#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 0.26 0.00 0.00 -1.74 -1.26 -5.11 117.46 109.62 1i4v n PHE 26 Ca 0.00 -3.80 0.00 0.00 -0.56 0.00 0.00 57.45 53.09 1i4v n PHE 26 Cb 0.00 -0.41 0.00 0.00 1.52 0.00 0.00 39.48 40.59 1i4v n PHE 26 CO 0.00 0.00 0.00 -2.30 -0.56 0.00 0.00 176.76 173.90 1i4v n PRO 27 N 0.41 1.22 -3.08 3.97 -0.02 -1.26 -5.01 135.00 131.24 1i4v n PRO 27 Ca 0.25 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.56 1i4v n PRO 27 Cb 0.63 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.11 1i4v n PRO 27 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1i4v n SER 28 N 0.00 -0.06 -4.58 2.55 7.64 -1.26 -5.04 113.62 112.87 1i4v n SER 28 Ca 0.00 -3.12 -0.16 0.00 1.01 0.00 0.00 58.87 56.60 1i4v n SER 28 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.10 1i4v n SER 28 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1i4v s PRO 29 N -1.59 1.31 -0.34 1.43 0.02 -1.26 -4.84 135.00 129.73 1i4v s PRO 29 Ca 0.35 -0.43 0.02 0.00 0.02 0.00 0.00 61.00 60.96 1i4v s PRO 29 Cb 0.31 -4.99 0.09 0.00 0.02 0.00 0.00 34.50 29.93 1i4v s PRO 29 CO -0.09 -5.32 0.06 0.00 -0.33 0.00 0.00 177.00 171.33 1i4v s ALA 30 N 16.40 2.91 -0.11 -1.55 0.00 -1.26 -4.92 121.76 133.24 1i4v s ALA 30 Ca 0.81 -2.39 -0.02 0.00 0.00 0.00 0.00 51.96 50.37 1i4v s ALA 30 Cb -0.05 -2.03 -0.06 0.00 0.00 0.00 0.00 23.12 20.98 1i4v s ALA 30 CO 0.17 -1.63 -0.12 0.00 0.00 0.00 0.00 175.76 174.19 1i4v n ALA 31 N 4.38 1.97 -1.01 0.00 0.00 -1.26 -4.63 120.51 119.97 1i4v n ALA 31 Ca -0.01 -0.45 -0.24 0.00 0.00 0.00 0.00 53.44 52.73 1i4v n ALA 31 Cb 0.42 0.29 0.11 0.00 0.00 0.00 0.00 19.45 20.27 1i4v n ALA 31 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1i4v n ASP 32 N -3.09 5.45 -3.47 0.00 8.00 -1.26 -4.81 116.55 117.36 1i4v n ASP 32 Ca -0.20 -3.44 -0.36 0.00 0.71 0.00 0.00 54.79 51.50 1i4v n ASP 32 Cb 0.68 -0.89 -0.04 0.00 -0.02 0.00 0.00 41.12 40.85 1i4v n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i4v n TYR 33 N -0.68 1.81 -4.93 1.24 4.19 -1.26 -4.84 117.16 112.69 1i4v n TYR 33 Ca 0.51 -1.96 -0.27 0.00 3.31 0.00 0.00 57.90 59.49 1i4v n TYR 33 Cb 1.05 -1.76 -0.16 0.00 0.49 0.00 0.00 39.34 38.96 1i4v n TYR 33 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 1i4v s VAL 34 N 4.29 1.57 0.40 2.97 0.11 -1.26 -5.14 120.40 123.34 1i4v s VAL 34 Ca 0.51 -0.80 0.07 0.00 -2.93 0.00 0.00 61.98 58.83 1i4v s VAL 34 Cb 0.13 -1.34 -0.08 0.00 -1.53 0.00 0.00 36.38 33.56 1i4v s VAL 34 CO 0.05 0.45 0.01 -0.70 -3.33 0.00 0.00 175.10 171.57 1i4v s GLU 35 N -0.01 1.92 0.10 1.54 2.12 -1.26 -5.03 118.70 118.09 1i4v s GLU 35 Ca -0.04 -2.08 0.00 0.00 0.36 0.00 0.00 54.97 53.21 1i4v s GLU 35 Cb -0.12 -1.58 0.00 0.00 0.26 0.00 0.00 34.13 32.69 1i4v s GLU 35 CO 0.03 -0.05 0.00 0.94 -0.54 0.00 0.00 175.26 175.64 1i4v n GLN 36 N -0.93 0.00 -3.34 4.30 7.27 -1.26 -5.12 117.38 118.30 1i4v n GLN 36 Ca -0.05 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.04 1i4v n GLN 36 Cb 0.67 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.29 1i4v n GLN 36 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1i4v s ARG 37 N -2.00 0.56 0.59 3.69 3.00 -1.26 -5.14 118.95 118.39 1i4v s ARG 37 Ca 0.00 1.15 -0.20 0.00 0.00 0.00 0.00 55.73 56.69 1i4v s ARG 37 Cb 0.00 0.64 -0.03 0.00 0.00 0.00 0.00 34.95 35.55 1i4v s ARG 37 CO 0.00 -0.47 1.30 1.51 0.00 0.00 0.00 175.30 177.64 1i4v n ILE 38 N 5.43 4.28 0.25 1.52 0.13 -1.26 -4.88 119.36 124.82 1i4v n ILE 38 Ca -0.05 -0.50 0.04 0.00 -1.10 0.00 0.00 62.75 61.14 1i4v n ILE 38 Cb 0.50 -1.55 0.20 0.00 -0.84 0.00 0.00 39.64 37.96 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 -1.33 3.04 0.04 9.51 2.03 -1.26 -4.09 116.55 124.49 1i4v n ASP 39 Ca 0.13 -2.33 -0.14 0.00 