#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wx5 n PRO 42 N 0.00 2.61 -2.70 0.00 -0.02 -1.26 -4.96 135.00 128.67 1wx5 n PRO 42 Ca 0.00 0.92 -0.40 0.00 -2.02 0.00 0.00 63.50 61.99 1wx5 n PRO 42 Cb 0.00 -2.67 -0.05 0.00 -0.02 0.00 0.00 33.50 30.76 1wx5 n PRO 42 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1wx5 s GLU 43 N -2.16 4.76 1.16 -0.52 -1.05 -1.26 -4.83 118.70 114.80 1wx5 s GLU 43 Ca 0.54 1.52 -0.16 0.00 -0.15 0.00 0.00 54.97 56.73 1wx5 s GLU 43 Cb -0.47 -3.31 0.27 0.00 -0.44 0.00 0.00 34.13 30.18 1wx5 s GLU 43 CO 0.63 0.35 1.06 -1.12 0.95 0.00 0.00 175.26 177.13 1wx5 s SER 44 N -0.66 1.18 0.20 0.83 0.01 -1.26 -4.93 113.70 109.08 1wx5 s SER 44 Ca 0.44 1.02 -0.22 0.00 1.31 0.00 0.00 55.95 58.50 1wx5 s SER 44 Cb -0.26 -1.55 0.07 0.00 0.21 0.00 0.00 66.02 64.50 1wx5 s SER 44 CO 0.32 -4.00 0.99 0.72 0.41 0.00 0.00 173.24 171.68 1wx5 s PHE 45 N -2.78 0.01 -0.30 2.43 -0.12 -1.05 -5.00 117.98 111.17 1wx5 s PHE 45 Ca 0.68 -0.41 -0.16 0.00 -0.05 0.00 0.00 56.93 56.99 1wx5 s PHE 45 Cb -0.17 0.70 0.18 0.00 -0.63 0.00 0.00 43.02 43.10 1wx5 s PHE 45 CO 0.59 -0.96 1.16 0.34 -0.05 0.00 0.00 175.22 176.30 1wx5 s ASP 46 N -3.22 -0.17 0.20 1.98 -1.08 -1.26 -2.93 116.67 110.19 1wx5 s ASP 46 Ca 0.18 0.07 -0.09 0.00 -0.52 0.00 0.00 52.55 52.19 1wx5 s ASP 46 Cb -0.02 1.13 -0.01 0.00 -1.46 0.00 0.00 42.92 42.55 1wx5 s ASP 46 CO 0.05 -0.03 0.32 -1.83 0.52 0.00 0.00 175.17 174.20 1wx5 s GLU 47 N 2.98 1.31 -0.19 4.34 -1.05 0.59 -4.99 118.70 121.69 1wx5 s GLU 47 Ca 0.10 -1.30 -0.11 0.00 -0.15 0.00 0.00 54.97 53.51 1wx5 s GLU 47 Cb -0.05 0.39 -0.05 0.00 -0.44 0.00 0.00 34.13 33.98 1wx5 s GLU 47 CO -0.15 -0.50 0.18 0.08 0.95 0.00 0.00 175.26 175.83 1wx5 s VAL 48 N -4.03 5.38 -0.09 1.83 1.01 -1.26 0.04 120.40 123.29 1wx5 s VAL 48 Ca 0.24 0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.51 1wx5 s VAL 48 Cb 0.03 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.91 1wx5 s VAL 48 CO 0.06 0.42 -0.04 -0.47 0.00 0.00 0.00 175.10 175.07 1wx5 s TYR 49 N 0.41 1.05 -1.36 5.22 5.04 0.19 -4.83 117.35 123.07 1wx5 s TYR 49 Ca 0.11 -0.43 -0.09 0.00 -2.44 0.00 0.00 57.07 54.21 1wx5 s TYR 49 Cb -0.12 -0.99 0.01 0.00 0.35 0.00 0.00 41.96 41.21 1wx5 s TYR 49 CO -0.00 -0.40 0.43 1.63 -1.34 0.00 0.00 175.55 175.87 1wx5 n LYS 50 N 4.94 -1.92 0.00 4.97 5.02 -1.26 -0.80 118.16 129.11 1wx5 n LYS 50 Ca -0.11 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1wx5 n LYS 50 Cb 0.50 -3.93 0.00 0.00 -0.02 0.00 0.00 35.03 31.58 1wx5 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wx5 n GLY 51 N -2.08 2.86 3.42 0.72 0.00 -1.26 -4.99 105.19 103.85 1wx5 n GLY 51 Ca -0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 1wx5 