#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdi s GLU 2 N 0.00 0.74 -0.10 2.12 -1.05 -1.26 -4.20 118.70 114.94 2wdi s GLU 2 Ca 0.00 0.45 0.02 0.00 -0.15 0.00 0.00 54.97 55.28 2wdi s GLU 2 Cb 0.00 0.35 -0.02 0.00 -0.44 0.00 0.00 34.13 34.03 2wdi s GLU 2 CO 0.00 -0.18 -0.15 0.00 0.95 0.00 0.00 175.26 175.88 2wdi s ALA 3 N -0.52 2.56 0.73 -0.84 0.00 -0.55 -4.95 121.76 118.19 2wdi s ALA 3 Ca -0.03 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2wdi s ALA 3 Cb -0.02 -1.07 0.14 0.00 0.00 0.00 0.00 23.12 22.17 2wdi s ALA 3 CO 0.02 0.35 0.98 1.63 0.00 0.00 0.00 175.76 178.74 2wdi n LYS 4 N 3.16 -0.09 0.00 0.00 5.02 -1.26 0.08 118.16 125.07 2wdi n LYS 4 Ca -0.18 -2.70 0.00 0.00 -2.02 0.00 0.00 58.31 53.41 2wdi n LYS 4 Cb 0.53 -0.65 0.00 0.00 -0.02 0.00 0.00 35.03 34.89 2wdi n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wdi n ALA 5 N -2.89 1.56 -1.91 7.82 0.00 -0.69 -4.54 120.51 119.86 2wdi n ALA 5 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2wdi n ALA 5 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2wdi n ALA 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wdi n ILE 6 N -0.78-11.40 -3.92 0.00 5.41 -1.22 -4.90 119.36 102.55 2wdi n ILE 6 Ca 0.00 2.70 -0.30 0.00 1.00 0.00 0.00 62.75 66.15 2wdi n ILE 6 Cb 0.00 -5.18 -0.16 0.00 -0.71 0.00 0.00 39.64 33.60 2wdi n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wdi s ALA 7 N -0.45 1.92 0.40 -1.39 0.00 0.60 -4.97 121.76 117.87 2wdi s ALA 7 Ca 0.00 -1.37 -0.18 0.00 0.00 0.00 0.00 51.96 50.41 2wdi s ALA 7 Cb 0.00 -1.44 -0.10 0.00 0.00 0.00 0.00 23.12 21.58 2wdi s ALA 7 CO 0.00 -1.23 0.87 1.03 0.00 0.00 0.00 175.76 176.44 2wdi s ARG 8 N 1.41 4.13 -0.73 0.00 1.81 -1.26 -1.97 118.95 122.34 2wdi s ARG 8 Ca -0.04 0.94 -0.07 0.00 -1.72 0.00 0.00 55.73 54.83 2wdi s ARG 8 Cb -0.19 -2.27 0.01 0.00 -0.45 0.00 0.00 34.95 32.05 2wdi s ARG 8 CO -0.07 0.02 0.63 0.66 -0.68 0.00 0.00 175.30 175.86 2wdi n TYR 9 N -0.61 -2.39 0.09 -0.53 0.53 -1.17 -4.93 117.16 108.15 2wdi n TYR 9 Ca 0.06 0.97 -0.23 0.00 -1.02 0.00 0.00 57.90 57.68 2wdi n TYR 9 Cb 0.54 -2.91 -0.15 0.00 -1.03 0.00 0.00 39.34 35.78 2wdi n TYR 9 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 2wdi h VAL 10 N 0.36 1.30 -1.13 -0.72 2.07 -0.93 -3.47 116.25 113.73 2wdi h VAL 10 Ca -0.48 -2.59 0.00 0.00 0.82 0.00 0.00 66.70 64.45 2wdi h VAL 10 Cb 1.31 3.04 0.00 0.00 -1.52 0.00 0.00 31.29 34.12 2wdi h VAL 10 CO 0.32 0.77 0.00 -1.14 0.02 0.00 0.00 177.57 177.54 2wdi n ARG 11 N -3.88 0.00 -3.63 1.57 0.00 -1.26 -4.91 116.66 104.55 2wdi n ARG 11 Ca -0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.63 2wdi n ARG 11 Cb 0.98 -0.80 -0.06 0.00 0.00 0.00 0.00 32.46 32.58 2wdi n ARG 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2wdi s ILE 12 N -2.22 -0.15 0.38 5.15 2.07 -1.22 -4.94 121.20 120.27 2wdi s ILE 12 Ca 0.00 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 58.97 2wdi s ILE 12 Cb 0.00 -1.00 -0.11 0.00 0.13 0.00 0.00 42.46 41.48 2wdi s ILE 12 CO 0.00 0.00 1.33 -0.24 -1.91 0.00 0.00 174.94 174.12 2wdi n SER 13 N 4.35 2.95 0.00 4.50 2.88 -1.25 -2.50 113.62 124.54 2wdi n SER 13 Ca -0.18 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 2wdi n SER 13 Cb 0.57 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 2wdi n SER 13 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2wdi n PRO 14 N 0.35 0.00 -0.12 -1.46 -0.02 -1.26 -2.59 135.00 129.90 2wdi n PRO 14 Ca 0.04 0.36 0.01 0.00 -2.02 0.00 0.00 63.50 61.89 2wdi n PRO 14 Cb 0.38 -1.10 0.03 0.00 -0.02 0.00 0.00 33.50 32.78 2wdi n PRO 14 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2wdi n ARG 15 N -1.12 -0.05 -0.32 -0.52 1.74 -1.26 0.18 116.66 115.31 2wdi n ARG 15 Ca 0.00 0.48 0.12 0.00 -0.77 0.00 0.00 57.85 57.68 2wdi n ARG 15 Cb 0.00 -0.72 0.30 0.00 -1.02 0.00 0.00 32.46 31.02 2wdi n ARG 15 