0.52 0.00 0.00 54.79 52.97 1i4v n ASP 39 Cb 0.46 -0.49 -0.03 0.00 -0.72 0.00 0.00 41.12 40.34 1i4v n ASP 39 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 1i4v h LEU 40 N 2.16 0.65 -0.02 -2.67 8.10 -2.00 -2.53 115.31 119.00 1i4v h LEU 40 Ca 0.00 -0.46 0.00 0.00 0.11 0.00 0.00 57.88 57.53 1i4v h LEU 40 Cb 1.04 -0.19 0.00 0.00 -0.44 0.00 0.00 40.66 41.06 1i4v h LEU 40 CO 0.18 1.24 -0.00 -0.46 -4.11 0.00 0.00 178.44 175.28 1i4v n ASN 41 N -3.83 0.03 -0.07 0.17 6.94 -1.26 -2.68 115.26 114.55 1i4v n ASN 41 Ca -0.06 -0.57 -0.06 0.00 -0.02 0.00 0.00 54.58 53.86 1i4v n ASN 41 Cb 0.77 -0.14 -0.03 0.00 -2.36 0.00 0.00 39.78 38.03 1i4v n ASN 41 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 1i4v h GLN 42 N 0.04 0.00 0.00 -3.83 -0.00 -1.63 -2.70 115.11 107.00 1i4v h GLN 42 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1i4v h GLN 42 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.64 1i4v h GLN 42 CO 0.00 0.10 0.00 1.47 0.00 0.00 0.00 178.83 180.40 1i4v n LEU 43 N -4.60 0.57 -0.01 -2.39 -0.00 -1.03 -3.59 117.00 105.96 1i4v n LEU 43 Ca -0.09 0.59 0.03 0.00 -0.00 0.00 0.00 56.01 56.54 1i4v n LEU 43 Cb 0.30 -0.46 -0.06 0.00 -0.00 0.00 0.00 43.42 43.20 1i4v n LEU 43 CO 0.11 -0.31 -0.62 0.18 -0.00 0.00 0.00 177.39 176.75 1i4v n LEU 44 N -2.08 0.00 -4.41 1.47 4.32 -1.09 -5.04 117.00 110.17 1i4v n LEU 44 Ca 0.04 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.83 1i4v n LEU 44 Cb 0.32 0.03 -0.10 0.00 -1.62 0.00 0.00 43.42 42.04 1i4v n LEU 44 CO 0.24 0.03 -0.27 -0.63 -1.22 0.00 0.00 177.39 175.54 1i4v s ILE 45 N -2.51 1.03 0.00 -0.08 -1.09 -1.02 -5.03 121.20 112.49 1i4v s ILE 45 Ca -0.03 -2.00 0.00 0.00 -2.23 0.00 0.00 60.65 56.38 1i4v s ILE 45 Cb 0.05 -2.73 0.00 0.00 -1.58 0.00 0.00 42.46 38.20 1i4v s ILE 45 CO 0.34 -0.02 0.26 0.00 -1.23 0.00 0.00 174.94 174.29 1i4v n GLN 46 N -0.61 0.04 -3.78 2.79 6.02 -1.26 -4.19 117.38 116.39 1i4v n GLN 46 Ca -0.02 -0.27 -0.12 0.00 -0.01 0.00 0.00 57.00 56.58 1i4v n GLN 46 Cb 0.66 -0.52 -0.08 0.00 1.02 0.00 0.00 30.24 31.32 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 -0.02 -0.11 0.05 1.08 3.76 -1.26 -5.02 115.29 113.77 1i4v s HIS 47 Ca 0.00 0.07 -0.24 0.00 -0.15 0.00 0.00 55.06 54.75 1i4v s HIS 47 Cb 0.00 0.07 -0.16 0.00 1.11 0.00 0.00 32.58 33.60 1i4v s HIS 47 CO 0.00 -0.42 1.56 -1.00 -0.85 0.00 0.00 174.74 174.02 1i4v h PRO 48 N 3.64 0.04 0.00 8.40 0.14 -1.99 -3.37 132.00 138.86 1i4v h PRO 48 Ca -0.31 -0.01 -0.16 0.00 0.14 0.00 0.00 66.00 65.66 1i4v h PRO 48 Cb 1.19 -0.01 -0.35 0.00 0.14 0.00 0.00 31.00 31.97 1i4v h PRO 48 CO 0.43 0.23 -0.98 0.43 0.14 0.00 0.00 178.00 178.25 1i4v n SER 49 N -4.97 0.97 -0.84 1.44 7.64 -1.26 -4.84 113.62 111.76 1i4v n SER 49 Ca -0.07 -2.08 0.02 0.00 1.01 0.00 0.00 58.87 57.75 1i4v n SER 49 Cb 0.12 -0.30 0.21 0.00 -1.01 0.00 0.00 64.21 63.23 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 0.40 3.96 -3.48 -0.43 0.00 -1.26 -4.99 120.51 114.71 1i4v n ALA 50 Ca 0.06 -3.25 -0.24 0.00 0.00 0.00 0.00 53.44 50.01 1i4v n ALA 50 Cb 1.10 -0.51 -0.17 0.00 0.00 0.00 0.00 19.45 19.87 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 -3.25 1.04 0.11 0.00 2.01 -1.26 -2.12 115.64 112.16 1i4v s THR 51 Ca 0.41 -0.42 0.05 0.00 0.31 0.00 0.00 61.69 62.03 1i4v s THR 51 Cb 0.39 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1i4v s THR 51 CO -0.04 0.33 0.03 -0.31 -0.69 0.00 0.00 174.62 173.94 1i4v s TYR 52 N 0.69 3.03 0.05 4.92 1.51 0.14 -4.77 117.35 122.91 1i4v s TYR 52 Ca -0.14 -0.02 -0.04 0.00 -1.01 0.00 0.00 57.07 55.86 1i4v s TYR 52 Cb -0.16 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.14 1i4v s TYR 52 CO 0.03 0.50 0.05 -0.59 -1.11 0.00 0.00 175.55 174.43 1i4v s PHE 53 N -1.43 0.34 -0.21 2.71 -0.12 -1.26 0.81 117.98 118.81 1i4v s PHE 53 Ca 0.27 -0.78 -0.16 0.00 -0.05 0.00 0.00 56.93 56.21 1i4v s PHE 53 Cb -0.11 -0.24 0.06 0.00 -0.63 0.00 0.00 43.02 42.10 1i4v s PHE 53 CO 0.20 -0.40 0.55 0.54 -0.05 0.00 0.00 175.22 176.06 1i4v s VAL 54 N -3.39 -0.01 0.19 -2.49 0.11 -0.99 -4.95 120.40 108.87 1i4v s VAL 54 Ca 0.02 0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 58.80 1i4v s VAL 54 Cb 0.04 -0.78 -0.08 0.00 -1.53 0.00 0.00 36.38 34.02 1i4v s VAL 54 CO -0.08 0.01 1.19 -0.75 -3.33 0.00 0.00 175.10 172.13 1i4v s LYS 55 N 0.95 4.51 -0.49 1.54 2.36 -1.26 -2.13 119.74 125.22 1i4v s LYS 55 Ca -0.05 1.87 -0.20 0.00 -2.55 0.00 0.00 55.97 55.03 1i4v s LYS 55 Cb -0.05 -3.24 0.04 0.00 -1.05 0.00 0.00 37.83 33.53 1i4v s LYS 55 CO -0.08 -0.05 0.65 0.00 1.55 0.00 0.00 175.35 177.41 1i4v s ALA 56 N -0.18 3.35 -0.41 3.13 0.00 -0.81 -4.92 121.76 121.94 1i4v s ALA 56 Ca 0.52 -1.53 0.11 0.00 0.00 0.00 0.00 51.96 51.05 1i4v s ALA 56 Cb -0.32 -3.36 0.40 0.00 0.00 0.00 0.00 23.12 19.84 1i4v s ALA 56 CO 0.37 -1.96 0.94 0.45 0.00 0.00 0.00 175.76 175.56 1i4v n SER 57 N 6.29 2.68 -3.28 0.00 2.88 -1.26 -2.36 113.62 118.57 1i4v n SER 57 Ca -0.04 -3.21 0.03 0.00 -1.33 0.00 0.00 58.87 54.32 1i4v n SER 57 Cb 0.46 -0.54 0.01 0.00 -0.75 0.00 0.00 64.21 63.39 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 -0.12 0.18 1.93 0.46 0.00 -1.26 -4.82 105.19 101.55 1i4v n GLY 58 Ca 0.24 -0.97 -0.05 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.78 2.38 -0.03 1.61 5.75 -1.26 -2.59 116.55 121.63 1i4v n ASP 59 Ca 0.05 -2.82 0.05 0.00 -0.01 0.00 0.00 54.79 52.06 1i4v n ASP 59 Cb 0.44 -0.41 -0.15 0.00 -1.03 0.00 0.00 41.12 39.97 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 -0.48 0.62 -2.31 -1.12 2.88 -1.26 -4.53 113.62 107.41 1i4v n SER 60 Ca 0.19 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.56 1i4v n SER 60 Cb 0.90 1.64 0.03 0.00 -0.75 0.00 0.00 64.21 66.03 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 -2.29 2.97 0.24 -1.46 2.81 -1.26 -2.65 117.12 115.48 1i4v n MET 61 Ca -0.10 -3.97 0.11 0.00 -1.81 0.00 0.00 57.70 51.93 1i4v n MET 61 Cb 0.65 -2.05 0.60 0.00 -0.71 0.00 0.00 33.22 31.70 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 3.25 0.64 -0.36 2.02 2.04 -1.80 -2.01 117.51 121.29 1i4v h ILE 62 Ca 0.20 -0.83 0.10 0.00 1.00 0.00 0.00 64.86 65.34 1i4v h ILE 62 Cb 1.41 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 1i4v h ILE 62 CO 0.59 0.18 0.48 -2.24 0.00 0.00 0.00 178.15 177.15 1i4v h ASP 63 N 0.00 0.00 0.00 1.72 3.04 -1.86 -1.88 116.42 117.43 1i4v h ASP 63 Ca -0.00 0.00 -0.25 0.00 -3.24 0.00 0.00 57.03 53.54 1i4v h ASP 63 Cb 0.52 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.77 1i4v h ASP 63 CO 0.02 0.00 -1.45 0.61 -2.04 0.00 0.00 179.24 176.39 1i4v n GLY 64 N -1.45 -0.76 0.00 7.15 0.00 -0.76 -4.83 105.19 104.54 1i4v n GLY 64 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 1.42 0.00 2.85 -0.02 0.00 -0.71 -4.96 105.19 103.77 1i4v n GLY 65 Ca -0.33 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 1.22 -0.49 -0.61 -5.25 -1.23 -4.65 121.20 110.20 1i4v s ILE 66 Ca 0.00 -1.21 0.08 0.00 -0.99 0.00 0.00 60.65 58.53 1i4v s ILE 66 Cb 0.00 -1.67 0.28 0.00 2.95 0.00 0.00 42.46 44.02 1i4v s ILE 66 CO 0.00 -0.30 0.69 -1.20 -1.79 0.00 0.00 174.94 172.34 1i4v n SER 67 N 4.76 1.99 -2.31 4.36 7.64 -1.26 -3.73 113.62 125.08 1i4v n SER 67 Ca -0.08 -3.12 0.00 0.00 1.01 0.00 0.00 58.87 56.69 1i4v n SER 67 Cb 0.44 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1i4v n SER 67 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1i4v n ASP 68 N 0.81 -5.27 0.00 6.43 5.75 -1.07 -4.67 116.55 118.54 1i4v n ASP 68 Ca 0.26 0.55 0.00 0.00 -0.01 0.00 