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wx5 s ARG 52 N 0.00 2.47 -0.59 1.61 0.52 0.02 -5.08 118.95 117.90 1wx5 s ARG 52 Ca 0.00 -0.76 -0.28 0.00 -0.52 0.00 0.00 55.73 54.17 1wx5 s ARG 52 Cb 0.00 -2.30 0.03 0.00 0.52 0.00 0.00 34.95 33.19 1wx5 s ARG 52 CO 0.00 0.57 1.25 0.50 0.02 0.00 0.00 175.30 177.64 1wx5 s ARG 53 N -0.61 3.45 -0.02 3.54 3.52 -1.26 0.54 118.95 128.10 1wx5 s ARG 53 Ca 0.09 0.27 -0.10 0.00 -0.13 0.00 0.00 55.73 55.86 1wx5 s ARG 53 Cb -0.11 -4.05 -0.05 0.00 -1.56 0.00 0.00 34.95 29.18 1wx5 s ARG 53 CO 0.01 -1.77 0.30 0.96 -0.81 0.00 0.00 175.30 173.99 1wx5 s ILE 54 N 5.26 5.24 -0.20 4.11 -4.36 0.11 -0.74 121.20 130.61 1wx5 s ILE 54 Ca 0.45 0.45 -0.29 0.00 -0.26 0.00 0.00 60.65 60.99 1wx5 s ILE 54 Cb -0.08 -3.58 0.14 0.00 1.25 0.00 0.00 42.46 40.18 1wx5 s ILE 54 CO 0.25 0.50 1.07 0.00 0.24 0.00 0.00 174.94 177.00 1wx5 s GLN 55 N -1.35 0.48 0.16 0.37 -2.07 -0.83 -0.30 119.66 116.12 1wx5 s GLN 55 Ca 0.24 0.16 -0.24 0.00 -1.82 0.00 0.00 55.36 53.70 1wx5 s GLN 55 Cb -0.14 0.23 0.06 0.00 -1.09 0.00 0.00 33.01 32.07 1wx5 s GLN 55 CO 0.12 -0.14 0.76 0.20 -1.32 0.00 0.00 175.29 174.91 1wx5 s GLY 56 N -0.93 -0.37 0.02 2.60 0.00 -1.15 -0.39 107.32 107.10 1wx5 s GLY 56 Ca 0.01 0.30 -0.28 0.00 0.00 0.00 0.00 44.72 44.75 1wx5 s GLY 56 CO -0.01 0.09 0.87 1.09 0.00 0.00 0.00 173.10 175.14 1wx5 s ARG 57 N -3.59 0.88 0.26 2.90 3.03 0.57 -2.54 118.95 120.46 1wx5 s ARG 57 Ca 0.07 -0.34 -0.31 0.00 2.03 0.00 0.00 55.73 57.18 1wx5 s ARG 57 Cb -0.02 0.40 -0.13 0.00 -1.03 0.00 0.00 34.95 34.16 1wx5 s ARG 57 CO -0.04 -0.39 1.45 -0.35 -1.13 0.00 0.00 175.30 174.85 1wx5 n PRO 58 N -0.27 2.24 -0.02 3.89 -0.04 -1.26 -0.22 135.00 139.31 1wx5 n PRO 58 Ca -0.09 0.79 -0.01 0.00 -0.04 0.00 0.00 63.50 64.15 1wx5 n PRO 58 Cb 0.62 -2.48 -0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1wx5 n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wx5 h ALA 59 N 4.26 0.00 -0.03 0.55 0.00 -2.01 -3.45 119.26 118.58 1wx5 h ALA 59 Ca -0.46 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 1wx5 h ALA 59 Cb 1.26 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1wx5 h ALA 59 CO 0.76 0.13 0.02 0.41 0.00 0.00 0.00 179.25 180.56 1wx5 n GLY 71 N 1.75 2.08 2.95 0.00 0.00 -1.26 -5.02 105.19 105.69 1wx5 n GLY 71 Ca -0.02 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 1wx5 n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wx5 s TYR 72 N -0.09 0.41 -0.07 1.61 5.04 -1.26 -5.04 117.35 117.95 1wx5 s TYR 72 Ca 0.02 -0.08 0.03 0.00 -2.44 0.00 0.00 57.07 54.60 1wx5 s TYR 72 Cb 0.01 -0.27 -0.02 0.00 0.35 0.00 0.00 41.96 42.03 1wx5 s TYR 72 CO 0.00 -0.01 -0.15 -1.21 -1.34 0.00 0.00 175.55 172.84 1wx5 s GLU 73 N -0.11 2.72 0.00 4.97 2.02 0.69 -4.83 