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2wdi h LYS 16 N 0.00 0.54 0.07 5.56 1.79 -1.88 -2.96 116.57 119.68 2wdi h LYS 16 Ca 0.13 -0.03 -0.35 0.00 -2.18 0.00 0.00 60.65 58.21 2wdi h LYS 16 Cb 0.21 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.70 2wdi h LYS 16 CO -0.31 0.35 -2.05 1.33 -1.08 0.00 0.00 179.45 177.69 2wdi n VAL 17 N -4.92 1.67 -0.35 0.50 0.24 0.47 -4.07 118.33 111.86 2wdi n VAL 17 Ca 0.22 -0.69 0.25 0.00 -2.04 0.00 0.00 64.34 62.08 2wdi n VAL 17 Cb 0.60 -1.44 0.49 0.00 -1.47 0.00 0.00 33.84 32.02 2wdi n VAL 17 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2wdi h ARG 18 N 0.04 0.32 -0.71 7.34 3.08 -1.25 1.58 114.38 124.78 2wdi h ARG 18 Ca -0.43 -0.02 0.15 0.00 0.07 0.00 0.00 59.98 59.74 2wdi h ARG 18 Cb 2.02 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.96 2wdi h ARG 18 CO 0.05 0.21 0.48 -0.07 -1.07 0.00 0.00 179.97 179.57 2wdi h LEU 19 N 0.33 0.33 0.08 3.04 4.07 -1.67 0.26 115.31 121.76 2wdi h LEU 19 Ca 0.72 0.02 -0.26 0.00 0.08 0.00 0.00 57.88 58.43 2wdi h LEU 19 Cb 1.71 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 43.39 2wdi h LEU 19 CO -0.54 0.17 -1.39 0.58 -1.08 0.00 0.00 178.44 176.18 2wdi h VAL 20 N 0.35 0.98 -0.67 1.22 2.07 0.20 -3.13 116.25 117.27 2wdi h VAL 20 Ca 0.34 -2.34 0.12 0.00 0.82 0.00 0.00 66.70 65.65 2wdi h VAL 20 Cb 0.85 2.60 -0.09 0.00 -1.52 0.00 0.00 31.29 33.13 2wdi h VAL 20 CO -0.10 0.64 0.23 0.58 0.02 0.00 0.00 177.57 178.94 2wdi h VAL 21 N -0.45 0.68 -0.56 2.57 2.07 -0.63 0.71 116.25 120.63 2wdi h VAL 21 Ca -0.32 -0.13 0.11 0.00 0.82 0.00 0.00 66.70 67.19 2wdi h VAL 21 Cb 1.65 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 2wdi h VAL 21 CO -0.00 0.07 0.38 0.44 0.02 0.00 0.00 177.57 178.48 2wdi h ASP 22 N 0.38 0.25 0.41 0.57 3.45 -0.60 -0.71 116.42 120.16 2wdi h ASP 22 Ca 0.36 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.83 2wdi h ASP 22 Cb 0.52 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.24 2wdi h ASP 22 CO -0.38 0.15 0.00 -0.11 -1.57 0.00 0.00 179.24 177.32 2wdi n LEU 23 N -4.45 0.18 0.00 1.55 7.94 0.25 -3.41 117.00 119.04 2wdi n LEU 23 Ca 0.09 0.55 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 2wdi n LEU 23 Cb 0.43 -0.54 0.00 0.00 0.53 0.00 0.00 43.42 43.84 2wdi n LEU 23 CO 0.35 -0.41 0.11 2.30 -1.11 0.00 0.00 177.39 178.62 2wdi n ILE 24 N -1.70 0.01 -1.62 1.96 -5.35 -0.32 -5.00 119.36 107.34 2wdi n ILE 24 Ca 0.02 -0.22 -0.41 0.00 -0.27 0.00 0.00 62.75 61.88 2wdi n ILE 24 Cb 0.14 1.56 -0.03 0.00 -1.74 0.00 0.00 39.64 39.56 2wdi n ILE 24 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2wdi s ARG 25 N -0.01 2.80 0.00 6.28 3.52 -0.94 -3.04 118.95 127.56 2wdi s ARG 25 Ca 0.00 1.77 0.00 0.00 -0.13 0.00 0.00 55.73 57.37 2wdi s ARG 25 Cb 0.00 -4.43 0.00 0.00 -1.56 0.00 0.00 34.95 28.96 2wdi s ARG 25 CO 0.00 -2.48 0.00 0.41 -0.81 0.00 0.00 175.30 172.42 2wdi n GLY 26 N 5.82 0.77 3.29 8.12 0.00 -0.83 -5.05 105.19 117.31 2wdi n GLY 26 Ca 0.31 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 2wdi n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdi n LYS 27 N -0.65 0.50 -3.20 1.61 5.02 -1.17 -4.91 118.16 115.36 2wdi n LYS 27 Ca 0.00 -3.21 -0.35 0.00 -2.02 0.00 0.00 58.31 52.73 2wdi n LYS 27 Cb 0.25 2.76 -0.06 0.00 -0.02 0.00 0.00 35.03 37.95 2wdi n LYS 27 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2wdi s SER 28 N -3.31 6.90 0.57 4.39 1.04 -1.26 0.57 113.70 122.59 2wdi s SER 28 Ca 0.37 1.26 0.27 0.00 0.48 0.00 0.00 55.95 58.33 2wdi s SER 28 Cb 0.01 -2.36 1.51 0.00 0.10 0.00 0.00 66.02 65.28 2wdi s SER 28 CO 0.26 -0.01 2.00 0.25 0.98 0.00 0.00 173.24 176.73 2wdi h LEU 29 N 3.12 0.00 -0.01 2.42 5.85 -1.88 0.46 115.31 125.28 2wdi h LEU 29 Ca -0.48 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 57.98 2wdi h LEU 29 Cb 1.19 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.23 