#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4v h PHE 26 N 0.00 -0.17 -0.72 0.00 0.04 -2.12 -3.39 116.94 110.57 1i4v h PHE 26 Ca 0.00 -0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 1i4v h PHE 26 Cb 0.00 0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 1i4v h PHE 26 CO 0.00 0.25 0.50 -2.14 -0.60 0.00 0.00 178.31 176.32 1i4v s PRO 27 N -4.14 1.87 0.36 1.51 0.02 -1.26 -4.90 135.00 128.47 1i4v s PRO 27 Ca -0.14 0.57 0.04 0.00 0.02 0.00 0.00 61.00 61.48 1i4v s PRO 27 Cb 0.01 -4.77 -0.06 0.00 0.02 0.00 0.00 34.50 29.71 1i4v s PRO 27 CO 0.58 -4.01 0.06 0.45 -0.33 0.00 0.00 177.00 173.75 1i4v s SER 28 N 10.63 2.79 -1.06 2.53 0.15 -1.26 -5.02 113.70 122.46 1i4v s SER 28 Ca 0.89 -1.44 -0.26 0.00 0.70 0.00 0.00 55.95 55.84 1i4v s SER 28 Cb -0.13 -0.01 -0.21 0.00 -1.71 0.00 0.00 66.02 63.97 1i4v s SER 28 CO 0.11 -0.65 2.13 -2.84 1.20 0.00 0.00 173.24 173.19 1i4v s PRO 29 N -3.84 1.32 -0.05 5.44 0.01 -1.26 -4.72 135.00 131.91 1i4v s PRO 29 Ca 0.32 -0.39 -0.16 0.00 0.01 0.00 0.00 61.00 60.78 1i4v s PRO 29 Cb 0.08 -4.98 -0.10 0.00 0.01 0.00 0.00 34.50 29.50 1i4v s PRO 29 CO 0.15 -5.28 0.66 0.00 0.01 0.00 0.00 177.00 172.54 1i4v h ALA 30 N 11.58 -0.41 -2.80 -1.55 0.00 -1.95 -3.44 119.26 120.69 1i4v h ALA 30 Ca 0.03 -0.14 -0.63 0.00 0.00 0.00 0.00 54.91 54.16 1i4v h ALA 30 Cb 0.99 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 1i4v h ALA 30 CO 1.03 -0.41 -0.37 0.00 0.00 0.00 0.00 179.25 179.50 1i4v s ALA 31 N -3.76 3.75 -0.24 0.00 0.00 -1.26 -5.07 121.76 115.18 1i4v s ALA 31 Ca -0.09 -0.48 -0.09 0.00 0.00 0.00 0.00 51.96 51.29 1i4v s ALA 31 Cb 0.01 -2.20 0.10 0.00 0.00 0.00 0.00 23.12 21.03 1i4v s ALA 31 CO 0.30 0.43 0.53 0.16 0.00 0.00 0.00 175.76 177.17 1i4v s ASP 32 N -0.60 -0.66 -0.40 0.00 -4.77 -1.26 -5.12 116.67 103.85 1i4v s ASP 32 Ca 0.17 1.23 -0.14 0.00 -3.30 0.00 0.00 52.55 50.51 1i4v s ASP 32 Cb -0.13 1.56 0.02 0.00 -1.09 0.00 0.00 42.92 43.27 1i4v s ASP 32 CO 0.06 -0.22 0.28 -0.47 0.70 0.00 0.00 175.17 175.51 1i4v s TYR 33 N 2.38 3.24 0.09 2.11 5.04 -1.26 -5.06 117.35 123.89 1i4v s TYR 33 Ca -0.05 -0.65 0.02 0.00 -2.44 0.00 0.00 57.07 53.95 1i4v s TYR 33 Cb -0.10 -2.55 -0.04 0.00 0.35 0.00 0.00 41.96 39.62 1i4v s TYR 33 CO -0.16 -0.59 -0.08 0.14 -1.34 0.00 0.00 175.55 173.53 1i4v s VAL 34 N 1.65 0.74 -0.60 3.14 -7.23 -1.26 -5.10 120.40 111.74 1i4v s VAL 34 Ca 0.04 -1.65 -0.24 0.00 -1.81 0.00 0.00 61.98 58.32 1i4v s VAL 34 Cb -0.19 -1.34 0.05 0.00 0.56 0.00 0.00 36.38 35.46 1i4v s VAL 34 CO 0.09 -0.67 1.00 -0.70 -0.31 0.00 0.00 175.10 174.52 1i4v s GLU 35 N -3.00 3.27 0.00 4.82 2.56 -1.26 -5.01 118.70 120.08 1i4v s GLU 35 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 54.97 54.64 1i4v s GLU 35 Cb -0.01 -4.11 0.00 0.00 2.00 0.00 0.00 34.13 32.01 1i4v s GLU 35 CO -0.02 -1.66 0.00 0.94 -0.56 0.00 0.00 175.26 173.96 1i4v n GLN 36 N 7.81 2.83 -1.19 4.30 -0.06 -1.26 -5.06 117.38 124.75 1i4v n GLN 36 Ca 0.01 0.00 0.01 0.00 -2.00 0.00 0.00 57.00 55.01 1i4v n GLN 36 Cb 0.47 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.65 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 0.00 0.00 -2.11 3.69 0.63 -1.26 -5.05 116.66 112.56 1i4v n ARG 37 Ca 0.00 -1.51 -0.35 0.00 -0.92 0.00 0.00 57.85 55.07 1i4v n ARG 37 Cb 0.00 0.06 -0.04 0.00 0.45 0.00 0.00 32.46 32.94 1i4v n ARG 37 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1i4v s ILE 38 N 0.00 3.44 -0.44 5.15 2.07 -1.26 -4.79 121.20 125.37 1i4v s ILE 38 Ca 0.19 -0.01 0.05 0.00 -1.41 0.00 0.00 60.65 59.47 1i4v s ILE 38 Cb 0.22 -4.09 0.41 0.00 0.13 0.00 0.00 42.46 39.13 1i4v s ILE 38 CO -0.10 -1.05 1.32 -0.67 -1.91 0.00 0.00 174.94 172.54 1i4v n ASP 39 N 12.70 3.50 0.34 4.50 2.03 -1.26 -4.43 116.55 133.94 1i4v n ASP 39 Ca 0.26 -2.67 -0.14 