0.00 54.79 55.59 1i4v n ASP 68 Cb 0.50 -1.12 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 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 1.74 0.71 3.62 6.12 0.00 -1.00 -4.95 105.19 111.44 1i4v n GLY 69 Ca 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.63 -0.16 -0.20 1.61 -4.77 -1.26 -4.29 116.67 106.98 1i4v s ASP 70 Ca 0.00 0.17 -0.06 0.00 -3.30 0.00 0.00 52.55 49.37 1i4v s ASP 70 Cb 0.00 0.13 -0.03 0.00 -1.09 0.00 0.00 42.92 41.93 1i4v s ASP 70 CO 0.00 -0.14 0.02 -0.22 0.70 0.00 0.00 175.17 175.52 1i4v s LEU 71 N -1.04 3.38 0.08 2.11 1.98 0.22 -1.92 118.68 123.50 1i4v s LEU 71 Ca 0.05 -0.14 -0.13 0.00 -2.89 0.00 0.00 54.13 51.02 1i4v s LEU 71 Cb -0.01 -1.86 -0.06 0.00 0.66 0.00 0.00 46.19 44.92 1i4v s LEU 71 CO -0.05 0.09 0.45 -0.22 -1.89 0.00 0.00 176.35 174.73 1i4v s LEU 72 N 0.88 4.39 -0.32 -0.68 0.20 -0.91 0.31 118.68 122.55 1i4v s LEU 72 Ca 0.02 0.94 -0.01 0.00 0.69 0.00 0.00 54.13 55.76 1i4v s LEU 72 Cb -0.14 -2.96 0.10 0.00 -0.43 0.00 0.00 46.19 42.77 1i4v s LEU 72 CO 0.02 0.20 0.12 -0.63 -0.29 0.00 0.00 176.35 175.76 1i4v s ILE 73 N -1.32 0.79 0.24 6.68 -1.09 -0.68 -2.35 121.20 123.46 1i4v s ILE 73 Ca 0.32 -1.43 0.04 0.00 -2.23 0.00 0.00 60.65 57.34 1i4v s ILE 73 Cb -0.15 -1.60 -0.03 0.00 -1.58 0.00 0.00 42.46 39.10 1i4v s ILE 73 CO 0.17 -0.71 0.38 0.54 -1.23 0.00 0.00 174.94 174.09 1i4v s VAL 74 N 1.55 5.24 -0.39 2.92 0.11 0.24 -0.67 120.40 129.40 1i4v s VAL 74 Ca 0.11 -0.84 0.02 0.00 -2.93 0.00 0.00 61.98 58.34 1i4v s VAL 74 Cb -0.18 -3.84 0.11 0.00 -1.53 0.00 0.00 36.38 30.94 1i4v s VAL 74 CO -0.24 -0.32 0.14 -1.81 -3.33 0.00 0.00 175.10 169.54 1i4v s ASP 75 N -3.84 4.87 -0.66 3.54 1.11 -1.14 0.25 116.67 120.80 1i4v s ASP 75 Ca 0.35 -2.26 -0.24 0.00 0.18 0.00 0.00 52.55 50.57 1i4v s ASP 75 Cb -0.09 -1.70 0.05 0.00 1.07 0.00 0.00 42.92 42.25 1i4v s ASP 75 CO 0.30 -0.41 1.06 -0.94 1.18 0.00 0.00 175.17 176.37 1i4v s SER 76 N 0.99 6.21 0.00 0.27 1.04 -0.90 -1.38 113.70 119.94 1i4v s SER 76 Ca 0.11 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1i4v s SER 76 Cb -0.21 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1i4v s SER 76 CO -0.06 -1.52 0.00 0.00 0.98 0.00 0.00 173.24 172.64 1i4v n ALA 77 N 8.19 0.00 -2.20 5.32 0.00 -1.19 -4.19 120.51 126.43 1i4v n ALA 77 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.24 1i4v n ALA 77 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.57 2.97 -0.36 0.00 1.09 -1.26 -4.98 121.20 117.09 1i4v s ILE 78 Ca 0.00 -1.21 -0.09 0.00 -1.10 0.00 0.00 60.65 58.24 1i4v s ILE 78 Cb 0.00 -3.05 0.03 0.00 -1.06 0.00 0.00 42.46 38.38 1i4v s ILE 78 CO 0.00 -0.03 0.18 -0.89 -0.10 0.00 0.00 174.94 174.09 1i4v s THR 79 N -2.39 4.31 0.00 2.92 2.01 -1.26 -3.81 115.64 117.42 1i4v s THR 79 Ca 0.49 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1i4v s THR 79 Cb -0.06 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 69.02 1i4v s THR 79 CO 0.30 -0.23 0.00 0.00 -0.69 0.00 0.00 174.62 174.00 1i4v n ALA 80 N 4.94 0.00 -2.57 7.40 0.00 -1.10 -4.99 120.51 124.19 1i4v n ALA 80 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.22 1i4v n ALA 80 Cb 0.45 0.00 -0.08 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 -1.84 0.10 0.45 0.00 0.01 -1.26 -4.93 113.70 106.22 1i4v s SER 81 Ca 0.00 -1.03 -0.23 0.00 1.31 0.00 0.00 55.95 55.99 1i4v s SER 81 Cb 0.00 0.42 -0.10 0.00 0.21 0.00 0.00 66.02 66.55 1i4v s SER 81 CO 0.00 -0.88 0.96 1.41 0.41 0.00 0.00 173.24 175.14 1i4v n HIS 82 N -0.22 0.96 -2.60 2.43 8.25 -1.26 -2.58 115.22 120.19 1i4v n HIS 82 Ca -0.05 0.54 -0.07 0.00 -0.26 0.00 0.00 57.72 57.89 1i4v n HIS 82 Cb 0.63 -2.19 0.02 0.00 1.12 0.00 0.00 29.99 29.57 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 