2wdi h LEU 29 CO 0.66 0.00 -1.11 -0.08 -0.34 0.00 0.00 178.44 177.56 2wdi h GLU 30 N 0.00 0.39 0.00 1.25 4.81 -1.92 -3.02 114.58 116.09 2wdi h GLU 30 Ca 0.18 -0.52 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2wdi h GLU 30 Cb 0.87 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2wdi h GLU 30 CO -0.00 1.20 0.00 -1.91 -0.73 0.00 0.00 179.01 177.56 2wdi n GLU 31 N -3.67 0.00 -0.32 1.92 4.07 0.14 -3.09 120.64 119.68 2wdi n GLU 31 Ca -0.09 0.12 0.21 0.00 -0.06 0.00 0.00 57.16 57.35 2wdi n GLU 31 Cb 0.93 -0.99 0.40 0.00 -0.06 0.00 0.00 31.44 31.73 2wdi n GLU 31 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2wdi n ALA 32 N -0.87 0.70 -0.10 4.31 0.00 -0.12 -0.13 120.51 124.29 2wdi n ALA 32 Ca 0.00 1.01 -0.08 0.00 0.00 0.00 0.00 53.44 54.38 2wdi n ALA 32 Cb 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 2wdi n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdi h ARG 33 N 0.00 -0.24 -0.68 0.00 3.08 -1.60 0.19 114.38 115.13 2wdi h ARG 33 Ca 0.68 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.68 2wdi h ARG 33 Cb 1.61 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.69 2wdi h ARG 33 CO -0.84 -0.16 0.16 -0.91 -1.07 0.00 0.00 179.97 177.15 2wdi h ASN 34 N -0.25 1.04 0.00 7.04 -0.26 -0.46 -0.92 115.58 121.76 2wdi h ASN 34 Ca 0.17 -0.22 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 2wdi h ASN 34 Cb 0.52 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.51 2wdi h ASN 34 CO -0.51 1.00 0.00 -0.38 -1.06 0.00 0.00 177.43 176.48 2wdi n ILE 35 N -4.23 0.00 0.16 2.81 5.41 -0.44 -1.95 119.36 121.11 2wdi n ILE 35 Ca 0.05 1.47 0.19 0.00 1.00 0.00 0.00 62.75 65.46 2wdi n ILE 35 Cb 0.26 -2.33 0.74 0.00 -0.71 0.00 0.00 39.64 37.61 2wdi n ILE 35 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2wdi h LEU 36 N 0.00 0.00 -1.19 1.39 3.38 -1.03 0.31 115.31 118.17 2wdi h LEU 36 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2wdi h LEU 36 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2wdi h LEU 36 CO 0.00 0.00 -0.31 -0.09 0.09 0.00 0.00 178.44 178.13 2wdi h ARG 37 N 0.00 0.16 0.00 1.13 9.65 -0.49 -3.25 114.38 121.58 2wdi h ARG 37 Ca 0.14 -0.06 -0.06 0.00 -1.10 0.00 0.00 59.98 58.91 2wdi h ARG 37 Cb 1.03 -0.01 -0.12 0.00 -1.39 0.00 0.00 29.97 29.48 2wdi h ARG 37 CO -0.00 0.46 -0.66 0.66 2.80 0.00 0.00 179.97 183.23 2wdi n TYR 38 N -4.13 0.00 -3.61 2.20 4.01 0.96 -5.00 117.16 111.59 2wdi n TYR 38 Ca -0.01 -1.15 -0.39 0.00 -0.16 0.00 0.00 57.90 56.19 2wdi n TYR 38 Cb 0.39 -0.21 -0.11 0.00 -0.31 0.00 0.00 39.34 39.09 2wdi n TYR 38 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2wdi s THR 39 N -2.17 4.98 -0.96 -0.72 2.01 -0.50 -5.03 115.64 113.25 2wdi s THR 39 Ca 0.36 -0.14 -0.20 0.00 0.31 0.00 0.00 61.69 62.02 2wdi s THR 39 Cb 0.37 -3.47 0.11 0.00 0.01 0.00 0.00 72.50 69.52 2wdi s THR 39 CO -0.10 0.14 1.23 0.21 -0.69 0.00 0.00 174.62 175.41 2wdi s ASN 40 N 1.69 6.59 -0.08 3.53 2.47 -1.26 -4.81 114.94 123.07 2wdi s ASN 40 Ca 0.06 -1.87 -0.30 0.00 0.42 0.00 0.00 52.86 51.17 2wdi s ASN 40 Cb -0.17 -2.45 0.10 0.00 -1.45 0.00 0.00 41.25 37.28 2wdi s ASN 40 CO 0.09 -1.20 0.83 -0.54 -3.72 0.00 0.00 177.10 172.56 2wdi s LYS 41 N 3.39 0.85 0.18 0.43 -0.14 -1.26 -5.06 119.74 118.13 2wdi s LYS 41 Ca 0.37 0.11 -0.09 0.00 -1.36 0.00 0.00 55.97 55.00 2wdi s LYS 41 Cb -0.03 0.40 0.06 0.00 -1.68 0.00 0.00 37.83 36.58 2wdi s LYS 41 CO -0.10 -0.28 1.64 -0.09 -0.76 0.00 0.00 175.35 175.76 2wdi h ARG 42 N 2.65 1.08 -0.37 1.68 2.43 -1.92 -3.26 114.38 116.68 2wdi h ARG 42 Ca -0.23 -0.35 0.03 0.00 -0.81 0.00 0.00 59.98 58.62 2wdi h ARG 42 Cb 1.17 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.58 2wdi h ARG 42 CO 0.35 1.06 -0.26 0.78 -1.51 0.00 0.00 179.97 180.39 2wdi h GLY 43 N 0.98 -1.79 0.00 2.80 0.00 -1.95 -2.87 103.07 100.24 2wdi h GLY 43 Ca 0.17 