0.00 0.52 0.00 0.00 54.79 52.76 1i4v n ASP 39 Cb 0.50 -0.64 -0.07 0.00 -0.72 0.00 0.00 41.12 40.20 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 1.66 -0.77 -0.14 -2.67 5.85 -1.99 0.32 115.31 117.58 1i4v h LEU 40 Ca 0.15 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1i4v h LEU 40 Cb 1.62 0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.85 1i4v h LEU 40 CO 0.41 -0.41 0.00 -0.46 -0.34 0.00 0.00 178.44 177.65 1i4v n ASN 41 N -5.23 0.11 -0.09 1.25 0.23 -1.26 -2.55 115.26 107.73 1i4v n ASN 41 Ca -0.11 0.53 -0.13 0.00 -0.53 0.00 0.00 54.58 54.34 1i4v n ASN 41 Cb 0.36 -0.55 -0.06 0.00 -2.08 0.00 0.00 39.78 37.44 1i4v n ASN 41 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 1i4v n GLN 42 N -1.63 0.50 0.12 -3.83 -0.06 -1.07 -1.74 117.38 109.68 1i4v n GLN 42 Ca 0.03 0.53 0.11 0.00 -2.00 0.00 0.00 57.00 55.67 1i4v n GLN 42 Cb 0.16 -1.70 0.48 0.00 -4.06 0.00 0.00 30.24 25.12 1i4v n GLN 42 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1i4v n LEU 43 N -4.52 0.60 -0.03 1.69 -0.00 0.11 -2.82 117.00 112.02 1i4v n LEU 43 Ca -0.19 0.66 -0.00 0.00 -0.00 0.00 0.00 56.01 56.48 1i4v n LEU 43 Cb 0.46 -0.60 -0.07 0.00 -0.00 0.00 0.00 43.42 43.21 1i4v n LEU 43 CO 0.14 -0.58 -0.71 0.18 -0.00 0.00 0.00 177.39 176.42 1i4v n LEU 44 N -2.17 0.00 -4.15 1.47 4.32 -1.06 -5.05 117.00 110.36 1i4v n LEU 44 Ca 0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.89 1i4v n LEU 44 Cb 0.20 0.12 -0.08 0.00 -1.62 0.00 0.00 43.42 42.04 1i4v n LEU 44 CO 0.18 0.12 -0.11 -0.63 -1.22 0.00 0.00 177.39 175.73 1i4v s ILE 45 N -2.45 0.00 -0.38 -0.08 1.01 -0.71 -5.06 121.20 113.53 1i4v s ILE 45 Ca -0.04 -1.83 0.12 0.00 0.00 0.00 0.00 60.65 58.89 1i4v s ILE 45 Cb 0.04 -2.44 0.40 0.00 0.01 0.00 0.00 42.46 40.47 1i4v s ILE 45 CO 0.40 0.00 1.13 0.00 0.00 0.00 0.00 174.94 176.46 1i4v n GLN 46 N -0.35 1.13 -3.66 2.79 6.02 -1.24 -3.40 117.38 118.67 1i4v n GLN 46 Ca 0.02 -2.45 -0.15 0.00 -0.01 0.00 0.00 57.00 54.40 1i4v n GLN 46 Cb 0.64 -0.74 -0.08 0.00 1.02 0.00 0.00 30.24 31.08 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 -1.11 -0.44 0.41 1.08 3.76 -1.26 -5.02 115.29 112.70 1i4v s HIS 47 Ca 0.26 0.85 0.11 0.00 -0.15 0.00 0.00 55.06 56.12 1i4v s HIS 47 Cb 0.40 0.23 0.87 0.00 1.11 0.00 0.00 32.58 35.19 1i4v s HIS 47 CO -0.04 -0.44 1.96 -1.00 -0.85 0.00 0.00 174.74 174.37 1i4v h PRO 48 N 3.91 0.20 0.00 8.40 0.14 -1.99 -3.40 132.00 139.27 1i4v h PRO 48 Ca -0.28 -0.04 -0.05 0.00 0.14 0.00 0.00 66.00 65.77 1i4v h PRO 48 Cb 1.16 -0.03 -0.05 0.00 0.14 0.00 0.00 31.00 32.22 1i4v h PRO 48 CO 0.34 0.31 0.01 0.45 0.14 0.00 0.00 178.00 179.25 1i4v n SER 49 N -4.33 -0.56 -0.31 1.44 2.88 -1.26 -4.99 113.62 106.49 1i4v n SER 49 Ca -0.01 -1.38 0.08 0.00 -1.33 0.00 0.00 58.87 56.23 1i4v n SER 49 Cb 0.23 0.40 0.14 0.00 -0.75 0.00 0.00 64.21 64.23 1i4v n SER 49 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i4v n ALA 50 N -0.38 2.59 -2.98 -1.46 0.00 -1.26 -5.02 120.51 112.01 1i4v n ALA 50 Ca -0.10 -2.63 -0.32 0.00 0.00 0.00 0.00 53.44 50.39 1i4v n ALA 50 Cb 0.60 -0.40 -0.16 0.00 0.00 0.00 0.00 19.45 19.49 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 -2.56 2.24 0.20 0.00 2.01 -1.26 -2.09 115.64 114.17 1i4v s THR 51 Ca 0.30 -0.98 0.11 0.00 0.31 0.00 0.00 61.69 61.44 1i4v s THR 51 Cb 0.28 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 1i4v s THR 51 CO -0.01 0.56 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.94 1i4v s TYR 52 N 0.10 2.26 0.12 4.92 2.02 0.30 -4.86 117.35 122.20 1i4v s TYR 52 Ca -0.11 -0.36 -0.04 0.00 -0.37 0.00 0.00 57.07 56.19 1i4v s TYR 52 Cb -0.16 -1.10 -0.03 0.00 -0.40 0.00 0.00 41.96 40.27 1i4v s TYR 52 CO 0.06 0.52 0.11 -0.59 -1.57 0.00 0.00 175.55 174.08 1i4v s PHE 53 N -1.83 0.59 -0.22 2.71 -0.12 -1.26 0.16 117.98 118.02 1i4v s PHE 53 Ca 0.22 -1.01 -0.13 0.00 -0.05 0.00 0.00 56.93 55.96 1i4v s PHE 53 Cb -0.07 -0.31 0.07 0.00 -0.63 0.00 0.00 43.02 42.07 1i4v s PHE 53 CO 0.10 -0.54 0.54 0.54 -0.05 0.00 0.00 175.22 175.81 1i4v s VAL 54 N -3.98 -0.01 0.07 -2.49 0.11 -0.81 -4.94 120.40 108.35 1i4v s VAL 54 Ca 0.17 0.05 -0.31 0.00 -2.93 0.00 0.00 61.98 58.96 1i4v s VAL 54 Cb 0.06 -0.78 -0.06 0.00 -1.53 0.00 0.00 36.38 34.06 1i4v s VAL 54 CO -0.03 0.02 1.27 -0.75 -3.33 0.00 0.00 175.10 172.28 1i4v s LYS 55 N 1.40 4.39 -0.70 1.54 2.36 -1.26 -1.52 119.74 125.95 1i4v s LYS 55 Ca -0.09 1.87 -0.27 0.00 -2.55 0.00 0.00 55.97 54.94 1i4v s LYS 55 Cb -0.07 -3.33 0.03 0.00 -1.05 0.00 0.00 37.83 33.42 1i4v s LYS 55 CO -0.15 -0.33 1.22 0.00 1.55 0.00 0.00 175.35 177.65 1i4v s ALA 56 N 1.15 2.83 -0.31 3.13 0.00 -0.39 -4.82 121.76 123.35 1i4v s ALA 56 Ca 0.61 -1.35 0.16 0.00 0.00 0.00 0.00 51.96 51.38 1i4v s ALA 56 Cb -0.32 -4.17 0.47 0.00 0.00 0.00 0.00 23.12 19.10 1i4v s ALA 56 CO 0.29 -3.12 1.08 0.43 0.00 0.00 0.00 175.76 174.43 1i4v n SER 57 N 9.02 2.59 -0.42 0.00 7.64 -1.26 -1.97 113.62 129.21 1i4v n SER 57 Ca 0.03 -2.78 0.00 0.00 1.01 0.00 0.00 58.87 57.12 1i4v n SER 57 Cb 0.49 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 -0.44 2.55 2.76 0.23 0.00 -1.26 -4.83 105.19 104.20 1i4v n GLY 58 Ca 0.19 -0.86 -0.03 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.42 1.12 -0.04 1.61 5.75 -1.26 -3.46 116.55 119.85 1i4v n ASP 59 Ca 0.00 -2.28 -0.03 0.00 -0.01 0.00 0.00 54.79 52.47 1i4v n ASP 59 Cb 0.00 -0.33 -0.09 0.00 -1.03 0.00 0.00 41.12 39.67 1i4v n ASP 59 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1i4v n SER 60 N -0.50 2.17 -2.19 -1.12 7.64 -1.26 -4.00 113.62 114.35 1i4v n SER 60 Ca 0.05 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.72 1i4v n SER 60 Cb 0.82 0.97 0.02 0.00 -1.01 0.00 0.00 64.21 65.01 1i4v n SER 60 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1i4v n MET 61 N -2.31 3.32 0.25 1.43 2.81 -1.26 -3.33 117.12 118.03 1i4v n MET 61 Ca -0.15 -4.12 0.13 0.00 -1.81 0.00 0.00 57.70 51.75 1i4v n MET 61 Cb 0.74 -2.18 0.59 0.00 -0.71 0.00 0.00 33.22 31.66 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 2.65 0.40 -0.55 2.02 2.04 -1.82 -2.00 117.51 120.25 1i4v h ILE 62 Ca 0.29 -0.83 0.16 0.00 1.00 0.00 0.00 64.86 65.48 1i4v h ILE 62 Cb 1.41 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 39.07 1i4v h ILE 62 CO 0.70 0.14 0.55 -2.24 0.00 0.00 0.00 178.15 177.30 1i4v h ASP 63 N 0.00 0.00 0.07 1.72 3.04 -1.85 0.56 116.42 119.96 1i4v h ASP 63 Ca -0.00 0.00 -0.29 0.00 -3.24 0.00 0.00 57.03 53.50 1i4v h ASP 63 Cb 0.59 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.86 1i4v h ASP 63 CO 0.02 0.00 -1.55 1.23 -2.04 0.00 0.00 179.24 176.89 1i4v h GLY 64 N 0.00 0.17 0.00 7.15 0.00 -1.70 -3.40 103.07 105.29 1i4v h GLY 64 Ca 0.26 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1i4v h GLY 64 CO -0.00 0.39 0.00 0.61 0.00 0.00 0.00 176.54 177.54 1i4v n GLY 65 N 1.71 0.38 3.56 4.60 0.00 0.19 -4.86 105.19 110.76 1i4v n GLY 65 Ca -0.30 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 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 3.29 -0.49 -0.61 -5.25 -1.24 -4.85 121.20 112.05 1i4v s ILE 66 Ca 0.00 0.19 0.08 0.00 -0.99 0.00 0.00 60.65 59.92 1i4v s ILE 66 Cb 0.00 -3.69 0.28 0.00 2.95 0.00 0.00 42.46 41.99 1i4v s ILE 66 CO 0.00 -0.65 0.68 -0.24 -1.79 0.00 0.00 174.94 172.94 1i4v n SER 67 N 13.18 1.95 -3.09 4.36 2.88 -1.26 -3.91 113.62 127.73 1i4v n SER 67 Ca 0.24 -3.10 0.00 0.00 -1.33 0.00 0.00 58.87 54.68 1i4v n SER 67 Cb 0.52 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 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 0.84 -6.98 0.00 -3.46 2.03 -1.06 -4.74 116.55 103.17 1i4v n ASP 68 Ca 0.26 0.66 0.00 0.00 0.52 0.00 0.00 54.79 56.23 1i4v n ASP 68 Cb 0.50 -1.