n VAL 86 Ca 0.47 0.00 -0.39 0.00 -2.04 0.00 0.00 64.34 62.38 1i4v n VAL 86 Cb 0.38 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.64 1i4v n VAL 86 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1i4v s ILE 87 N -1.87 5.07 0.53 1.34 1.10 -1.00 -3.04 121.20 123.35 1i4v s ILE 87 Ca 0.00 -0.08 -0.03 0.00 -0.51 0.00 0.00 60.65 60.03 1i4v s ILE 87 Cb 0.00 -3.50 0.01 0.00 0.15 0.00 0.00 42.46 39.12 1i4v s ILE 87 CO 0.00 0.15 0.80 0.00 -2.11 0.00 0.00 174.94 173.79 1i4v s ALA 88 N 1.71 3.52 -0.17 1.50 0.00 0.17 -2.14 121.76 126.35 1i4v s ALA 88 Ca 0.06 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 1i4v s ALA 88 Cb -0.16 -2.38 0.05 0.00 0.00 0.00 0.00 23.12 20.63 1i4v s ALA 88 CO 0.09 -0.64 0.42 0.00 0.00 0.00 0.00 175.76 175.63 1i4v s ALA 89 N -2.81 -1.06 -0.20 0.00 0.00 -0.33 -2.58 121.76 114.78 1i4v s ALA 89 Ca 0.52 1.46 -0.08 0.00 0.00 0.00 0.00 51.96 53.86 1i4v s ALA 89 Cb -0.10 -0.88 0.08 0.00 0.00 0.00 0.00 23.12 22.22 1i4v s ALA 89 CO 0.42 -0.25 0.43 0.54 0.00 0.00 0.00 175.76 176.90 1i4v s VAL 90 N 1.12 -0.48 -1.47 0.00 0.11 -1.24 -2.86 120.40 115.59 1i4v s VAL 90 Ca -0.07 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1i4v s VAL 90 Cb -0.07 -0.68 0.00 0.00 -1.53 0.00 0.00 36.38 34.10 1i4v s VAL 90 CO -0.10 0.06 0.00 0.47 -3.33 0.00 0.00 175.10 172.20 1i4v n ASP 91 N 5.06 -4.26 -0.06 3.54 9.92 -1.26 -1.31 116.55 128.18 1i4v n ASP 91 Ca -0.13 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.39 1i4v n ASP 91 Cb 0.51 -3.75 0.00 0.00 -0.64 0.00 0.00 41.12 37.24 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 -0.55 1.30 3.81 0.44 0.00 -1.26 -5.10 105.19 103.84 1i4v n GLY 92 Ca -0.16 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.87 2.63 -0.30 1.61 2.02 -0.43 -5.11 118.70 117.26 1i4v s GLU 93 Ca 0.00 -1.35 -0.01 0.00 0.02 0.00 0.00 54.97 53.63 1i4v s GLU 93 Cb 0.00 -2.39 0.12 0.00 0.10 0.00 0.00 34.13 31.96 1i4v s GLU 93 CO 0.00 0.13 0.24 -0.06 0.02 0.00 0.00 175.26 175.59 1i4v s PHE 94 N -2.32 -0.10 0.32 1.61 0.08 -1.26 -3.66 117.98 112.65 1i4v s PHE 94 Ca 0.39 -0.56 0.08 0.00 0.12 0.00 0.00 56.93 56.96 1i4v s PHE 94 Cb -0.05 -0.64 -0.04 0.00 -0.57 0.00 0.00 43.02 41.71 1i4v s PHE 94 CO 0.25 -0.89 0.13 0.95 -0.10 0.00 0.00 175.22 175.57 1i4v s THR 95 N 2.12 3.27 -0.34 0.64 -4.23 -1.07 -4.90 115.64 111.14 1i4v s THR 95 Ca 0.10 -1.68 -0.01 0.00 -1.18 0.00 0.00 