0.95 0.00 0.00 0.00 0.00 0.00 47.33 48.45 2wdi h GLY 43 CO 0.03 -0.53 0.00 0.00 0.00 0.00 0.00 176.54 176.04 2wdi n ALA 44 N -3.04 0.00 -0.29 3.60 0.00 -1.23 -0.03 120.51 119.52 2wdi n ALA 44 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.37 2wdi n ALA 44 Cb 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.51 2wdi n ALA 44 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2wdi n TYR 45 N -2.14 -0.31 -0.28 0.00 9.36 -1.08 0.22 117.16 122.94 2wdi n TYR 45 Ca 0.00 0.87 -0.04 0.00 3.32 0.00 0.00 57.90 62.05 2wdi n TYR 45 Cb 0.00 -0.54 0.11 0.00 -0.63 0.00 0.00 39.34 38.27 2wdi n TYR 45 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2wdi h PHE 46 N 0.00 1.15 0.00 2.98 0.04 -0.60 0.55 116.94 121.07 2wdi h PHE 46 Ca 0.11 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.82 2wdi h PHE 46 Cb 0.29 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.08 2wdi h PHE 46 CO -0.79 0.84 0.00 0.28 -0.60 0.00 0.00 178.31 178.05 2wdi n VAL 47 N -4.31 0.00 0.00 -0.55 0.31 0.13 -2.37 118.33 111.55 2wdi n VAL 47 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2wdi n VAL 47 Cb 0.15 -0.71 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 2wdi n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdi n ALA 48 N -0.98 0.00 0.00 3.52 0.00 0.16 -3.66 120.51 119.55 2wdi n ALA 48 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2wdi n ALA 48 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 2wdi n ALA 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wdi n LYS 49 N -0.80 0.00 0.22 0.00 4.76 -0.90 0.13 118.16 121.56 2wdi n LYS 49 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 2wdi n LYS 49 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 2wdi n LYS 49 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 2wdi h VAL 50 N 0.00 0.00 -0.33 -0.18 3.04 -1.69 -1.38 116.25 115.70 2wdi h VAL 50 Ca 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 65.75 2wdi h VAL 50 Cb 0.00 0.00 -0.06 0.00 -2.01 0.00 0.00 31.29 29.22 2wdi h VAL 50 CO 0.00 0.00 -0.05 0.25 -1.01 0.00 0.00 177.57 176.76 2wdi h LEU 51 N -0.57 -0.24 -2.46 3.16 7.12 0.94 1.03 115.31 124.28 2wdi h LEU 51 Ca -0.06 0.09 0.02 0.00 0.13 0.00 0.00 57.88 58.07 2wdi h LEU 51 Cb 0.45 0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.76 2wdi h LEU 51 CO 0.08 -0.08 0.13 -0.08 -0.13 0.00 0.00 178.44 178.35 2wdi h GLU 52 N 0.04 0.00 0.03 1.25 4.57 -0.85 0.24 114.58 119.86 2wdi h GLU 52 Ca 0.16 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 58.08 2wdi h GLU 52 Cb 0.24 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 2wdi h GLU 52 CO -0.32 0.00 -1.43 1.03 -1.18 0.00 0.00 179.01 177.11 2wdi h SER 53 N 0.00 0.10 -0.22 1.04 0.87 0.30 -3.28 113.55 112.36 2wdi h SER 53 Ca 0.03 -0.62 0.06 0.00 -1.23 0.00 0.00 61.79 60.04 2wdi h SER 53 Cb 0.28 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 2wdi h SER 53 CO -0.00 1.58 0.49 0.00 -0.53 0.00 0.00 176.83 178.37 2wdi h ALA 54 N -0.36 1.79 0.30 6.23 0.00 0.24 0.13 119.26 127.59 2wdi h ALA 54 Ca -0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2wdi h ALA 54 Cb 1.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2wdi h ALA 54 CO -0.14 -0.60 -0.14 0.00 0.00 0.00 0.00 179.25 178.37 2wdi h ALA 55 N 1.23 -0.45 0.00 0.00 0.00 -0.68 -2.80 119.26 116.55 2wdi h ALA 55 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wdi h ALA 55 Cb 1.08 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2wdi h ALA 55 CO -0.00 -0.42 0.30 0.00 0.00 0.00 0.00 179.25 179.13 2wdi h ALA 56 N -1.25 1.26 0.19 0.00 0.00 -0.89 0.22 119.26 118.79 2wdi h ALA 56 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 2wdi h ALA 56 Cb 0.31 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.11 2wdi h ALA 56 CO 0.07 -0.26 -1.48 -0.91 0.00 0.00 0.00 179.25 176.67 2wdi h ASN 57 N 0.00 0.64 0.00 0.00 -0.26 -1.04 -2.44 115.58 112.49 2wdi h ASN 57 Ca 0.00 -0.75 -0.03 0.00 -0.56 0.00 0.00 56.30 54.96 2wdi h ASN 57 Cb 0.60 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.64 2wdi h ASN 57 CO 0.00 1.60 -0.07 0.00 -1.06 0.00 0.00 177.43 177.90 2wdi h ALA 58 N 0.30 1.65 -3.00 -0.83 0.00 -0.31 -3.03 119.26 114.05 2wdi h ALA 58 Ca -0.24 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2wdi h ALA 58 Cb 2.