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.36 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 1.87 0.94 3.65 0.27 0.00 -0.83 -4.98 105.19 106.11 1i4v n GLY 69 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.14 -0.22 -0.06 1.61 -4.77 -1.26 -4.17 116.67 106.66 1i4v s ASP 70 Ca 0.00 0.36 -0.18 0.00 -3.30 0.00 0.00 52.55 49.43 1i4v s ASP 70 Cb 0.00 1.02 -0.05 0.00 -1.09 0.00 0.00 42.92 42.80 1i4v s ASP 70 CO 0.00 -0.06 0.50 -0.22 0.70 0.00 0.00 175.17 176.09 1i4v s LEU 71 N 1.05 4.36 -0.01 2.11 1.98 0.12 -1.26 118.68 127.02 1i4v s LEU 71 Ca -0.07 0.95 -0.07 0.00 -2.89 0.00 0.00 54.13 52.05 1i4v s LEU 71 Cb -0.03 -2.75 -0.05 0.00 0.66 0.00 0.00 46.19 44.03 1i4v s LEU 71 CO -0.12 0.09 0.25 -0.22 -1.89 0.00 0.00 176.35 174.47 1i4v s LEU 72 N 0.06 4.38 -0.34 -0.68 0.20 -0.57 0.36 118.68 122.08 1i4v s LEU 72 Ca 0.27 0.55 0.02 0.00 0.69 0.00 0.00 54.13 55.66 1i4v s LEU 72 Cb -0.16 -2.60 0.10 0.00 -0.43 0.00 0.00 46.19 43.10 1i4v s LEU 72 CO 0.13 0.27 0.10 -0.63 -0.29 0.00 0.00 176.35 175.93 1i4v s ILE 73 N -1.27 1.54 0.24 6.68 -1.09 -0.77 -1.93 121.20 124.59 1i4v s ILE 73 Ca 0.26 -1.94 0.06 0.00 -2.23 0.00 0.00 60.65 56.80 1i4v s ILE 73 Cb -0.13 -2.14 -0.03 0.00 -1.58 0.00 0.00 42.46 38.57 1i4v s ILE 73 CO 0.15 -0.67 0.26 0.54 -1.23 0.00 0.00 174.94 173.99 1i4v s VAL 74 N 1.16 4.81 -0.36 2.92 0.11 0.41 -1.79 120.40 127.67 1i4v s VAL 74 Ca 0.11 -1.19 0.02 0.00 -2.93 0.00 0.00 61.98 58.00 1i4v s VAL 74 Cb -0.19 -3.59 0.11 0.00 -1.53 0.00 0.00 36.38 31.17 1i4v s VAL 74 CO -0.16 -0.32 0.10 -0.62 -3.33 0.00 0.00 175.10 170.78 1i4v s ASP 75 N -3.83 4.37 -0.74 3.54 2.15 -1.22 0.11 116.67 121.06 1i4v s ASP 75 Ca 0.33 -2.11 -0.27 0.00 0.43 0.00 0.00 52.55 50.93 1i4v s ASP 75 Cb -0.09 -1.32 0.03 0.00 -0.30 0.00 0.00 42.92 41.25 1i4v s ASP 75 CO 0.27 -0.37 1.28 -0.94 -0.17 0.00 0.00 175.17 175.24 1i4v s SER 76 N 0.98 6.16 0.00 -0.34 1.04 -0.89 -1.77 113.70 118.88 1i4v s SER 76 Ca 0.12 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1i4v s SER 76 Cb -0.20 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1i4v s SER 76 CO -0.12 -1.83 0.00 0.00 0.98 0.00 0.00 173.24 172.26 1i4v n ALA 77 N 9.36 0.00 -2.37 5.32 0.00 -1.25 -4.62 120.51 126.95 1i4v n ALA 77 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.28 1i4v n ALA 77 Cb 0.49 0.00 -0.01 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 -1.92 3.65 -0.38 0.00 1.09 -1.26 -5.01 121.20 117.37 1i4v s ILE 78 Ca 0.00 -1.10 -0.10 0.00 -1.10 0.00 0.00 60.65 58.35 1i4v s ILE 78 Cb 0.00 -3.25 0.04 0.00 -1.06 0.00 0.00 42.46 38.19 1i4v s ILE 78 CO 0.00 -0.12 0.21 -0.89 -0.10 0.00 0.00 174.94 174.04 1i4v s THR 79 N -2.26 4.41 0.00 2.92 2.01 -1.26 -3.70 115.64 117.76 1i4v s THR 79 Ca 0.46 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.46 1i4v s THR 79 Cb -0.08 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.91 1i4v s THR 79 CO 0.30 -0.29 0.00 0.00 -0.69 0.00 0.00 174.62 173.95 1i4v n ALA 80 N 4.96 0.00 -2.67 7.40 0.00 -1.15 -4.99 120.51 124.06 1i4v n ALA 80 Ca -0.12 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 1i4v n ALA 80 Cb 0.45 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.79 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 -2.01 1.07 0.31 0.00 0.01 -1.26 -4.98 113.70 106.84 1i4v s SER 81 Ca 0.00 -0.67 -0.28 0.00 1.31 0.00 0.00 55.95 56.30 1i4v s SER 81 Cb 0.00 0.03 -0.13 0.00 0.21 0.00 0.00 66.02 66.13 1i4v s SER 81 CO 0.00 -0.25 1.16 1.41 0.41 0.00 0.00 173.24 175.98 1i4v n HIS 82 N 1.05 1.80 -1.63 2.43 8.25 -1.26 -2.86 115.22 122.99 1i4v n HIS 82 Ca -0.20 0.62 0.00 0.00 -0.26 0.00 0.00 57.72 57.88 1i4v n HIS 82 Cb 0.56 -2.34 