1.26 0.40 2.80 -1.41 0.00 -1.15 -5.00 105.19 102.09 1i4v n GLY 83 Ca 0.10 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.98 1.61 -0.70 1.61 1.01 -1.07 -4.99 116.67 111.17 1i4v s ASP 84 Ca 0.12 -0.12 -0.25 0.00 0.71 0.00 0.00 52.55 53.01 1i4v s ASP 84 Cb -0.05 -0.50 -0.14 0.00 1.01 0.00 0.00 42.92 43.25 1i4v s ASP 84 CO 0.15 -0.17 2.45 0.00 0.21 0.00 0.00 175.17 177.80 1i4v n ILE 85 N 5.01 -0.04 -4.04 0.77 3.06 -1.26 -4.19 119.36 118.67 1i4v n ILE 85 Ca -0.10 -0.57 -0.10 0.00 -2.50 0.00 0.00 62.75 59.49 1i4v n ILE 85 Cb 0.50 -1.98 -0.06 0.00 0.54 0.00 0.00 39.64 38.64 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 11.32 0.00 -0.22 9.51 -7.23 -1.25 -4.40 120.40 128.12 1i4v s VAL 86 Ca 1.06 -1.53 -0.20 0.00 -1.81 0.00 0.00 61.98 59.50 1i4v s VAL 86 Cb -0.41 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 1i4v s VAL 86 CO 0.28 0.00 0.62 -0.51 -0.31 0.00 0.00 175.10 175.18 1i4v s ILE 87 N -3.98 5.01 0.50 -0.62 1.10 -1.26 -2.97 121.20 118.98 1i4v s ILE 87 Ca 0.26 1.14 -0.03 0.00 -0.51 0.00 0.00 60.65 61.51 1i4v s ILE 87 Cb 0.01 -3.93 -0.01 0.00 0.15 0.00 0.00 42.46 38.68 1i4v s ILE 87 CO 0.10 0.08 0.77 0.00 -2.11 0.00 0.00 174.94 173.78 1i4v s ALA 88 N 2.17 3.51 -0.18 1.50 0.00 -1.08 -0.89 121.76 126.79 1i4v s ALA 88 Ca 0.27 -0.79 -0.16 0.00 0.00 0.00 0.00 51.96 51.28 1i4v s ALA 88 Cb -0.16 -2.40 0.05 0.00 0.00 0.00 0.00 23.12 20.61 1i4v s ALA 88 CO 0.09 -0.50 0.47 0.00 0.00 0.00 0.00 175.76 175.83 1i4v s ALA 89 N -2.74 -1.18 -0.20 0.00 0.00 0.18 -2.39 121.76 115.44 1i4v s ALA 89 Ca 0.49 1.38 -0.08 0.00 0.00 0.00 0.00 51.96 53.75 1i4v s ALA 89 Cb -0.10 -0.81 0.08 0.00 0.00 0.00 0.00 23.12 22.29 1i4v s ALA 89 CO 0.42 -0.23 0.44 0.54 0.00 0.00 0.00 175.76 176.93 1i4v s VAL 90 N 0.41 -0.41 -1.63 0.00 0.11 -1.24 -2.82 120.40 114.82 1i4v s VAL 90 Ca -0.01 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1i4v s VAL 90 Cb -0.04 -0.68 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 1i4v s VAL 90 CO -0.01 0.05 0.00 0.47 -3.33 0.00 0.00 175.10 172.28 1i4v n ASP 91 N 4.93 -4.12 -0.01 3.54 8.00 -1.26 -1.38 116.55 126.25 1i4v n ASP 91 Ca -0.15 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.72 1i4v n ASP 91 Cb 0.52 -3.75 0.00 0.00 -0.02 0.00 0.00 41.12 37.87 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 -0.33 1.63 3.80 0.44 0.00 -1.26 -5.11 105.19 104.36 1i4v n GLY 92 Ca -0.16 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.89 2.60 -0.09 1.61 0.41 -0.48 -5.13 118.70 116.74 1i4v s GLU 93 Ca 0.00 -1.37 -0.04 0.00 -0.41 0.00 0.00 54.97 53.16 1i4v s GLU 93 Cb 0.00 -2.36 0.05 0.00 -1.78 0.00 0.00 34.13 30.03 1i4v s GLU 93 CO 0.00 0.14 0.18 -0.06 -0.49 0.00 0.00 175.26 175.03 1i4v s PHE 94 N -2.33 -0.22 0.25 1.61 0.08 -1.26 -3.61 117.98 112.50 1i4v s PHE 94 Ca 0.39 0.63 0.01 0.00 0.12 0.00 0.00 56.93 58.08 1i4v s PHE 94 Cb -0.05 -0.13 -0.05 0.00 -0.57 0.00 0.00 43.02 42.22 1i4v s PHE 94 CO 0.25 -0.24 0.08 0.95 -0.10 0.00 0.00 175.22 176.16 1i4v s THR 95 N 1.79 0.61 -0.43 0.64 -4.23 -1.00 -4.94 115.64 108.07 1i4v s THR 95 Ca -0.03 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.50 1i4v s THR 95 Cb -0.12 -2.59 0.13 0.00 1.34 0.00 0.00 72.50 71.27 1i4v s THR 95 CO -0.06 -0.06 0.22 -0.69 -0.54 0.00 0.00 174.62 173.49 1i4v s VAL 96 N -3.72 1.42 -0.11 2.29 1.01 -1.26 -2.63 120.40 117.41 1i4v s VAL 96 Ca 0.36 -2.48 -0.33 0.00 0.00 0.00 0.00 61.98 59.54 1i4v s VAL 96 Cb 0.08 -2.00 0.14 0.00 0.00 0.00 0.00 36.38 34.59 1i4v s VAL 96 CO 0.13 -0.87 1.33 -0.75 0.00 0.00 0.00 175.10 174.94 1i4v s LYS 97 N 0.45 0.23 -1.01 2.72 2.47 -1.16 -4.30 119.74 119.14 1i4v s LYS 97 Ca 0.17 -0.12 -0.23 0.00 -1.56 0.00 0.00 55.97 54.23 1i4v s LYS 97 Cb -0.24 0.09 0.02 