118.70 124.16 1wx5 s GLU 73 Ca 0.02 -0.71 0.05 0.00 0.02 0.00 0.00 54.97 54.34 1wx5 s GLU 73 Cb -0.02 -2.42 -0.02 0.00 0.10 0.00 0.00 34.13 31.78 1wx5 s GLU 73 CO -0.00 0.50 -0.16 0.08 0.02 0.00 0.00 175.26 175.70 1wx5 s VAL 74 N -0.42 1.28 0.01 2.63 1.01 -1.26 -0.32 120.40 123.33 1wx5 s VAL 74 Ca 0.05 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1wx5 s VAL 74 Cb -0.12 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1wx5 s VAL 74 CO 0.02 0.27 -0.05 -0.36 0.00 0.00 0.00 175.10 174.98 1wx5 s PHE 75 N -0.51 0.47 -0.27 5.22 0.40 0.48 0.81 117.98 124.58 1wx5 s PHE 75 Ca 0.05 -0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.21 1wx5 s PHE 75 Cb -0.07 -0.30 0.07 0.00 0.51 0.00 0.00 43.02 43.23 1wx5 s PHE 75 CO 0.00 -0.03 -0.05 0.08 0.70 0.00 0.00 175.22 175.91 1wx5 s VAL 76 N -0.46 1.90 -1.19 -0.44 1.01 0.18 -1.97 120.40 119.43 1wx5 s VAL 76 Ca -0.02 -1.60 -0.00 0.00 0.00 0.00 0.00 61.98 60.37 1wx5 s VAL 76 Cb -0.04 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.19 1wx5 s VAL 76 CO -0.00 -0.18 1.00 0.47 0.00 0.00 0.00 175.10 176.39 1wx5 n ASP 77 N 4.51 -2.17 0.00 3.32 8.00 0.08 -2.85 116.55 127.43 1wx5 n ASP 77 Ca -0.10 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.78 1wx5 n ASP 77 Cb 0.43 -5.12 0.00 0.00 -0.02 0.00 0.00 41.12 36.40 1wx5 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wx5 n GLY 78 N -1.13 2.99 3.87 0.44 0.00 -1.26 -5.00 105.19 105.10 1wx5 n GLY 78 Ca -0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 1wx5 n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wx5 s VAL 79 N -1.61 5.43 -0.08 1.61 1.01 -1.13 -5.03 120.40 120.60 1wx5 s VAL 79 Ca 0.00 0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 1wx5 s VAL 79 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1wx5 s VAL 79 CO 0.00 0.61 1.21 -1.58 0.00 0.00 0.00 175.10 175.34 1wx5 s GLN 80 N -1.06 4.33 -0.54 2.72 0.74 -1.26 0.51 119.66 125.10 1wx5 s GLN 80 Ca 0.17 1.67 -0.15 0.00 0.05 0.00 0.00 55.36 57.10 1wx5 s GLN 80 Cb -0.13 -3.60 0.13 0.00 1.10 0.00 0.00 33.01 30.52 1wx5 s GLN 80 CO 0.06 -0.50 0.48 -1.17 -0.55 0.00 0.00 175.29 173.62 1wx5 s LEU 81 N 2.46 6.13 -0.19 3.68 2.96 0.24 -4.90 118.68 129.06 1wx5 s LEU 81 Ca 0.56 -1.83 -0.37 0.00 -0.22 0.00 0.00 54.13 52.26 1wx5 s LEU 81 Cb -0.24 -2.18 -0.14 0.00 0.50 0.00 0.00 46.19 44.13 1wx5 s LEU 81 CO 0.21 -0.83 1.81 1.57 -1.32 0.00 0.00 176.35 177.78 1wx5 n HIS 82 N 5.17 2.18 -4.46 5.38 -0.00 -1.26 -4.33 115.22 117.89 1wx5 n HIS 82 Ca -0.12 0.29 -0.26 0.00 -0.00 0.00 0.00 57.72 57.63 1wx5 n HIS 82 Cb 0.40 -2.55 -0.10 0.00 -0.00 0.00 0.00 29.99 27.74 1wx5 n HIS 82 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1wx5 s VAL 83 N 3.77 2.38 -0.11 3.57 -7.23 -1.26 -1.00 120.40 120.51 1wx5 s VAL 83 Ca 0.96 -2.11 -0.07 0.00 -1.81 0.00 0.00 61.98 58.95 1wx5 s VAL 83 Cb -0.90 -2.72 0.04 0.00 0.56 0.00 0.00 36.38 33.37 1wx5 s VAL 83 CO 0.59 -0.19 0.27 -0.32 -0.31 0.00 0.00 175.10 175.14 1wx5 s MET 84 N -3.66 0.27 -0.06 4.82 1.75 0.15 -4.93 119.30 117.63 1wx5 s MET 84 Ca 0.33 0.50 -0.12 0.00 -1.25 0.00 0.00 55.69 55.15 1wx5 s MET 84 Cb 0.02 -0.01 -0.05 0.00 2.84 0.00 0.00 34.83 37.63 1wx5 s MET 84 CO 0.18 -0.12 0.31 0.50 -0.65 0.00 0.00 175.02 175.24 1wx5 s ARG 85 N 0.87 3.83 0.59 4.11 3.52 -1.26 -0.85 118.95 129.76 1wx5 s ARG 85 Ca -0.06 0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.75 1wx5 s ARG 85 Cb -0.07 -3.25 0.05 0.00 -1.56 0.00 0.00 34.95 30.12 1wx5 s ARG 85 CO -0.06 0.64 0.83 -0.80 -0.81 0.00 0.00 175.30 175.10 1wx5 s ASN 86 N -0.81 5.11 0.23 -2.12 0.01 0.50 -4.97 114.94 112.89 1wx5 s ASN 86 Ca 0.20 -0.00 -0.07 0.00 -0.71 0.00 0.00 52.86 52.28 1wx5 s ASN 86 Cb -0.15 -0.79 0.36 0.00 0.41 0.00 0.00 41.25 41.08 1wx5 s ASN 86 CO 0.09 -1.29 1.74 0.00 -1.51 0.00 0.00 177.10 176.13 1wx5 h ALA 87 N -0.08 0.92 -0.04 0.60 0.00 -1.99 -0.89 119.26 117.78 1wx5 h ALA 87 Ca -0.42 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1wx5 h ALA 87 Cb 1.30 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1wx5 h ALA 87 CO 0.52 -0.19 0.02 -0.40 0.00 0.00 0.00 179.25 179.19 1wx5 n ASP 88 N -4.99 2.10 0.00 0.00 5.68 -1.26 -4.83 116.55 113.25 1wx5 n ASP 88 Ca 0.11 -2.07 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 1wx5 n ASP 88 Cb 0.34 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 1wx5 n ASP 88 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wx5 n GLY 89 N 0.21 0.53 3.87 6.12 0.00 -0.34 -5.00 105.19 110.59 1wx5 n GLY 89 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1wx5 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wx5 s SER 90 N -2.53 3.51 0.09 1.61 1.04 -1.26 -4.74 113.70 111.42 1wx5 s SER 90 Ca 0.00 0.59 0.02 0.00 0.48 0.00 0.00 55.95 57.03 1wx5 s SER 90 Cb 0.00 -0.89 -0.04 0.00 0.10 0.00 0.00 66.02 65.19 1wx5 s SER 90 CO 0.00 -2.51 -0.07 0.26 0.98 0.00 0.00 173.24 171.90 1wx5 s TRP 91 N -3.62 0.85 0.29 5.02 0.52 0.39 -0.37 118.94 122.02 1wx5 s TRP 91 Ca 0.68 -0.88 0.02 0.00 0.02 0.00 0.00 56.10 55.94 1wx5 s TRP 91 Cb -0.09 -0.50 -0.03 0.00 -1.15 0.00 0.00 33.47 31.71 1wx5 s TRP 91 CO 0.52 -0.15 0.29 0.96 0.02 0.00 0.00 176.95 178.58 1wx5 s ILE 92 N -3.39 0.00 0.22 2.03 -4.36 -0.03 -0.04 121.20 115.63 1wx5 s ILE 92 Ca 0.09 -1.89 -0.10 0.00 -0.26 0.00 0.00 60.65 58.50 1wx5 s ILE 92 Cb 0.04 -2.51 -0.01 0.00 1.25 0.00 0.00 42.46 41.22 1wx5 s ILE 92 CO -0.04 0.00 0.38 -0.94 0.24 0.00 0.00 174.94 174.58 1wx5 s SER 93 N -3.27 -0.03 0.58 4.36 1.04 -0.95 -0.67 113.70 114.76 1wx5 s SER 93 Ca 0.37 -1.01 0.31 0.00 0.48 0.00 0.00 55.95 56.10 1wx5 s SER 93 Cb 0.03 0.52 1.79 0.00 0.10 0.00 0.00 66.02 68.46 1wx5 s SER 93 CO 0.21 -1.04 2.22 1.62 0.98 0.00 0.00 173.24 177.23 1wx5 h VAL 94 N 2.37 0.47 0.00 5.02 3.04 -1.41 -0.85 116.25 124.89 1wx5 h VAL 94 Ca -0.29 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 1wx5 h VAL 94 Cb 1.25 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 1wx5 h VAL 94 CO 0.41 0.03 -0.57 0.52 -1.01 0.00 0.00 177.57 176.95 1wx5 n VAL 95 N -3.69 0.15 -2.82 1.51 0.31 -1.26 -4.48 118.33 108.05 1wx5 n VAL 95 Ca -0.03 -0.13 -0.08 0.00 -0.01 0.00 0.00 64.34 64.10 1wx5 n VAL 95 Cb 0.13 0.07 0.01 0.00 -0.91 0.00 0.00 33.84 33.13 1wx5 n VAL 95 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1wx5 n SER 96 N -1.77 -2.97 0.02 4.52 2.88 -0.60 -4.96 113.62 110.74 1wx5 n SER 96 Ca 0.04 -2.97 0.13 0.00 -1.33 0.00 0.00 58.87 54.75 1wx5 n SER 96 Cb 0.38 1.52 0.46 0.00 -0.75 0.00 0.00 64.21 65.82 1wx5 n SER 96 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1wx5 n HIS 97 N 2.55 0.20 0.18 0.66 -0.00 -0.43 -2.24 115.22 116.15 1wx5 n HIS 97 Ca 0.17 0.06 0.03 0.00 0.46 0.00 0.00 57.72 58.44 1wx5 n HIS 97 Cb 0.57 -0.53 0.04 0.00 -0.12 0.00 0.00 29.99 29.95 1wx5 n HIS 97 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1wx5 n TYR 98 N -1.68 0.06 -3.91 1.57 4.02 -1.26 -4.83 117.16 111.12 1wx5 n TYR 98 Ca 0.06 -0.11 -0.30 0.00 -0.01 0.00 0.00 57.90 57.54 1wx5 n TYR 98 Cb 0.36 -0.01 -0.13 0.00 -0.02 0.00 0.00 39.34 39.55 1wx5 n TYR 98 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1wx5 s ASP 99 N -0.62 4.57 0.26 7.72 2.15 -1.26 -5.09 116.67 124.40 1wx5 s ASP 99 Ca 0.08 -3.23 -0.30 0.00 0.43 0.00 0.00 52.55 49.53 1wx5 s ASP 99 Cb 0.05 -1.67 -0.10 0.00 -0.30 0.00 0.00 42.92 40.91 1wx5 s ASP 99 CO 0.08 -0.20 1.45 -2.84 -0.17 0.00 0.00 175.17 173.48 1wx5 s PRO 100 N -0.59 4.25 0.26 4.34 0.02 -1.26 -4.79 135.00 137.23 1wx5 s PRO 100 Ca 0.19 2.33 0.09 0.00 0.02 0.00 0.00 61.00 63.64 1wx5 s PRO 100 Cb -0.20 -3.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.18 1wx5 s PRO 100 CO -0.05 -0.43 -0.15 0.14 -0.33 0.00 0.00 177.00 176.19 1wx5 s VAL 101 N -0.10 2.07 0.24 3.83 -7.23 0.94 -4.85 120.40 115.29 1wx5 s VAL 101 Ca 0.59 -2.27 -0.05 0.00 -1.81 0.00 0.00 61.98 58.43 1wx5 s VAL 101 Cb -0.42 -2.28 0.20 0.00 0.56 0.00 0.00 36.38 34.44 1wx5 s VAL 101 CO 0.45 -0.43 1.82 1.55 -0.31 0.00 0.00 175.10 178.18 1wx5 h PRO 102 N 2.34 0.79 -4.74 4.82 0.13 -1.91 1.12 132.00 134.55 1wx5 h PRO 102 Ca -0.40 -0.05 -0.29 0.00 -0.87 0.00 0.00 66.00 64.40 1wx5 h PRO 102 Cb 1.24 -0.18 -0.15 0.00 0.13 0.00 0.00 31.00 32.05 1wx5 h PRO 102 CO 0.63 0.52 -0.63 0.95 -0.23 0.00 0.00 