0.00 0.00 1.12 0.00 0.00 29.99 29.33 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 1.06 0.91 2.81 -1.41 0.00 -1.22 -4.98 105.19 102.35 1i4v n GLY 83 Ca 0.07 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.72 0.11 -0.81 1.61 1.11 -1.13 -4.99 116.67 109.84 1i4v s ASP 84 Ca 0.00 0.13 -0.25 0.00 0.18 0.00 0.00 52.55 52.61 1i4v s ASP 84 Cb 0.00 0.01 -0.16 0.00 1.07 0.00 0.00 42.92 43.84 1i4v s ASP 84 CO 0.00 -0.15 2.39 0.00 1.18 0.00 0.00 175.17 178.59 1i4v n ILE 85 N 4.30 0.00 -4.34 0.77 3.06 -1.26 -3.44 119.36 118.45 1i4v n ILE 85 Ca -0.25 -0.48 -0.19 0.00 -2.50 0.00 0.00 62.75 59.32 1i4v n ILE 85 Cb 0.50 -1.86 -0.09 0.00 0.54 0.00 0.00 39.64 38.73 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 14.00 0.28 -0.19 9.51 -7.23 -1.16 -4.27 120.40 131.34 1i4v s VAL 86 Ca 0.95 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.95 1i4v s VAL 86 Cb -0.17 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1i4v s VAL 86 CO 0.12 0.00 0.47 -0.51 -0.31 0.00 0.00 175.10 174.86 1i4v s ILE 87 N -3.55 5.15 0.54 -0.62 1.10 -1.26 -2.63 121.20 119.94 1i4v s ILE 87 Ca 0.35 0.86 -0.02 0.00 -0.51 0.00 0.00 60.65 61.33 1i4v s ILE 87 Cb 0.04 -3.80 0.01 0.00 0.15 0.00 0.00 42.46 38.87 1i4v s ILE 87 CO 0.19 0.23 0.81 0.00 -2.11 0.00 0.00 174.94 174.05 1i4v s ALA 88 N 1.37 3.56 -0.19 1.50 0.00 0.28 -0.78 121.76 127.50 1i4v s ALA 88 Ca 0.22 -0.97 -0.14 0.00 0.00 0.00 0.00 51.96 51.08 1i4v s ALA 88 Cb -0.15 -2.34 0.06 0.00 0.00 0.00 0.00 23.12 20.69 1i4v s ALA 88 CO 0.09 -0.69 0.48 0.00 0.00 0.00 0.00 175.76 175.64 1i4v s ALA 89 N -2.82 -1.22 -0.20 0.00 0.00 -0.12 -1.86 121.76 115.55 1i4v s ALA 89 Ca 0.53 1.56 -0.09 0.00 0.00 0.00 0.00 51.96 53.96 1i4v s ALA 89 Cb -0.10 -0.92 0.08 0.00 0.00 0.00 0.00 23.12 22.17 1i4v s ALA 89 CO 0.41 -0.26 0.45 0.54 0.00 0.00 0.00 175.76 176.90 1i4v s VAL 90 N 0.88 -0.34 -1.36 0.00 0.11 -1.24 -3.01 120.40 115.45 1i4v s VAL 90 Ca -0.05 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1i4v s VAL 90 Cb -0.06 -0.69 0.00 0.00 -1.53 0.00 0.00 36.38 34.10 1i4v s VAL 90 CO -0.07 0.05 0.00 0.47 -3.33 0.00 0.00 175.10 172.21 1i4v n ASP 91 N 4.81 -3.95 -0.01 3.54 8.00 -1.26 -0.95 116.55 126.74 1i4v n ASP 91 Ca -0.16 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1i4v n ASP 91 Cb 0.53 -3.51 0.00 0.00 -0.02 0.00 0.00 41.12 38.12 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 -0.52 1.53 3.90 0.44 0.00 -1.26 -5.09 105.19 104.18 1i4v n GLY 92 Ca -0.15 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.82 2.90 -0.35 1.61 2.02 -0.12 -5.10 118.70 117.85 1i4v s GLU 93 Ca 0.00 -1.15 -0.00 0.00 0.02 0.00 0.00 54.97 53.84 1i4v s GLU 93 Cb 0.00 -2.61 0.14 0.00 0.10 0.00 0.00 34.13 31.76 1i4v s GLU 93 CO 0.00 0.14 0.21 -0.06 0.02 0.00 0.00 175.26 175.57 1i4v s PHE 94 N -2.23 0.73 0.36 1.61 0.08 -1.26 -3.65 117.98 113.62 1i4v s PHE 94 Ca 0.41 -1.61 0.07 0.00 0.12 0.00 0.00 56.93 55.92 1i4v s PHE 94 Cb -0.07 -0.93 -0.02 0.00 -0.57 0.00 0.00 43.02 41.42 1i4v s PHE 94 CO 0.28 -0.83 0.36 0.95 -0.10 0.00 0.00 175.22 175.88 1i4v s THR 95 N 1.09 3.37 0.00 0.64 -4.23 -0.77 -4.89 115.64 110.84 1i4v s THR 95 Ca 0.18 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 1i4v s THR 95 Cb -0.23 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.45 1i4v s THR 95 CO -0.00 -0.12 0.00 0.52 -0.54 0.00 0.00 174.62 174.48 1i4v n VAL 96 N -1.49 0.00 -1.26 2.29 0.31 -1.26 0.10 118.33 117.02 1i4v n VAL 96 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.49 1i4v n VAL 96 Cb 0.60 -0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.48 1i4v n VAL 96 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1i4v n LYS 97 N 0.00 -2.53 -2.93 5.55 4.81 -1.08 -4.34 118.16 117.64 1i4v n LYS 97 Ca 0.00 1.82 -0.38 0.00 -0.87 