61.69 58.92 1i4v s THR 95 Cb -0.15 -3.01 0.12 0.00 1.34 0.00 0.00 72.50 70.80 1i4v s THR 95 CO -0.30 -0.23 0.17 -0.69 -0.54 0.00 0.00 174.62 173.02 1i4v s VAL 96 N -2.37 0.46 0.00 2.29 1.01 -1.26 -0.65 120.40 119.88 1i4v s VAL 96 Ca 0.36 -1.54 -0.29 0.00 0.00 0.00 0.00 61.98 60.51 1i4v s VAL 96 Cb -0.04 -1.35 0.11 0.00 0.00 0.00 0.00 36.38 35.10 1i4v s VAL 96 CO 0.23 -0.84 1.26 -0.75 0.00 0.00 0.00 175.10 175.00 1i4v s LYS 97 N 1.34 0.48 -0.26 2.72 2.47 -1.17 -3.77 119.74 121.55 1i4v s LYS 97 Ca 0.14 -0.28 -0.29 0.00 -1.56 0.00 0.00 55.97 53.98 1i4v s LYS 97 Cb -0.20 0.16 -0.00 0.00 -1.46 0.00 0.00 37.83 36.32 1i4v s LYS 97 CO -0.15 -0.22 1.25 0.15 0.16 0.00 0.00 175.35 176.54 1i4v s LYS 98 N -2.39 4.04 0.15 4.03 1.02 -1.26 -4.07 119.74 121.26 1i4v s LYS 98 Ca 0.17 1.34 0.10 0.00 0.02 0.00 0.00 55.97 57.60 1i4v s LYS 98 Cb 0.03 -3.82 -0.04 0.00 -0.52 0.00 0.00 37.83 33.49 1i4v s LYS 98 CO -0.03 -0.95 -0.23 -0.48 -0.92 0.00 0.00 175.35 172.75 1i4v s LEU 99 N 3.98 2.38 -0.07 3.17 2.34 -1.26 -4.64 118.68 124.57 1i4v s LEU 99 Ca 0.54 -0.80 0.04 0.00 0.06 0.00 0.00 54.13 53.96 1i4v s LEU 99 Cb -0.17 -1.04 0.00 0.00 -0.56 0.00 0.00 46.19 44.42 1i4v s LEU 99 CO 0.19 0.08 -0.18 -1.10 -1.06 0.00 0.00 176.35 174.28 1i4v s GLN 100 N -2.39 2.23 0.00 1.48 1.11 -1.13 -2.88 119.66 118.08 1i4v s GLN 100 Ca 0.15 -0.65 0.00 0.00 0.01 0.00 0.00 55.36 54.87 1i4v s GLN 100 Cb -0.08 -1.79 0.00 0.00 -1.01 0.00 0.00 33.01 30.13 1i4v s GLN 100 CO 0.07 0.15 0.00 1.28 0.01 0.00 0.00 175.29 176.80 1i4v n LEU 101 N 3.50 0.00 0.23 2.90 4.77 -1.18 -1.70 117.00 125.52 1i4v n LEU 101 Ca -0.20 -0.18 -0.10 0.00 -0.03 0.00 0.00 56.01 55.50 1i4v n LEU 101 Cb 0.52 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1i4v n LEU 101 CO 0.26 0.00 0.27 0.03 -1.33 0.00 0.00 177.39 176.62 1i4v h ARG 102 N 0.00 -0.62 0.06 3.23 -0.00 -1.99 -3.33 114.38 111.73 1i4v h ARG 102 Ca 0.00 0.04 -0.00 0.00 -0.50 0.00 0.00 59.98 59.52 1i4v h ARG 102 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 29.97 30.11 1i4v h ARG 102 CO 0.00 -0.40 -0.03 -1.00 0.00 0.00 0.00 179.97 178.54 1i4v h PRO 103 N -1.16 -0.08 -3.19 0.04 0.13 -2.02 -3.46 132.00 122.26 1i4v h PRO 103 Ca -0.07 0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.98 1i4v h PRO 103 Cb 0.51 0.02 -0.17 0.00 0.13 0.00 0.00 31.00 31.49 1i4v h PRO 103 CO 0.11 0.08 -0.18 0.99 -0.23 0.00 0.00 