178.00 179.24 1wx5 s THR 103 N -6.05 0.39 -0.62 1.56 -4.23 -1.26 -4.47 115.64 100.97 1wx5 s THR 103 Ca -0.13 -1.99 0.23 0.00 -1.18 0.00 0.00 61.69 58.63 1wx5 s THR 103 Cb 0.18 -2.43 0.24 0.00 1.34 0.00 0.00 72.50 71.83 1wx5 s THR 103 CO 0.78 -0.15 1.70 -2.65 -0.54 0.00 0.00 174.62 173.76 1wx5 n PRO 104 N -0.33 0.17 0.08 3.99 -0.02 -1.26 -0.39 135.00 137.24 1wx5 n PRO 104 Ca -0.01 0.34 -0.22 0.00 -2.02 0.00 0.00 63.50 61.59 1wx5 n PRO 104 Cb 0.65 -1.79 -0.15 0.00 -0.02 0.00 0.00 33.50 32.19 1wx5 n PRO 104 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1wx5 h ARG 105 N 0.00 0.39 -0.27 -0.52 2.43 -1.95 -1.69 114.38 112.77 1wx5 h ARG 105 Ca 0.00 -0.67 -0.02 0.00 -0.81 0.00 0.00 59.98 58.47 1wx5 h ARG 105 Cb 0.42 0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1wx5 h ARG 105 CO 0.00 1.32 0.08 0.00 -1.51 0.00 0.00 179.97 179.86 1wx5 h ALA 106 N 0.09 0.36 -0.42 2.80 0.00 -1.81 -0.75 119.26 119.53 1wx5 h ALA 106 Ca -0.24 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.54 1wx5 h ALA 106 Cb 1.92 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 1wx5 h ALA 106 CO 0.19 -0.00 0.28 0.00 0.00 0.00 0.00 179.25 179.71 1wx5 h ALA 107 N 0.91 1.79 -0.31 0.00 0.00 -0.78 0.66 119.26 121.53 1wx5 h ALA 107 Ca 0.09 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 1wx5 h ALA 107 Cb 0.25 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1wx5 h ALA 107 CO -0.00 0.17 -0.45 0.00 0.00 0.00 0.00 179.25 178.96 1wx5 h ALA 108 N 1.75 0.47 0.00 0.00 0.00 -0.71 -2.85 119.26 117.93 1wx5 h ALA 108 Ca 0.17 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1wx5 h ALA 108 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1wx5 h ALA 108 CO -0.04 0.62 -0.50 0.00 0.00 0.00 0.00 179.25 179.33 1wx5 h ARG 109 N 0.63 0.00 -0.42 0.00 3.08 -0.21 -1.84 114.38 115.62 1wx5 h ARG 109 Ca 0.03 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 1wx5 h ARG 109 Cb 1.05 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 1wx5 h ARG 109 CO 0.11 0.50 0.06 0.00 -1.07 0.00 0.00 179.97 179.57 1wx5 h ALA 110 N 1.50 0.56 0.55 0.04 0.00 -0.83 -2.48 119.26 118.59 1wx5 h ALA 110 Ca -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1wx5 h ALA 110 Cb 0.93 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.56 1wx5 h ALA 110 CO 0.07 0.28 -0.26 0.00 0.00 0.00 0.00 179.25 179.33 1wx5 h ALA 111 N 0.93 -0.73 -0.92 0.00 0.00 -1.32 -0.99 119.26 116.23 1wx5 h ALA 111 Ca 0.13 -0.19 0.24 0.00 0.00 0.00 0.00 54.91 55.09 1wx5 h ALA 111 Cb 0.39 0.28 -0.13 0.00 0.00 0.00 0.00 17.79 18.33 1wx5 h ALA 111 CO 0.01 -0.83 0.40 0.28 0.00 0.00 0.00 179.25 179.11 1wx5 h VAL 112 N -0.90 0.41 0.78 0.00 2.07 -1.36 0.46 116.25 117.71 1wx5 h VAL 112 Ca -0.07 