0.00 0.00 58.31 58.87 1i4v n LYS 97 Cb 0.00 -3.10 -0.06 0.00 0.02 0.00 0.00 35.03 31.89 1i4v n LYS 97 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1i4v s LYS 98 N -2.82 4.56 0.09 1.64 -2.85 -1.22 -2.98 119.74 116.16 1i4v s LYS 98 Ca 0.00 1.18 0.09 0.00 -1.00 0.00 0.00 55.97 56.25 1i4v s LYS 98 Cb 0.00 -3.12 -0.03 0.00 -2.06 0.00 0.00 37.83 32.62 1i4v s LYS 98 CO 0.00 0.49 -0.24 -0.48 0.10 0.00 0.00 175.35 175.21 1i4v s LEU 99 N -1.45 2.26 -0.14 2.77 2.34 -1.26 -4.43 118.68 118.76 1i4v s LEU 99 Ca 0.40 -0.67 0.01 0.00 0.06 0.00 0.00 54.13 53.93 1i4v s LEU 99 Cb -0.22 -1.10 -0.00 0.00 -0.56 0.00 0.00 46.19 44.31 1i4v s LEU 99 CO 0.26 0.16 -0.17 -1.10 -1.06 0.00 0.00 176.35 174.44 1i4v s GLN 100 N -1.73 3.20 0.00 1.48 -0.21 -1.11 -3.43 119.66 117.86 1i4v s GLN 100 Ca 0.10 -0.77 0.00 0.00 0.02 0.00 0.00 55.36 54.72 1i4v s GLN 100 Cb -0.10 -2.57 0.00 0.00 1.00 0.00 0.00 33.01 31.34 1i4v s GLN 100 CO 0.04 0.06 0.00 1.28 -2.12 0.00 0.00 175.29 174.55 1i4v n LEU 101 N 3.94 0.00 -0.05 2.90 4.77 -1.22 -1.87 117.00 125.48 1i4v n LEU 101 Ca -0.19 -0.26 -0.20 0.00 -0.03 0.00 0.00 56.01 55.33 1i4v n LEU 101 Cb 0.52 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 1i4v n LEU 101 CO 0.29 0.00 -0.34 0.03 -1.33 0.00 0.00 177.39 176.03 1i4v h ARG 102 N 0.00 0.11 0.38 3.23 2.47 -1.99 -3.40 114.38 115.18 1i4v h ARG 102 Ca 0.00 -0.18 -0.02 0.00 -1.26 0.00 0.00 59.98 58.52 1i4v h ARG 102 Cb 0.00 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1i4v h ARG 102 CO 0.00 1.09 -0.18 -1.00 0.56 0.00 0.00 179.97 180.44 1i4v h PRO 103 N -0.68 -0.49 -3.78 0.04 0.14 -2.00 -3.48 132.00 121.76 1i4v h PRO 103 Ca -0.28 0.03 -0.09 0.00 0.14 0.00 0.00 66.00 65.80 1i4v h PRO 103 Cb 1.47 0.11 -0.09 0.00 0.14 0.00 0.00 31.00 32.62 1i4v h PRO 103 CO -0.06 -0.19 -0.17 0.99 0.14 0.00 0.00 178.00 178.71 1i4v s THR 104 N -3.94 0.00 -0.62 1.56 2.01 -1.26 -5.11 115.64 108.29 1i4v s THR 104 Ca -0.12 -1.48 -0.23 0.00 0.31 0.00 0.00 61.69 60.17 1i4v s THR 104 Cb 0.01 -2.29 0.06 0.00 0.01 0.00 0.00 72.50 70.29 1i4v s THR 104 CO 0.41 0.00 0.93 0.68 -0.69 0.00 0.00 174.62 175.95 1i4v s VAL 105 N -3.91 4.38 0.01 3.82 -7.23 -1.26 -3.38 120.40 112.82 1i4v s VAL 105 Ca 0.25 -0.18 -0.01 0.00 -1.81 0.00 0.00 61.98 60.23 1i4v s VAL 105 Cb 0.00 -4.61 -0.01 0.00 0.56 0.00 0.00 36.38 32.32 1i4v s VAL 105 CO 0.10 -1.31 -0.00 -1.10 -0.31 0.00 0.00 175.10 172.48 1i4v s GLN 106 N 3.93 0.21 0.05 4.82 -0.21 -0.78 -2.57 119.66 125.12 1i4v s GLN 106 Ca 0.24 -0.36 -0.07 0.00 0.02 0.00 0.00 55.36 55.19 1i4v s GLN 106 Cb -0.16 0.08 -0.01 0.00 1.00 0.00 0.00 33.01 33.92 1i4v s GLN 106 CO 0.13 -0.04 0.15 -1.17 -2.12 0.00 0.00 175.29 172.24 1i4v s LEU 107 N -0.91 1.59 0.00 2.90 2.96 0.11 -2.74 118.68 122.60 1i4v s LEU 107 Ca -0.10 -0.54 0.00 0.00 -0.22 0.00 0.00 54.13 53.27 1i4v s LEU 107 Cb -0.06 0.82 0.00 0.00 0.50 0.00 0.00 46.19 47.45 1i4v s LEU 107 CO -0.00 -0.59 0.00 0.00 -1.32 0.00 0.00 176.35 174.43 1i4v n ILE 108 N 0.46 0.00 0.18 6.68 3.06 -1.26 -2.81 119.36 125.66 1i4v n ILE 108 Ca -0.17 0.00 0.05 0.00 -2.50 0.00 0.00 62.75 60.12 1i4v n ILE 108 Cb 0.60 0.00 0.31 0.00 0.54 0.00 0.00 39.64 41.09 1i4v n ILE 108 CO 0.00 0.00 0.00 1.55 -2.50 0.00 0.00 176.55 175.60 1i4v h PRO 109 N 0.00 0.00 -0.94 9.51 0.14 -1.90 -3.38 132.00 135.43 1i4v h PRO 109 Ca 0.00 0.00 0.09 0.00 0.14 0.00 0.00 66.00 66.23 1i4v h PRO 109 Cb 0.00 0.00 -0.05 0.00 0.14 0.00 0.00 31.00 31.09 1i4v h PRO 109 CO 0.00 0.40 -0.34 -0.12 0.14 0.00 0.00 178.00 178.08 1i4v n MET 110 N -3.54 -0.90 0.00 0.86 1.56 -1.26 -1.36 117.12 112.48 1i4v n MET 110 Ca -0.00 0.73 0.00 0.00 -0.27 0.00 0.00 57.70 58.16 1i4v n MET 110 Cb 0.53 -1.05 0.00 0.00 2.15 0.00 0.00 33.22 34.85 1i4v n MET 110 