178.00 178.76 1i4v s THR 104 N -5.63 0.07 -0.71 1.56 2.01 -1.25 -5.10 115.64 106.59 1i4v s THR 104 Ca -0.14 -0.58 -0.25 0.00 0.31 0.00 0.00 61.69 61.03 1i4v s THR 104 Cb 0.05 -0.95 0.05 0.00 0.01 0.00 0.00 72.50 71.66 1i4v s THR 104 CO 0.65 -0.32 1.13 0.68 -0.69 0.00 0.00 174.62 176.07 1i4v s VAL 105 N -2.54 4.04 -0.01 3.82 -7.23 -1.26 -3.09 120.40 114.13 1i4v s VAL 105 Ca -0.05 -0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.09 1i4v s VAL 105 Cb -0.01 -4.81 0.01 0.00 0.56 0.00 0.00 36.38 32.14 1i4v s VAL 105 CO -0.03 -1.66 0.00 -1.10 -0.31 0.00 0.00 175.10 172.00 1i4v s GLN 106 N 4.85 0.09 0.02 4.82 -1.52 -0.69 -2.21 119.66 125.02 1i4v s GLN 106 Ca 0.29 0.05 0.02 0.00 -1.95 0.00 0.00 55.36 53.78 1i4v s GLN 106 Cb -0.12 -0.20 -0.02 0.00 -0.22 0.00 0.00 33.01 32.45 1i4v s GLN 106 CO 0.11 -0.06 -0.08 -1.17 -0.25 0.00 0.00 175.29 173.84 1i4v s LEU 107 N 0.49 2.14 -0.48 2.90 2.96 -1.12 -2.83 118.68 122.75 1i4v s LEU 107 Ca -0.04 -0.35 0.06 0.00 -0.22 0.00 0.00 54.13 53.58 1i4v s LEU 107 Cb -0.07 -0.28 0.19 0.00 0.50 0.00 0.00 46.19 46.53 1i4v s LEU 107 CO -0.01 -0.05 0.61 0.00 -1.32 0.00 0.00 176.35 175.58 1i4v n ILE 108 N 2.15 -0.42 0.00 6.68 0.13 -1.26 -2.68 119.36 123.97 1i4v n ILE 108 Ca -0.18 -1.95 0.00 0.00 -1.10 0.00 0.00 62.75 59.52 1i4v n ILE 108 Cb 0.56 0.07 0.00 0.00 -0.84 0.00 0.00 39.64 39.44 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 2.70 2.29 -1.00 9.51 -0.05 -1.26 -4.79 135.00 142.41 1i4v n PRO 109 Ca 0.21 0.00 0.12 0.00 -0.05 0.00 0.00 63.50 63.78 1i4v n PRO 109 Cb 0.54 0.00 -0.06 0.00 -0.05 0.00 0.00 33.50 33.93 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 -2.25 0.02 0.54 2.81 -1.26 -4.52 117.12 112.46 1i4v n MET 110 Ca 0.00 1.79 0.00 0.00 -1.81 0.00 0.00 57.70 57.68 1i4v n MET 110 Cb 0.00 -2.66 0.00 0.00 -0.71 0.00 0.00 33.22 29.85 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 -3.68 0.22 0.07 7.83 5.15 0.41 -4.51 115.26 120.76 1i4v n ASN 111 Ca -0.05 0.08 -0.21 0.00 -0.60 0.00 0.00 54.58 53.80 1i4v n ASN 111 Cb 0.47 -0.03 -0.15 0.00 -0.53 0.00 0.00 39.78 39.54 1i4v n ASN 111 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1i4v h SER 112 N 0.00 0.55 -1.14 1.20 4.64 -1.73 -3.33 113.55 113.74 1i4v h SER 112 Ca 0.00 -0.94 -0.72 0.00 -0.47 0.00 0.00 61.79 59.66 1i4v h SER 112 Cb 0.00 -0.18 -0.13 0.00 -0.31 0.00 0.00 62.40 61.78 1i4v h SER 112 CO 