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.81 2wdi h ALA 58 CO 0.23 0.26 0.00 0.28 0.00 0.00 0.00 179.25 180.02 2wdi n VAL 59 N -4.35 0.00 -0.23 0.00 0.31 -0.89 -1.54 118.33 111.62 2wdi n VAL 59 Ca -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.31 2wdi n VAL 59 Cb 0.21 -0.06 0.05 0.00 -0.91 0.00 0.00 33.84 33.14 2wdi n VAL 59 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2wdi h ASN 60 N 0.00 -0.85 -0.15 4.52 -0.26 -1.60 4.97 115.58 122.21 2wdi h ASN 60 Ca 0.00 0.22 0.00 0.00 -0.56 0.00 0.00 56.30 55.96 2wdi h ASN 60 Cb 0.00 0.49 0.00 0.00 -1.06 0.00 0.00 38.32 37.75 2wdi h ASN 60 CO 0.00 -0.26 0.00 0.59 -1.06 0.00 0.00 177.43 176.70 2wdi n ASN 61 N -5.46 1.54 0.00 5.81 5.03 -1.15 -4.25 115.26 116.79 2wdi n ASN 61 Ca 0.08 -1.68 0.00 0.00 0.87 0.00 0.00 54.58 53.84 2wdi n ASN 61 Cb 0.36 -0.09 0.00 0.00 -1.02 0.00 0.00 39.78 39.03 2wdi n ASN 61 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2wdi n HIS 62 N 0.24 0.00 -2.54 3.10 8.25 -0.42 -5.00 115.22 118.85 2wdi n HIS 62 Ca 0.16 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.40 2wdi n HIS 62 Cb 0.31 0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.46 2wdi n HIS 62 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2wdi n ASP 63 N 0.00 -3.14 -0.46 0.41 5.75 1.61 -4.85 116.55 115.87 2wdi n ASP 63 Ca 0.00 -0.14 0.06 0.00 -0.01 0.00 0.00 54.79 54.70 2wdi n ASP 63 Cb 0.14 -0.93 0.04 0.00 -1.03 0.00 0.00 41.12 39.35 2wdi n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2wdi n MET 64 N -0.26 1.10 -1.77 0.11 2.81 -0.59 -4.96 117.12 113.56 2wdi n MET 64 Ca -0.07 -1.13 -0.02 0.00 -1.81 0.00 0.00 57.70 54.68 2wdi n MET 64 Cb 0.40 -1.23 -0.01 0.00 -0.71 0.00 0.00 33.22 31.67 2wdi n MET 64 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2wdi n LEU 65 N 0.50 -3.16 -0.32 4.03 0.00 -1.26 -4.64 117.00 112.15 2wdi n LEU 65 Ca 0.07 0.66 0.19 0.00 0.00 0.00 0.00 56.01 56.93 2wdi n LEU 65 Cb 0.31 -1.64 0.39 0.00 0.00 0.00 0.00 43.42 42.48 2wdi n LEU 65 CO 0.10 -1.12 1.04 -0.08 0.00 0.00 0.00 177.39 177.33 2wdi h GLU 66 N 1.15 0.27 -0.55 1.96 4.81 -1.96 -2.12 114.58 118.14 2wdi h GLU 66 Ca -0.15 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 2wdi h GLU 66 Cb 0.34 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2wdi h GLU 66 CO 0.00 0.18 0.01 -0.44 -0.73 0.00 0.00 179.01 178.04 2wdi h ASP 67 N 0.28 0.91 -0.24 1.04 3.32 -2.02 -2.97 116.42 116.75 2wdi h ASP 67 Ca 0.65 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 57.34 2wdi h ASP 67 Cb 1.41 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 40.64 2wdi h ASP 67 CO -0.63 0.96 0.16 0.54 -1.72 0.00 0.00 179.24 178.55 2wdi n ARG 68 N -4.20 1.30 -2.85 3.56 5.12 -0.80 -4.91 116.66 113.88 2wdi n ARG 68 Ca 0.03 -0.71 -0.19 0.00 -1.93 0.00 0.00 57.85 55.05 2wdi n ARG 68 Cb 0.32 -1.28 0.02 0.00 -1.16 0.00 0.00 32.46 30.36 2wdi n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2wdi s LEU 69 N -0.78 3.48 0.00 0.55 1.43 -1.12 0.22 118.68 122.45 2wdi s LEU 69 Ca 0.14 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 2wdi s LEU 69 Cb 0.11 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.62 2wdi s LEU 69 CO 0.03 -0.94 0.00 0.00 0.23 0.00 0.00 176.35 175.66 2wdi n TYR 70 N -2.07 0.00 -2.81 0.29 -0.00 -1.07 -3.81 117.16 107.70 2wdi n TYR 70 Ca 0.08 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.55 2wdi n TYR 70 Cb 0.59 