0.00 -1.46 0.00 0.00 37.83 36.23 1i4v s LYS 97 CO -0.02 -0.11 1.64 0.15 0.16 0.00 0.00 175.35 177.18 1i4v s LYS 98 N -2.27 3.26 0.19 4.03 1.02 -1.26 -3.79 119.74 120.93 1i4v s LYS 98 Ca 0.13 -0.94 -0.31 0.00 0.02 0.00 0.00 55.97 54.88 1i4v s LYS 98 Cb 0.04 -5.28 -0.10 0.00 -0.52 0.00 0.00 37.83 31.97 1i4v s LYS 98 CO -0.05 -2.64 1.53 -0.48 -0.92 0.00 0.00 175.35 172.80 1i4v s LEU 99 N 6.70 4.37 -0.18 3.17 2.34 -1.26 -4.27 118.68 129.55 1i4v s LEU 99 Ca 0.55 2.64 0.01 0.00 0.06 0.00 0.00 54.13 57.39 1i4v s LEU 99 Cb -0.02 -3.60 0.03 0.00 -0.56 0.00 0.00 46.19 42.03 1i4v s LEU 99 CO -0.05 -0.79 -0.18 -1.10 -1.06 0.00 0.00 176.35 173.17 1i4v s GLN 100 N 0.64 2.75 0.00 1.48 -1.52 -1.11 -2.93 119.66 118.97 1i4v s GLN 100 Ca 0.67 -0.83 0.00 0.00 -1.95 0.00 0.00 55.36 53.25 1i4v s GLN 100 Cb -0.43 -2.51 0.00 0.00 -0.22 0.00 0.00 33.01 29.85 1i4v s GLN 100 CO 0.35 -0.26 0.00 1.28 -0.25 0.00 0.00 175.29 176.42 1i4v n LEU 101 N 4.63 0.00 0.24 2.90 4.77 -1.24 -2.02 117.00 126.28 1i4v n LEU 101 Ca -0.19 -0.30 -0.12 0.00 -0.03 0.00 0.00 56.01 55.37 1i4v n LEU 101 Cb 0.49 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 1i4v n LEU 101 CO 0.24 0.00 0.37 -0.09 -1.33 0.00 0.00 177.39 176.59 1i4v h ARG 102 N 0.00 -0.63 0.66 3.23 9.65 -2.00 -3.35 114.38 121.94 1i4v h ARG 102 Ca 0.00 0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.89 1i4v h ARG 102 Cb 0.00 0.14 0.01 0.00 -1.39 0.00 0.00 29.97 28.73 1i4v h ARG 102 CO 0.00 -0.35 -0.32 -1.00 2.80 0.00 0.00 179.97 181.10 1i4v h PRO 103 N -1.08 -0.86 -3.13 0.20 0.14 -2.02 -3.47 132.00 121.79 1i4v h PRO 103 Ca -0.07 0.06 -0.08 0.00 0.14 0.00 0.00 66.00 66.05 1i4v h PRO 103 Cb 0.58 0.19 -0.16 0.00 0.14 0.00 0.00 31.00 31.75 1i4v h PRO 103 CO 0.11 -0.54 -0.14 0.99 0.14 0.00 0.00 178.00 178.56 1i4v s THR 104 N -4.94 0.06 -0.68 1.56 2.01 -1.26 -5.10 115.64 107.31 1i4v s THR 104 Ca -0.15 -0.53 -0.27 0.00 0.31 0.00 0.00 61.69 61.05 1i4v s THR 104 Cb 0.02 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.58 1i4v s THR 104 CO 0.48 -0.29 1.50 0.68 -0.69 0.00 0.00 174.62 176.30 1i4v s VAL 105 N -2.59 3.60 -0.02 3.82 -7.23 -1.26 -3.67 120.40 113.06 1i4v s VAL 105 Ca -0.05 0.36 -0.08 0.00 -1.81 0.00 0.00 61.98 60.41 1i4v s VAL 105 Cb -0.01 -4.53 0.01 0.00 0.56 0.00 0.00 36.38 32.41 1i4v s VAL 105 CO -0.03 -1.46 0.17 -1.10 -0.31 0.00 0.00 175.10 172.37 1i4v s GLN 106 N 6.17 0.44 0.04 4.82 -0.21 -0.86 -2.51 119.66 127.57 1i4v s GLN 106 Ca 0.48 -0.23 -0.07 0.00 0.02 0.00 0.00 55.36 55.56 1i4v s GLN 106 Cb -0.10 0.19 -0.00 0.00 1.00 0.00 0.00 33.01 34.10 1i4v s GLN 106 CO 0.18 -0.10 0.14 -1.17 -2.12 0.00 0.00 175.29 172.22 1i4v s LEU 107 N -1.04 1.60 -0.50 2.90 2.96 -1.09 -2.75 118.68 120.75 1i4v s LEU 107 Ca -0.11 -0.48 0.07 0.00 -0.22 0.00 0.00 54.13 53.38 1i4v s LEU 107 Cb -0.06 0.78 0.19 0.00 0.50 0.00 0.00 46.19 47.61 1i4v s LEU 107 CO 0.02 -0.55 0.70 0.00 -1.32 0.00 0.00 176.35 175.20 1i4v n ILE 108 N 0.66 -0.14 0.00 6.68 0.13 -1.26 -2.57 119.36 122.85 1i4v n ILE 108 Ca -0.18 -1.36 0.00 0.00 -1.10 0.00 0.00 62.75 60.10 1i4v n ILE 108 Cb 0.59 0.72 0.00 0.00 -0.84 0.00 0.00 39.64 40.11 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 2.77 1.98 -1.16 9.51 -0.05 -1.26 -4.81 135.00 141.99 1i4v n PRO 109 Ca 0.18 0.00 0.04 0.00 -0.05 0.00 0.00 63.50 63.67 1i4v n PRO 109 Cb 0.56 0.00 -0.02 0.00 -0.05 0.00 0.00 33.50 33.99 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 -2.94 0.00 0.54 2.81 -1.26 -4.46 117.12 111.81 1i4v n MET 110 Ca 0.00 2.32 0.00 0.00 -1.81 0.00 0.00 57.70 58.21 1i4v n MET 110 Cb 0.00 -2.99 0.00 0.00 -0.71 0.00 0.00 33.22 29.52 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 -2.73 0.00 0.09 7.83 2.85 -1.08 -4.35 115.26 