0.00 1.45 2.26 0.00 -0.87 0.00 0.00 176.83 179.68 1i4v n ALA 113 N -2.68 6.79 -1.82 5.18 0.00 -1.26 -4.98 120.51 121.75 1i4v n ALA 113 Ca -0.14 -4.00 -0.42 0.00 0.00 0.00 0.00 53.44 48.87 1i4v n ALA 113 Cb 0.87 -2.72 -0.03 0.00 0.00 0.00 0.00 19.45 17.57 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 -1.20 2.58 -0.46 0.00 1.13 -1.25 -4.84 117.35 113.31 1i4v s TYR 114 Ca 0.54 0.29 0.03 0.00 -1.41 0.00 0.00 57.07 56.52 1i4v s TYR 114 Cb 0.20 -4.06 0.16 0.00 -1.10 0.00 0.00 41.96 37.16 1i4v s TYR 114 CO -0.10 -4.17 0.32 -1.12 -2.51 0.00 0.00 175.55 167.96 1i4v s SER 115 N 1.97 2.87 0.22 -0.18 0.01 -1.26 -5.08 113.70 112.24 1i4v s SER 115 Ca 0.75 -2.93 -0.32 0.00 1.31 0.00 0.00 55.95 54.76 1i4v s SER 115 Cb -0.45 -0.79 -0.13 0.00 0.21 0.00 0.00 66.02 64.86 1i4v s SER 115 CO 0.33 -0.21 1.62 -2.65 0.41 0.00 0.00 173.24 172.75 1i4v n PRO 116 N 3.09 2.51 -3.80 12.44 -0.01 -1.26 -4.80 135.00 143.17 1i4v n PRO 116 Ca 0.19 0.90 -0.14 0.00 -0.01 0.00 0.00 63.50 64.44 1i4v n PRO 116 Cb 0.40 -2.69 -0.15 0.00 -0.01 0.00 0.00 33.50 31.05 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 0.72 -0.04 0.30 4.25 2.07 -1.09 -5.05 121.20 122.35 1i4v s ILE 117 Ca 0.73 0.16 -0.11 0.00 -1.41 0.00 0.00 60.65 60.02 1i4v s ILE 117 Cb -0.57 -0.07 -0.07 0.00 0.13 0.00 0.00 42.46 41.88 1i4v s ILE 117 CO 0.39 0.06 0.65 0.28 -1.91 0.00 0.00 174.94 174.42 1i4v s THR 118 N 0.79 4.83 0.41 4.00 -1.32 -1.26 -2.78 115.64 120.31 1i4v s THR 118 Ca -0.07 0.61 0.08 0.00 -1.21 0.00 0.00 61.69 61.10 1i4v s THR 118 Cb -0.09 -3.65 -0.02 0.00 -1.51 0.00 0.00 72.50 67.23 1i4v s THR 118 CO -0.02 -0.22 0.40 -0.63 -2.21 0.00 0.00 174.62 171.94 1i4v s ILE 119 N -2.00 2.84 0.00 5.08 1.01 -0.94 -4.97 121.20 122.22 1i4v s ILE 119 Ca 0.50 -1.29 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1i4v s ILE 119 Cb -0.11 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.33 1i4v s ILE 119 CO 0.23 -0.02 0.00 -1.20 0.00 0.00 0.00 174.94 173.94 1i4v n SER 120 N -1.58 -0.93 -3.50 3.58 7.64 -1.26 -4.59 113.62 112.98 1i4v n SER 120 Ca 0.04 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.54 1i4v n SER 120 Cb 0.61 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.76 1i4v n SER 120 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1i4v n SER 121 N -1.40 2.76 -3.49 6.43 2.88 -1.26 -4.31 113.62 115.23 1i4v n SER 121 Ca 0.00 -2.57 -0.22 