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1i4v n ASN 111 N -2.66 0.00 -0.30 6.12 5.15 -1.21 -3.50 115.26 118.85 1i4v n ASN 111 Ca -0.02 0.00 0.27 0.00 -0.60 0.00 0.00 54.58 54.22 1i4v n ASN 111 Cb 0.19 0.00 0.60 0.00 -0.53 0.00 0.00 39.78 40.03 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 0.27 -1.03 1.20 4.64 -1.88 0.12 113.55 116.87 1i4v h SER 112 Ca 0.00 0.05 -0.50 0.00 -0.47 0.00 0.00 61.79 60.87 1i4v h SER 112 Cb 0.00 0.01 -0.17 0.00 -0.31 0.00 0.00 62.40 61.93 1i4v h SER 112 CO 0.00 0.06 0.46 0.00 -0.87 0.00 0.00 176.83 176.47 1i4v n ALA 113 N -2.58 6.47 -1.71 5.18 0.00 -1.26 -4.94 120.51 121.67 1i4v n ALA 113 Ca 0.24 -3.05 -0.43 0.00 0.00 0.00 0.00 53.44 50.20 1i4v n ALA 113 Cb 0.98 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.57 1.33 -0.30 0.00 1.13 0.03 -4.28 117.35 113.68 1i4v s TYR 114 Ca 0.59 0.57 -0.15 0.00 -1.41 0.00 0.00 57.07 56.67 1i4v s TYR 114 Cb 0.37 -3.98 0.18 0.00 -1.10 0.00 0.00 41.96 37.43 1i4v s TYR 114 CO -0.21 -3.79 1.09 -1.12 -2.51 0.00 0.00 175.55 169.01 1i4v s SER 115 N 7.74 -0.40 -0.50 -0.18 0.01 -0.46 -5.01 113.70 114.90 1i4v s SER 115 Ca 0.95 0.38 -0.28 0.00 1.31 0.00 0.00 55.95 58.31 1i4v s SER 115 Cb -0.30 1.38 -0.09 0.00 0.21 0.00 0.00 66.02 67.22 1i4v s SER 115 CO 0.35 -0.07 2.40 -2.65 0.41 0.00 0.00 173.24 173.68 1i4v n PRO 116 N 5.16 1.05 -2.70 12.44 -0.01 -1.26 -4.48 135.00 145.19 1i4v n PRO 116 Ca -0.08 0.11 -0.41 0.00 -0.01 0.00 0.00 63.50 63.11 1i4v n PRO 116 Cb 0.54 -3.06 -0.04 0.00 -0.01 0.00 0.00 33.50 30.93 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 10.73 4.54 0.05 4.25 1.10 -1.12 -4.84 121.20 135.91 1i4v s ILE 117 Ca 1.05 2.02 -0.05 0.00 -0.51 0.00 0.00 60.65 63.15 1i4v s ILE 117 Cb -0.41 -4.29 -0.05 0.00 0.15 0.00 0.00 42.46 37.86 1i4v s ILE 117 CO 0.33 0.27 0.30 0.28 -2.11 0.00 0.00 174.94 174.00 1i4v s THR 118 N 0.28 5.26 0.41 4.00 -1.32 -1.26 0.08 115.64 123.10 1i4v s THR 118 Ca 0.49 0.08 0.08 0.00 -1.21 0.00 0.00 61.69 61.13 1i4v s THR 118 Cb -0.23 -3.60 -0.02 0.00 -1.51 0.00 0.00 72.50 67.14 1i4v s THR 118 CO 0.30 0.25 0.39 -0.63 -2.21 0.00 0.00 174.62 172.72 1i4v s ILE 119 N -1.42 2.74 1.12 5.08 1.01 -1.06 -4.93 121.20 123.74 1i4v s ILE 119 Ca 0.32 -1.31 -0.18 0.00 0.00 0.00 0.00 60.65 59.48 1i4v s ILE 119 Cb -0.13 -3.01 0.14 0.00 0.01 0.00 0.00 42.46 39.47 1i4v s ILE 119 CO 0.20 -0.01 0.12 -1.20 0.00 0.00 0.00 174.94 174.05 1i4v n SER 120 N -1.57 -2.57 -4.58 3.58 7.64 -1.26 -4.62 113.62 110.24 1i4v n SER 120 Ca 0.04 -0.22 -0.20 0.00 1.01 0.00 0.00 58.87 59.49 1i4v n SER 120 Cb 0.61 -0.92 -0.09 0.00 -1.01 0.00 0.00 64.21 62.80 1i4v n SER 120 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1i4v s SER 121 N -1.94 4.07 -0.99 6.43 0.15 -1.26 -3.92 113.70 116.25 1i4v s SER 121 Ca 0.53 -1.28 -0.11 0.00 0.70 0.00 0.00 55.95 55.79 1i4v s SER 121 Cb -0.11 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.59 1i4v s SER 121 CO 0.60 -4.10 0.76 1.21 1.20 0.00 0.00 173.24 172.91 1i4v n GLU 122 N 8.20 -1.44 0.00 5.44 4.07 -1.26 -4.98 120.64 130.68 1i4v n GLU 122 Ca 0.43 0.80 0.00 0.00 -0.06 0.00 0.00 57.16 58.33 1i4v n GLU 122 Cb 0.47 -4.48 0.00 0.00 -0.06 0.00 0.00 31.44 27.37 1i4v n GLU 122 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1i4v n ASP 123 N -2.54 0.00 -3.35 4.31 9.92 -1.25 -4.98 116.55 118.66 1i4v n ASP 123 Ca -0.10 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 53.98 1i4v n ASP 123 Cb 0.59 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.99 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 0.00 -0.28 -0.06 -3.53 2.01 -1.26 -5.11 115.64 107.41 1i4v s THR 124 Ca 0.00 -1.14 -0.02 0.00 0.31 0.00 0.00 61.69 60.84 1i4v s THR 124 Cb 0.00 -0.70 0.03 0.00 0.01 0.00 0.00 72.50 71.84 1i4v s THR 124 CO 0.00 -0.63 0.03 -0.22 -0.69 0.00 0.00 174.62 173.11 1i4v s LEU 125 N 1.29 0.39 0.07 4.42 1.98 -1.26 -4.68 118.68 120.88 1i4v s LEU 125 Ca 0.18 -0.02 -0.09 0.00 -2.89 0.00 0.00 54.13 51.31 1i4v s LEU 125 Cb -0.14 -0.30 0.00 0.00 0.66 0.00 0.00 46.19 46.41 1i4v s LEU 125 CO -0.03 -0.22 0.20 -0.62 -1.89 0.00 0.00 176.35 173.79 1i4v s ASP 126 N 2.06 0.07 0.54 3.68 2.15 -1.16 -5.00 116.67 119.01 1i4v s ASP 126 Ca 0.05 -0.52 -0.17 0.00 0.43 0.00 0.00 52.55 52.34 1i4v s ASP 126 Cb -0.12 0.32 -0.06 0.00 -0.30 0.00 0.00 42.92 42.76 1i4v s ASP 126 CO -0.04 -0.66 1.03 -0.69 -0.17 0.00 0.00 175.17 174.64 1i4v s VAL 127 N -3.32 3.96 -0.08 1.11 1.01 -1.26 -0.95 120.40 120.87 1i4v s VAL 127 Ca 0.01 1.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.94 1i4v s VAL 127 Cb 0.02 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 1i4v s VAL 127 CO -0.08 -0.46 -0.13 0.33 0.00 0.00 0.00 175.10 174.76 1i4v n PHE 128 N -1.59 0.33 -0.28 5.22 7.35 0.04 -4.76 117.46 123.76 1i4v n PHE 128 Ca 0.08 0.14 0.00 0.00 -0.76 0.00 0.00 57.45 56.92 1i4v n PHE 128 Cb 0.53 -0.44 0.00 0.00 0.35 0.00 0.00 39.48 39.92 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 1.61 1.73 0.59 7.13 0.00 -1.25 -3.74 105.19 111.25 1i4v n GLY 129 Ca -0.05 -1.73 -0.01 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.53 1.61 3.14 -0.73 -2.96 118.33 115.86 1i4v n VAL 130 Ca 0.00 -0.02 -0.13 0.00 -2.96 0.00 0.00 64.34 61.23 1i4v n VAL 130 Cb 0.00 0.14 -0.05 0.00 -1.06 0.00 0.00 33.84 32.87 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 -0.40 1.55 0.11 -1.26 -4.83 120.40 115.56 1i4v s VAL 131 Ca 0.01 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.14 1i4v s VAL 131 Cb 0.01 -1.00 0.27 0.00 -1.53 0.00 0.00 36.38 34.12 1i4v s VAL 131 CO -0.00 0.00 0.62 -0.38 -3.33 0.00 0.00 175.10 172.01 1i4v n ILE 132 N 0.58 -0.50 -1.94 7.04 2.08 -1.25 -3.43 119.36 121.94 1i4v n ILE 132 Ca -0.14 -3.66 -0.43 0.00 0.56 0.00 0.00 62.75 59.09 1i4v n ILE 132 Cb 0.59 -1.10 -0.03 0.00 -0.75 0.00 0.00 39.64 38.35 1i4v n ILE 132 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 1i4v s HIS 133 N -1.05 1.70 -0.28 1.39 3.76 -0.74 -4.77 115.29 115.31 1i4v s HIS 133 Ca 0.35 0.61 -0.29 0.00 -0.15 0.00 0.00 55.06 55.58 1i4v s HIS 133 Cb 0.21 -4.09 0.01 0.00 1.11 0.00 0.00 32.58 29.82 1i4v s HIS 133 CO -0.12 -3.13 1.09 0.08 -0.85 0.00 0.00 174.74 171.81 1i4v s VAL 134 N 7.13 4.53 -0.58 -0.90 1.01 -1.26 -1.86 120.40 128.47 1i4v s VAL 134 Ca 0.83 1.80 -0.13 0.00 0.00 0.00 0.00 61.98 64.48 1i4v s VAL 134 Cb -0.24 -4.34 0.15 0.00 0.00 0.00 0.00 36.38 31.95 1i4v s VAL 134 CO 0.34 -0.36 0.51 -0.69 0.00 0.00 0.00 175.10 174.90 1i4v s VAL 135 N 3.53 4.96 -0.56 2.92 1.01 0.16 -4.95 120.40 127.47 1i4v s VAL 135 Ca 0.46 -1.84 -0.25 0.00 0.00 0.00 0.00 61.98 60.35 1i4v s VAL 135 Cb -0.14 -4.18 0.04 0.00 0.00 0.00 0.00 36.38 32.10 1i4v s VAL 135 CO 0.13 -0.88 1.01 -0.54 0.00 0.00 0.00 175.10 174.82 1i4v s LYS 136 N 1.17 3.38 -0.38 2.72 1.02 -1.26 0.14 119.74 126.53 1i4v s LYS 136 Ca 0.07 -0.13 -0.27 0.00 0.02 0.00 0.00 55.97 55.66 1i4v s LYS 136 Cb -0.25 -4.05 -0.05 0.00 -0.52 0.00 0.00 37.83 32.96 1i4v s LYS 136 CO -0.01 -1.55 2.24 0.00 -0.92 0.00 0.00 175.35 175.11 1i4v s ALA 137 N 4.25 2.20 -0.36 5.17 0.00 -1.26 -4.92 121.76 126.84 1i4v s ALA 137 Ca 0.34 0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.56 1i4v s ALA 137 Cb -0.11 -4.21 0.09 0.00 0.00 0.00 0.00 23.12 18.89 1i4v s ALA 137 CO 0.21 -3.62 0.12 -1.64 0.00 0.00 0.00 175.76 170.82 1i4v s MET 138 N 7.21 2.03 0.00 0.00 -1.94 -1.26 -4.99 119.30 120.34 1i4v s MET 138 Ca 0.95 -1.67 0.00 0.00 -1.71 0.00 0.00 55.69 53.25 1i4v s MET 138 Cb -0.23 -3.40 0.00 0.00 2.01 0.00 0.00 34.83 33.21 1i4v s MET 138 CO 0.30 -0.92 0.00 2.89 -0.01 0.00 0.00 175.02 177.28