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 1wx5 h VAL 112 Cb 0.62 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1wx5 h VAL 112 CO 0.12 0.06 -0.37 0.44 0.02 0.00 0.00 177.57 177.84 1wx5 h ASP 113 N 0.35 -0.88 -0.43 0.57 3.32 -1.17 -3.14 116.42 115.04 1wx5 h ASP 113 Ca 0.59 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.72 1wx5 h ASP 113 Cb 1.19 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.95 1wx5 h ASP 113 CO -0.57 -0.58 0.29 1.05 -1.72 0.00 0.00 179.24 177.71 1wx5 h GLU 114 N -1.15 0.38 0.00 3.56 -0.00 -0.16 -2.36 114.58 114.84 1wx5 h GLU 114 Ca -0.11 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.36 59.22 1wx5 h GLU 114 Cb 0.80 -0.08 -0.00 0.00 -0.00 0.00 0.00 28.75 29.46 1wx5 h GLU 114 CO 0.17 0.25 -0.06 -0.07 -0.00 0.00 0.00 179.01 179.30 1wx5 h LEU 115 N 0.39 0.00 -2.23 3.06 3.38 -0.08 -3.47 115.31 116.36 1wx5 h LEU 115 Ca 0.18 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.63 1wx5 h LEU 115 Cb 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 1wx5 h LEU 115 CO -0.04 0.06 -0.92 0.00 0.09 0.00 0.00 178.44 177.63 1wx5 n GLN 116 N -3.71 -2.46 0.00 1.13 6.02 -0.89 -0.46 117.38 117.00 1wx5 n GLN 116 Ca -0.02 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 1wx5 n GLN 116 Cb 0.16 -4.19 0.00 0.00 1.02 0.00 0.00 30.24 27.23 1wx5 n GLN 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wx5 n GLY 117 N -2.05 2.95 3.72 1.08 0.00 -1.26 -5.00 105.19 104.62 1wx5 n GLY 117 Ca -0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 1wx5 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wx5 s ALA 118 N -2.90 3.34 0.39 4.61 0.00 0.39 -5.02 121.76 122.55 1wx5 s ALA 118 Ca 0.00 0.77 -0.23 0.00 0.00 0.00 0.00 51.96 52.50 1wx5 s ALA 118 Cb 0.00 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 1wx5 s ALA 118 CO 0.00 -0.33 0.95 -2.14 0.00 0.00 0.00 175.76 174.25 1wx5 s PRO 119 N 0.67 4.36 0.62 0.00 0.02 -1.26 -4.85 135.00 134.56 1wx5 s PRO 119 Ca 0.55 1.22 -0.14 0.00 0.02 0.00 0.00 61.00 62.64 1wx5 s PRO 119 Cb -0.28 -2.43 -0.02 0.00 0.02 0.00 0.00 34.50 31.79 1wx5 s PRO 119 CO 0.30 0.08 1.06 -0.51 -0.33 0.00 0.00 177.00 177.60 1wx5 s LEU 120 N -2.73 3.40 0.02 -5.54 1.43 -1.26 -5.03 118.68 108.97 1wx5 s LEU 120 Ca 0.57 1.76 -0.14 0.00 -1.03 0.00 0.00 54.13 55.30 1wx5 s LEU 120 Cb -0.13 -4.52 -0.06 0.00 0.03 0.00 0.00 46.19 41.51 1wx5 s LEU 120 CO 0.18 -1.24 0.41 -0.76 0.23 0.00 0.00 176.35 175.17 1wx5 s LEU 121 N -4.78 4.46 0.00 1.79 1.43 -1.26 -4.97 118.68 115.34 1wx5 s LEU 121 Ca 0.62 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 1wx5 s LEU 121 Cb -0.15 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.40 1wx5 s LEU 121 CO 0.42 0.30 0.40 -2.65 0.23 0.00 0.00 176.35 175.04