0.00 -1.33 0.00 0.00 58.87 54.75 1i4v n SER 121 Cb 0.00 -1.04 0.04 0.00 -0.75 0.00 0.00 64.21 62.46 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 6.48 -1.50 0.00 -1.46 2.13 -1.26 -4.96 120.64 120.07 1i4v n GLU 122 Ca 0.47 0.75 0.00 0.00 0.66 0.00 0.00 57.16 59.04 1i4v n GLU 122 Cb 0.34 -4.64 0.00 0.00 0.27 0.00 0.00 31.44 27.41 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 -2.66 0.00 -3.32 4.31 9.92 -1.26 -4.82 116.55 118.73 1i4v n ASP 123 Ca -0.09 0.44 -0.24 0.00 -0.53 0.00 0.00 54.79 54.37 1i4v n ASP 123 Cb 0.59 -0.33 -0.09 0.00 -0.64 0.00 0.00 41.12 40.65 1i4v n ASP 123 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1i4v s THR 124 N -1.02 0.12 -0.34 -3.53 2.01 -1.26 -5.07 115.64 106.54 1i4v s THR 124 Ca 0.00 -2.27 0.01 0.00 0.31 0.00 0.00 61.69 59.74 1i4v s THR 124 Cb 0.00 -1.05 0.11 0.00 0.01 0.00 0.00 72.50 71.56 1i4v s THR 124 CO 0.00 -1.03 0.11 -0.76 -0.69 0.00 0.00 174.62 172.25 1i4v s LEU 125 N 0.33 3.02 -0.00 4.42 2.01 -1.26 -4.26 118.68 122.94 1i4v s LEU 125 Ca 0.30 -1.97 -0.10 0.00 0.01 0.00 0.00 54.13 52.37 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 -0.15 -0.38 0.20 -0.62 1.01 0.00 0.00 176.35 176.41 1i4v s ASP 126 N 1.17 -0.05 0.31 2.29 2.15 -1.13 -4.98 116.67 116.43 1i4v s ASP 126 Ca 0.12 -0.09 -0.17 0.00 0.43 0.00 0.00 52.55 52.83 1i4v s ASP 126 Cb -0.19 0.25 -0.09 0.00 -0.30 0.00 0.00 42.92 42.59 1i4v s ASP 126 CO -0.16 -0.39 0.77 -0.69 -0.17 0.00 0.00 175.17 174.53 1i4v s VAL 127 N -1.33 4.60 -0.21 1.11 1.01 -1.26 -1.19 120.40 123.13 1i4v s VAL 127 Ca -0.14 1.12 0.10 0.00 0.00 0.00 0.00 61.98 63.06 1i4v s VAL 127 Cb -0.07 -3.68 -0.22 0.00 0.00 0.00 0.00 36.38 32.42 1i4v s VAL 127 CO 0.02 -0.10 0.01 0.33 0.00 0.00 0.00 175.10 175.36 1i4v n PHE 128 N -0.13 0.15 -1.78 5.22 7.35 -0.91 -4.90 117.46 122.47 1i4v n PHE 128 Ca 0.03 0.04 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 1i4v n PHE 128 Cb 0.53 -1.02 0.00 0.00 0.35 0.00 0.00 39.48 39.33 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 1.96 2.57 3.19 7.13 0.00 -1.26 -4.43 105.19 114.35 1i4v n GLY 129 Ca -0.37 -0.56 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 1i4v n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i4v s VAL 130 N -1.88 1.48 -0.39 1.61 1.01 -0.68 -2.37 120.40 119.18 1i4v s VAL 130 Ca 0.00 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1i4v s VAL 130 Cb 