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.91 2wdi n TYR 70 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2wdi s VAL 71 N -2.00 4.50 0.19 -3.48 1.01 0.19 -0.67 120.40 120.14 2wdi s VAL 71 Ca 0.00 -1.50 -0.15 0.00 0.00 0.00 0.00 61.98 60.33 2wdi s VAL 71 Cb 0.00 -4.90 0.16 0.00 0.00 0.00 0.00 36.38 31.64 2wdi s VAL 71 CO 0.00 -1.67 1.65 0.50 0.00 0.00 0.00 175.10 175.58 2wdi h LYS 72 N 8.82 0.02 -2.15 2.72 1.63 -1.65 -2.21 116.57 123.74 2wdi h LYS 72 Ca 0.21 -0.00 0.10 0.00 -0.85 0.00 0.00 60.65 60.11 2wdi h LYS 72 Cb 0.99 -0.00 -0.17 0.00 -0.60 0.00 0.00 32.23 32.45 2wdi h LYS 72 CO 1.24 0.01 0.49 0.00 -3.45 0.00 0.00 179.45 177.74 2wdi s ALA 73 N -6.22 -1.84 0.02 5.00 0.00 -0.88 -4.68 121.76 113.17 2wdi s ALA 73 Ca -0.14 1.12 -0.25 0.00 0.00 0.00 0.00 51.96 52.69 2wdi s ALA 73 Cb 0.17 0.22 0.06 0.00 0.00 0.00 0.00 23.12 23.56 2wdi s ALA 73 CO 0.72 -0.62 0.56 0.00 0.00 0.00 0.00 175.76 176.43 2wdi s ALA 74 N -2.73 -1.45 0.13 0.00 0.00 -1.26 -1.22 121.76 115.23 2wdi s ALA 74 Ca 0.03 0.79 -0.25 0.00 0.00 0.00 0.00 51.96 52.53 2wdi s ALA 74 Cb -0.01 0.29 0.07 0.00 0.00 0.00 0.00 23.12 23.47 2wdi s ALA 74 CO -0.07 -0.47 0.87 1.52 0.00 0.00 0.00 175.76 177.61 2wdi s TYR 75 N -2.11 -0.24 -0.05 0.00 1.13 -1.13 -4.99 117.35 109.97 2wdi s TYR 75 Ca -0.07 -0.04 -0.01 0.00 -1.41 0.00 0.00 57.07 55.54 2wdi s TYR 75 Cb -0.01 0.62 0.03 0.00 -1.10 0.00 0.00 41.96 41.50 2wdi s TYR 75 CO 0.01 -0.82 0.03 0.54 -2.51 0.00 0.00 175.55 172.79 2wdi s VAL 76 N -3.39 0.12 0.09 -3.49 0.11 -1.26 -2.29 120.40 110.29 2wdi s VAL 76 Ca 0.09 0.24 0.04 0.00 -2.93 0.00 0.00 61.98 59.41 2wdi s VAL 76 Cb -0.02 -0.30 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 2wdi s VAL 76 CO -0.01 0.19 0.08 -1.81 -3.33 0.00 0.00 175.10 170.22 2wdi s ASP 77 N 1.78 5.46 0.04 3.54 1.01 -0.59 -4.90 116.67 123.01 2wdi s ASP 77 Ca 0.01 -0.05 -0.24 0.00 0.71 0.00 0.00 52.55 52.98 2wdi s ASP 77 Cb -0.12 -1.44 -0.06 0.00 1.01 0.00 0.00 42.92 42.31 2wdi s ASP 77 CO -0.03 0.16 0.73 -0.70 0.21 0.00 0.00 175.17 175.53 2wdi s GLU 78 N -2.48 4.46 0.47 8.23 2.12 -1.26 0.11 118.70 130.34 2wdi s GLU 78 Ca 0.29 0.99 0.07 0.00 0.36 0.00 0.00 54.97 56.68 2wdi s GLU 78 Cb -0.12 -3.35 0.03 0.00 0.26 0.00 0.00 34.13 30.95 2wdi s GLU 78 CO 0.22 0.33 0.65 0.20 -0.54 0.00 0.00 175.26 176.12 2wdi s GLY 79 N -0.19 1.89 0.25 -1.50 0.00 0.67 -4.86 107.32 103.58 2wdi s GLY 79 Ca 0.36 -1.68 -0.30 0.00 0.00 0.00 0.00 44.72 43.10 2wdi s GLY 79 CO 0.22 -1.43 1.23 -1.55 0.00 0.00 0.00 173.10 171.56 2wdi n PRO 80 N -2.02 1.66 -2.98 2.90 -0.04 -1.26 -4.25 135.00 129.01 2wdi n PRO 80 Ca 0.09 0.59 -0.34 0.00 -0.04 0.00 0.00 63.50 63.80 2wdi n PRO 80 Cb 0.60 -2.12 -0.06 0.00 -0.04 0.00 0.00 33.50 31.87 2wdi n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wdi s ALA 81 N -0.49 3.25 -0.72 0.55 0.00 -1.26 -4.43 121.76 118.65 2wdi s ALA 81 Ca 0.65 0.26 -0.17 0.00 0.00 0.00 0.00 51.96 52.70 2wdi s ALA 81 Cb -0.70 -2.96 0.15 0.00 0.00 0.00 0.00 23.12 19.61 2wdi s ALA 81 CO 0.55 0.25 0.76 -0.51 0.00 0.00 0.00 175.76 176.81 2wdi s LEU 82 N -2.63 5.94 0.11 0.00 1.43 -0.40 -5.00 118.68 118.13 2wdi s LEU 82 Ca 0.53 -2.03 -0.30 0.00 -1.03 0.00 0.00 54.13 51.30 2wdi s LEU 82 Cb -0.13 -2.27 -0.07 0.00 0.03 0.00 0.00 46.19 43.75 2wdi s LEU 82 CO 0.18 -0.88 1.23 -0.54 0.23 0.00 0.00 176.35 176.57 2wdi s LYS 83 N 1.64 4.43 0.28 1.70 1.02 -1.26 -1.80 119.74 125.75 2wdi s LYS 83 Ca 0.16 1.85 0.04 0.00 0.02 0.00 0.00 55.97 58.04 2wdi s LYS 83 Cb -0.17 -3.30 -0.06 0.00 -0.52 0.00 0.00 37.83 33.78 2wdi s LYS 83 CO -0.02 -0.23 0.00 1.03 -0.92 0.00 0.00 175.35 175.21 2wdi s ARG 84 N 0.65 1.51 -0.09 1.68 1.81 -0.41 -4.96 118.95 119.14 2wdi s ARG 84 Ca 0.58 -1.79 -0.00 0.00 -1.72 0.00 0.00 55.73 52.79 2wdi s ARG 84 Cb -0.32 -0.85 -0.03 0.00 -0.45 0.00 0.00 34.95 33.31 2wdi s ARG 84 