117.88 1i4v n ASN 111 Ca -0.02 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.41 1i4v n ASN 111 Cb 0.41 0.00 0.15 0.00 1.24 0.00 0.00 39.78 41.57 1i4v n ASN 111 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1i4v h SER 112 N 0.00 0.23 -0.64 1.20 4.64 -1.88 -3.22 113.55 113.87 1i4v h SER 112 Ca 0.00 -0.13 -0.52 0.00 -0.47 0.00 0.00 61.79 60.68 1i4v h SER 112 Cb 0.00 -0.07 -0.10 0.00 -0.31 0.00 0.00 62.40 61.92 1i4v h SER 112 CO 0.00 0.75 1.33 0.00 -0.87 0.00 0.00 176.83 178.05 1i4v n ALA 113 N -2.46 6.73 -1.77 5.18 0.00 -1.26 -4.94 120.51 121.98 1i4v n ALA 113 Ca -0.02 -3.10 -0.43 0.00 0.00 0.00 0.00 53.44 49.89 1i4v n ALA 113 Cb 0.59 -2.57 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 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 -0.23 1.47 -0.55 0.00 1.13 -1.22 -4.77 117.35 113.18 1i4v s TYR 114 Ca 0.62 0.12 0.04 0.00 -1.41 0.00 0.00 57.07 56.44 1i4v s TYR 114 Cb 0.28 -4.07 0.16 0.00 -1.10 0.00 0.00 41.96 37.23 1i4v s TYR 114 CO -0.11 -4.41 0.38 -1.12 -2.51 0.00 0.00 175.55 167.78 1i4v s SER 115 N 5.56 3.67 0.04 -0.18 0.01 -1.26 -5.08 113.70 116.45 1i4v s SER 115 Ca 0.88 -3.30 -0.32 0.00 1.31 0.00 0.00 55.95 54.52 1i4v s SER 115 Cb -0.35 -1.20 -0.10 0.00 0.21 0.00 0.00 66.02 64.58 1i4v s SER 115 CO 0.36 -0.16 1.89 -2.65 0.41 0.00 0.00 173.24 173.09 1i4v n PRO 116 N 2.65 2.64 -4.05 12.44 -0.01 -1.26 -4.79 135.00 142.61 1i4v n PRO 116 Ca 0.18 0.96 -0.17 0.00 -0.01 0.00 0.00 63.50 64.47 1i4v n PRO 116 Cb 0.38 -2.87 -0.15 0.00 -0.01 0.00 0.00 33.50 30.85 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 3.67 0.31 0.30 4.25 2.07 -1.06 -5.03 121.20 125.71 1i4v s ILE 117 Ca 0.87 -0.07 -0.20 0.00 -1.41 0.00 0.00 60.65 59.84 1i4v s ILE 117 Cb -0.53 -0.33 -0.09 0.00 0.13 0.00 0.00 42.46 41.64 1i4v s ILE 117 CO 0.43 0.14 0.81 0.28 -1.91 0.00 0.00 174.94 174.69 1i4v s THR 118 N 0.52 4.48 0.62 4.00 -1.32 -1.26 -2.67 115.64 120.01 1i4v s THR 118 Ca -0.06 1.37 0.03 0.00 -1.21 0.00 0.00 61.69 61.82 1i4v s THR 118 Cb -0.09 -3.80 0.09 0.00 -1.51 0.00 0.00 72.50 67.18 1i4v s THR 118 CO -0.01 0.03 0.86 -0.63 -2.21 0.00 0.00 174.62 172.66 1i4v s ILE 119 N -1.74 2.34 1.07 5.08 1.01 -1.04 -4.97 121.20 122.95 1i4v s ILE 119 Ca 0.50 -0.73 -0.15 0.00 0.00 0.00 0.00 60.65 60.27 1i4v s ILE 119 Cb -0.15 -2.61 0.23 0.00 0.01 0.00 0.00 42.46 39.95 1i4v s ILE 119 CO 0.20 0.00 0.52 -0.24 0.00 0.00 0.00 174.94 175.41 1i4v n SER 120 N -2.50 -3.30 -4.17 3.58 2.88 -1.26 -4.56 113.62 104.29 1i4v n SER 120 Ca 0.13 -0.52 -0.31 0.00 -1.33 0.00 0.00 58.87 56.84 1i4v n SER 120 Cb 0.60 -0.79 -0.09 0.00 -0.75 0.00 0.00 64.21 63.19 1i4v n SER 120 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1i4v n SER 121 N -2.32 2.03 -4.08 -3.46 3.41 -1.26 -3.97 113.62 103.95 1i4v n SER 121 Ca 0.08 -2.59 -0.32 0.00 -0.26 0.00 0.00 58.87 55.78 1i4v n SER 121 Cb 0.36 -1.36 -0.01 0.00 -0.26 0.00 0.00 64.21 62.94 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 7.93 -3.77 0.00 4.33 0.00 -1.26 -4.90 120.64 122.97 1i4v n GLU 122 Ca 0.45 0.44 0.00 0.00 0.00 0.00 0.00 57.16 58.05 1i4v n GLU 122 Cb 0.45 -5.06 0.00 0.00 0.00 0.00 0.00 31.44 26.82 1i4v n GLU 122 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1i4v n ASP 123 N -2.78 0.00 -3.16 4.31 9.92 -1.26 -4.72 116.55 118.86 1i4v n ASP 123 Ca -0.03 0.38 -0.17 0.00 -0.53 0.00 0.00 54.79 54.44 1i4v n ASP 123 Cb 0.55 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.97 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 -0.76 -0.24 -0.22 -3.53 2.01 -1.26 -5.10 115.64 106.54 1i4v s THR 124 Ca 0.00 -1.82 -0.00 0.00 0.31 0.00 0.00 61.69 60.18 1i4v s THR 124 Cb 0.00 -0.72 0.02 0.00 0.01 0.00 0.00 72.50 71.82 1i4v s THR 124 CO 0.00 -0.70 -0.12 -0.76 -0.69 0.00 0.00 174.62 172.34 1i4v s LEU 125 N 0.55 2.74 0.08 4.42 2.01 -1.26 -4.08 118.68 123.13 1i4v s LEU 125 Ca 0.30 -0.79 -0.08 0.00 0.01 0.00 0.00 54.13 53.57 1i4v s LEU 125 Cb -0.00 -1.58 -0.01 0.00 0.01 0.00 0.00 46.19 44.61 1i4v s LEU 125 CO -0.12 -0.07 0.16 -0.62 1.01 0.00 0.00 176.35 176.71 1i4v s ASP 126 N 1.30 0.16 0.47 2.29 2.15 -1.13 -4.95 116.67 116.96 1i4v s ASP 126 Ca 0.02 -0.68 -0.17 0.00 0.43 0.00 0.00 52.55 52.15 1i4v s ASP 126 Cb -0.15 0.32 -0.08 0.00 -0.30 0.00 0.00 42.92 42.70 1i4v s ASP 126 CO -0.08 -0.70 0.93 -0.69 -0.17 0.00 0.00 175.17 174.46 1i4v s VAL 127 N -3.81 4.54 -0.26 1.11 1.01 -1.26 -0.64 120.40 121.09 1i4v s VAL 127 Ca 0.05 1.19 -0.12 0.00 0.00 0.00 0.00 61.98 63.09 1i4v s VAL 127 Cb 0.05 -3.69 -0.14 0.00 0.00 0.00 0.00 36.38 32.60 1i4v s VAL 127 CO -0.11 -0.56 -0.24 0.33 0.00 0.00 0.00 175.10 174.53 1i4v n PHE 128 N -1.26 0.18 -0.92 5.22 7.35 -0.07 -4.74 117.46 123.21 1i4v n PHE 128 Ca 0.06 0.07 0.00 0.00 -0.76 0.00 0.00 57.45 56.82 1i4v n PHE 128 Cb 0.54 -1.02 0.00 0.00 0.35 0.00 0.00 39.48 39.35 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 1.46 2.86 0.31 7.13 0.00 -1.25 -3.16 105.19 112.55 1i4v n GLY 129 Ca -0.50 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 43.70 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 -3.64 1.61 3.14 -0.48 -2.69 118.33 116.27 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 0.18 -0.01 0.00 -1.06 0.00 0.00 33.84 32.96 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 -0.48 1.55 0.11 -1.26 -4.86 120.40 115.45 1i4v s VAL 131 Ca 0.00 -0.27 0.06 0.00 -2.93 0.00 0.00 61.98 58.84 1i4v s VAL 131 Cb 0.00 -1.87 0.18 0.00 -1.53 0.00 0.00 36.38 33.17 1i4v s VAL 131 CO 0.00 0.00 0.63 -0.63 -3.33 0.00 0.00 175.10 171.77 1i4v s ILE 132 N -2.60 -0.72 -0.34 7.04 1.09 -1.25 -2.89 121.20 121.52 1i4v s ILE 132 Ca 0.13 -1.23 -0.29 0.00 -1.10 0.00 0.00 60.65 58.16 1i4v s ILE 132 Cb 0.03 -0.26 -0.01 0.00 -1.06 0.00 0.00 42.46 41.16 1i4v s ILE 132 CO -0.03 -0.26 1.59 -1.00 -0.10 0.00 0.00 174.94 175.14 1i4v s HIS 133 N 0.82 2.14 -0.26 3.97 3.76 0.15 -4.73 115.29 121.14 1i4v s HIS 133 Ca 0.29 0.64 -0.29 0.00 -0.15 0.00 0.00 55.06 55.55 1i4v s HIS 133 Cb -0.00 -4.17 0.01 0.00 1.11 0.00 0.00 32.58 29.53 1i4v s HIS 133 CO -0.08 -2.50 1.10 0.08 -0.85 0.00 0.00 174.74 172.50 1i4v s VAL 134 N 5.90 4.52 -0.58 -0.90 1.01 -1.26 -1.68 120.40 127.41 1i4v s VAL 134 Ca 0.70 1.80 -0.14 0.00 0.00 0.00 0.00 61.98 64.34 1i4v s VAL 134 Cb -0.19 -4.30 0.14 0.00 0.00 0.00 0.00 36.38 32.04 1i4v s VAL 134 CO 0.32 -0.31 0.52 -0.69 0.00 0.00 0.00 175.10 174.94 1i4v s VAL 135 N 3.50 5.05 -0.57 2.92 1.01 0.15 -4.95 120.40 127.51 1i4v s VAL 135 Ca 0.47 -1.76 -0.27 0.00 0.00 0.00 0.00 61.98 60.42 1i4v s VAL 135 Cb -0.15 -4.23 0.03 0.00 0.00 0.00 0.00 36.38 32.03 1i4v s VAL 135 CO 0.12 -0.88 1.12 -0.54 0.00 0.00 0.00 175.10 174.92 1i4v s LYS 136 N 1.27 3.46 -0.38 2.72 1.02 -1.26 -0.61 119.74 125.96 1i4v s LYS 136 Ca 0.06 0.11 -0.27 0.00 0.02 0.00 0.00 55.97 55.89 1i4v s LYS 136 Cb -0.26 -4.02 -0.05 0.00 -0.52 0.00 0.00 37.83 32.98 1i4v s LYS 136 CO 0.00 -1.62 2.24 0.00 -0.92 0.00 0.00 175.35 175.05 1i4v s ALA 137 N 4.66 2.21 -0.43 5.17 0.00 -1.26 -4.91 121.76 127.19 1i4v s ALA 137 Ca 0.39 0.29 -0.08 0.00 0.00 0.00 0.00 51.96 52.57 1i4v s ALA 137 Cb -0.09 -4.21 0.10 0.00 0.00 0.00 0.00 23.12 18.92 1i4v s ALA 137 CO 0.24 -3.61 0.27 1.41 0.00 0.00 0.00 175.76 174.07 1i4v s MET 138 N 7.20 2.47 0.00 0.00 1.75 -1.26 -5.01 119.30 124.45 1i4v s MET 138 Ca 0.95 -1.60 0.00 0.00 -1.25 0.00 0.00 55.69 53.79 1i4v s MET 138 Cb -0.23 -3.78 0.00 0.00 2.84 0.00 0.00 34.83 33.66 1i4v s MET 138 CO 0.30 -1.04 0.27 -2.13 -0.65 0.00 0.00 175.02 171.77