0.00 -1.24 0.13 0.00 0.00 0.00 0.00 36.38 35.27 1i4v s VAL 130 CO 0.00 0.36 0.19 0.54 0.00 0.00 0.00 175.10 176.20 1i4v s VAL 131 N -0.51 1.02 0.00 2.92 0.11 -1.26 -0.70 120.40 121.99 1i4v s VAL 131 Ca 0.07 -2.08 0.00 0.00 -2.93 0.00 0.00 61.98 57.04 1i4v s VAL 131 Cb -0.07 -1.74 0.00 0.00 -1.53 0.00 0.00 36.38 33.04 1i4v s VAL 131 CO -0.00 -0.85 0.63 0.00 -3.33 0.00 0.00 175.10 171.54 1i4v n ILE 132 N 3.99 0.00 -2.23 7.04 3.06 -1.25 -4.80 119.36 125.18 1i4v n ILE 132 Ca 0.06 0.00 -0.43 0.00 -2.50 0.00 0.00 62.75 59.89 1i4v n ILE 132 Cb 0.37 0.47 -0.02 0.00 0.54 0.00 0.00 39.64 40.99 1i4v n ILE 132 CO 0.00 0.00 0.00 -1.00 -2.50 0.00 0.00 176.55 173.05 1i4v s HIS 133 N 0.00 2.17 -0.23 9.51 3.76 -1.20 -4.95 115.29 124.34 1i4v s HIS 133 Ca 0.00 0.64 -0.11 0.00 -0.15 0.00 0.00 55.06 55.45 1i4v s HIS 133 Cb 0.00 -4.25 -0.05 0.00 1.11 0.00 0.00 32.58 29.39 1i4v s HIS 133 CO 0.00 -2.30 0.16 0.08 -0.85 0.00 0.00 174.74 171.83 1i4v s VAL 134 N 6.13 5.36 -0.41 -0.90 1.01 -1.26 -2.44 120.40 127.89 1i4v s VAL 134 Ca 0.66 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.85 1i4v s VAL 134 Cb -0.16 -3.50 0.11 0.00 0.00 0.00 0.00 36.38 32.83 1i4v s VAL 134 CO 0.32 0.36 0.16 -0.69 0.00 0.00 0.00 175.10 175.24 1i4v s VAL 135 N 0.98 2.72 -0.74 2.92 1.01 -1.13 -4.99 120.40 121.17 1i4v s VAL 135 Ca 0.08 -2.47 -0.25 0.00 0.00 0.00 0.00 61.98 59.34 1i4v s VAL 135 Cb -0.13 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.38 1i4v s VAL 135 CO 0.04 -0.68 1.16 -0.54 0.00 0.00 0.00 175.10 175.08 1i4v s LYS 136 N 0.71 3.21 -0.62 2.72 -0.14 -1.26 -2.76 119.74 121.59 1i4v s LYS 136 Ca 0.12 -0.62 -0.28 0.00 -1.36 0.00 0.00 55.97 53.83 1i4v s LYS 136 Cb -0.21 -4.32 0.03 0.00 -1.68 0.00 0.00 37.83 31.65 1i4v s LYS 136 CO -0.05 -2.00 1.20 0.00 -0.76 0.00 0.00 175.35 173.74 1i4v s ALA 137 N 4.86 2.94 -0.00 5.17 0.00 -1.26 -4.99 121.76 128.48 1i4v s ALA 137 Ca 0.30 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.31 1i4v s ALA 137 Cb -0.11 -4.08 -0.01 0.00 0.00 0.00 0.00 23.12 18.91 1i4v s ALA 137 CO 0.10 -2.82 -0.17 -1.64 0.00 0.00 0.00 175.76 171.23 1i4v s MET 138 N 5.11 1.29 0.00 0.00 -1.94 -1.26 -5.07 119.30 117.43 1i4v s MET 138 Ca 0.40 -0.64 0.00 0.00 -1.71 0.00 0.00 55.69 53.74 1i4v s MET 138 Cb -0.08 -1.27 0.00 0.00 2.01 0.00 0.00 34.83 35.49 1i4v s MET 138 CO 0.22 0.34 0.00 2.89 -0.01 0.00 0.00 175.02 178.46