CO 0.32 -0.09 -0.06 0.08 -0.68 0.00 0.00 175.30 174.86 2wdi s VAL 85 N -3.27 3.77 -0.19 3.52 1.01 -1.26 -1.55 120.40 122.43 2wdi s VAL 85 Ca 0.32 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2wdi s VAL 85 Cb 0.06 -2.57 0.03 0.00 0.00 0.00 0.00 36.38 33.90 2wdi s VAL 85 CO 0.12 0.57 -0.17 -0.22 0.00 0.00 0.00 175.10 175.40 2wdi s LEU 86 N -0.52 2.24 0.24 3.92 2.96 0.32 -4.85 118.68 122.99 2wdi s LEU 86 Ca 0.08 -0.74 -0.21 0.00 -0.22 0.00 0.00 54.13 53.04 2wdi s LEU 86 Cb -0.12 -1.43 -0.09 0.00 0.50 0.00 0.00 46.19 45.06 2wdi s LEU 86 CO 0.02 -0.04 0.77 -2.16 -1.32 0.00 0.00 176.35 173.62 2wdi s PRO 87 N 1.30 4.35 0.42 0.98 0.04 -1.26 0.62 135.00 141.44 2wdi s PRO 87 Ca 0.03 0.99 0.04 0.00 0.04 0.00 0.00 61.00 62.10 2wdi s PRO 87 Cb -0.14 -2.90 -0.05 0.00 0.04 0.00 0.00 34.50 31.44 2wdi s PRO 87 CO -0.11 0.39 0.03 1.03 0.04 0.00 0.00 177.00 178.38 2wdi s ARG 88 N -1.90 1.94 0.93 4.56 1.81 -1.26 -4.77 118.95 120.26 2wdi s ARG 88 Ca 0.44 -2.15 -0.15 0.00 -1.72 0.00 0.00 55.73 52.15 2wdi s ARG 88 Cb -0.18 -1.32 -0.04 0.00 -0.45 0.00 0.00 34.95 32.96 2wdi s ARG 88 CO 0.22 -0.21 -0.02 0.00 -0.68 0.00 0.00 175.30 174.62 2wdi n ALA 89 N -0.97 -3.52 -3.00 2.13 0.00 -1.26 -2.47 120.51 111.42 2wdi n ALA 89 Ca -0.08 -0.59 -0.17 0.00 0.00 0.00 0.00 53.44 52.61 2wdi n ALA 89 Cb 0.67 -1.56 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 2wdi n ALA 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdi n ARG 90 N -0.06 -2.82 -1.44 0.00 1.74 -1.26 -1.46 116.66 111.36 2wdi n ARG 90 Ca 0.04 0.40 -0.13 0.00 -0.77 0.00 0.00 57.85 57.39 2wdi n ARG 90 Cb 0.54 -5.03 -0.05 0.00 -1.02 0.00 0.00 32.46 26.90 2wdi n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdi n GLY 91 N -0.93 1.29 0.00 -0.13 0.00 -1.09 -4.98 105.19 99.35 2wdi n GLY 91 Ca -0.04 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2wdi n GLY 91 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wdi n ARG 92 N -2.60 0.00 -1.39 1.61 0.63 -0.54 -4.87 116.66 109.51 2wdi n ARG 92 Ca -0.13 0.37 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 2wdi n ARG 92 Cb 0.44 -1.17 0.00 0.00 0.45 0.00 0.00 32.46 32.18 2wdi n ARG 92 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdi n ALA 93 N -1.28 -2.79 -2.57 5.13 0.00 -1.26 -4.81 120.51 112.93 2wdi n ALA 93 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 2wdi n ALA 93 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2wdi n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wdi s ASP 94 N 0.00 5.44 -0.41 0.00 -0.00 0.20 -4.90 116.67 117.00 2wdi s ASP 94 Ca 0.00 -0.40 -0.06 0.00 -0.00 0.00 0.00 52.55 52.10 2wdi s ASP 94 Cb 0.00 -1.11 0.10 0.00 -0.00 0.00 0.00 42.92 41.90 2wdi s ASP 94 CO 0.00 -0.29 0.22 0.27 -0.00 0.00 0.00 175.17 175.37 2wdi s ILE 95 N -2.25 3.71 0.70 0.77 -4.36 -1.26 0.12 121.20 118.62 2wdi s ILE 95 Ca 0.40 -1.74 -0.14 0.00 -0.26 0.00 0.00 60.65 58.91 2wdi s ILE 95 Cb -0.07 -3.39 0.02 0.00 1.25 0.00 0.00 42.46 40.27 2wdi s ILE 95 CO 0.27 -0.59 1.13 -0.51 0.24 0.00 0.00 174.94 175.48 2wdi s ILE 96 N 1.28 3.03 -0.57 8.37 1.10 -0.60 -4.82 121.20 129.00 2wdi s ILE 96 Ca 0.05 0.46 0.06 0.00 -0.51 0.00 0.00 60.65 60.71 2wdi s ILE 96 Cb -0.23 -2.96 0.28 0.00 0.15 0.00 0.00 42.46 39.70 2wdi s ILE 96 CO -0.01 -0.31 0.77 0.29 -2.11 0.00 0.00 174.94 173.56 2wdi n LYS 97 N -2.67 2.35 -1.52 3.50 5.02 -1.26 -1.28 118.16 122.30 2wdi n LYS 97 Ca 0.11 -4.43 -0.31 0.00 -2.02 0.00 0.00 58.31 51.66 2wdi n LYS 97 Cb 0.52 -2.06 -0.14 0.00 -0.02 0.00 0.00 35.03 33.32 2wdi n LYS 97 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wdi n LYS 98 N 0.58 0.24 -1.42 1.97 4.76 -0.74 -4.65 118.16 118.90 2wdi n LYS 98 Ca 0.29 -0.10 -0.29 0.00 -2.87 0.00 0.00 58.31 55.33 2wdi n LYS 98 Cb 0.44 -1.94 0.14 0.00 -1.84 0.00 0.00 35.03 31.83 2wdi n LYS 98 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2wdi s ARG 99 N 8.28 1.07 0.02 1.97 0.52 -1.26 -1.28 118.95 128.26 2wdi s ARG 99 Ca 1.23 0.42 0.01 0.00 -0.52 0.00 0.00 55.73 56.87 2wdi s ARG 99 Cb -0.82 -1.82 -0.01 0.00 0.52 0.00 0.00 34.95 32.81 2wdi s ARG 99 CO 0.43 -2.28 -0.04 -0.08 0.02 0.00 0.00 175.30 173.35 2wdi s THR 100 N -3.16 0.24 0.27 0.02 -1.32 -1.26 -3.37 115.64 107.06 2wdi s THR 100 Ca 0.64 -0.65 0.09 0.00 -1.21 0.00 0.00 61.69 60.56 2wdi s THR 100 Cb -0.16 -0.31 -0.04 0.00 -1.51 0.00 0.00 72.50 70.48 2wdi s THR 100 CO 0.55 -0.26 0.02 -0.44 -2.21 0.00 0.00 174.62 172.28 2wdi s SER 101 N -0.96 4.65 -0.48 8.08 0.01 -1.04 -0.24 113.70 123.72 2wdi s SER 101 Ca -0.08 -0.61 0.03 0.00 1.31 0.00 0.00 55.95 56.59 2wdi s SER 101 Cb -0.07 -0.90 0.14 0.00 0.21 0.00 0.00 66.02 65.41 2wdi s SER 101 CO -0.00 -0.02 0.27 -1.00 0.41 0.00 0.00 173.24 172.90 2wdi s HIS 102 N -2.31 2.30 -0.35 2.43 3.76 0.29 -0.35 115.29 121.06 2wdi s HIS 102 Ca 0.32 -2.65 -0.27 0.00 -0.15 0.00 0.00 55.06 52.31 2wdi s HIS 102 Cb -0.06 -2.08 0.02 0.00 1.11 0.00 0.00 32.58 31.56 2wdi s HIS 102 CO 0.21 -0.75 1.00 0.42 -0.85 0.00 0.00 174.74 174.76 2wdi s ILE 103 N 0.04 4.53 -0.21 0.60 1.01 -0.83 -1.54 121.20 124.80 2wdi s ILE 103 Ca 0.19 1.42 -0.04 0.00 0.00 0.00 0.00 60.65 62.22 2wdi s ILE 103 Cb -0.21 -4.38 -0.01 0.00 0.01 0.00 0.00 42.46 37.87 2wdi s ILE 103 CO -0.03 -0.54 -0.05 -0.89 0.00 0.00 0.00 174.94 173.44 2wdi s THR 104 N 3.60 3.39 -0.15 2.92 2.01 -0.97 -0.29 115.64 126.14 2wdi s THR 104 Ca 0.42 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.94 2wdi s THR 104 Cb -0.12 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 69.87 2wdi s THR 104 CO 0.18 0.43 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.67 2wdi s VAL 105 N 1.34 2.31 -0.29 3.82 1.01 -1.26 -2.81 120.40 124.51 2wdi s VAL 105 Ca 0.04 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.16 2wdi s VAL 105 Cb -0.14 -1.95 0.08 0.00 0.00 0.00 0.00 36.38 34.36 2wdi s VAL 105 CO -0.02 0.53 -0.00 0.27 0.00 0.00 0.00 175.10 175.88 2wdi s ILE 106 N 0.92 1.89 0.62 2.22 -4.36 -0.36 -1.70 121.20 120.44 2wdi s ILE 106 Ca -0.04 -1.81 -0.15 0.00 -0.26 0.00 0.00 60.65 58.40 2wdi s ILE 106 Cb -0.15 -2.26 -0.02 0.00 1.25 0.00 0.00 42.46 41.28 2wdi s ILE 106 CO -0.03 -0.37 1.06 -0.76 0.24 0.00 0.00 174.94 175.08 2wdi s LEU 107 N 1.15 3.41 0.27 0.37 1.02 0.11 -1.93 118.68 123.10 2wdi s LEU 107 Ca 0.03 1.80 0.03 0.00 0.02 0.00 0.00 54.13 56.00 2wdi s LEU 107 Cb -0.19 -4.53 -0.04 0.00 0.02 0.00 0.00 46.19 41.46 2wdi s LEU 107 CO -0.09 -1.27 0.17 -0.83 0.02 0.00 0.00 176.35 174.34 2wdi s GLY 108 N -2.96 1.89 0.56 -3.19 0.00 0.15 -1.48 107.32 102.30 2wdi s GLY 108 Ca 0.63 -1.81 -0.08 0.00 0.00 0.00 0.00 44.72 43.46 2wdi s GLY 108 CO 0.41 -1.50 0.90 -0.54 0.00 0.00 0.00 173.10 172.37 2wdi s GLU 109 N -3.87 3.38 0.00 2.90 0.41 -1.26 -2.60 118.70 117.66 2wdi s GLU 109 Ca 0.38 0.34 0.00 0.00 -0.41 0.00 0.00 54.97 55.28 2wdi s GLU 109 Cb 0.05 -2.24 0.00 0.00 -1.78 0.00 0.00 34.13 30.16 2wdi s GLU 109 CO 0.18 -0.48 0.27 1.17 -0.49 0.00 0.00 175.26 175.90 2wdi n LYS 110 N -2.53 0.00 0.00 1.61 3.00 0.59 -4.79 118.16 116.05 2wdi n LYS 110 Ca 0.03 0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 2wdi n LYS 110 Cb 0.55 -0.85 0.00 0.00 0.00 0.00 0.00 35.03 34.74 2wdi n LYS 110 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 2wdi n HIS 111 N -0.90 0.00 0.00 5.64 1.44 -1.26 -5.08 115.22 115.06 2wdi n HIS 111 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2wdi n HIS 111 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2wdi n HIS 111 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2wdi n GLY 112 N -0.44 0.41 0.00 -1.39 0.00 -1.26 -5.24 105.19 97.27 2wdi n GLY 112 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2wdi n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60