#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wsy n GLU 2 N 0.00 0.08 -0.09 2.12 0.00 -1.26 -2.09 120.64 119.39 2wsy n GLU 2 Ca 0.00 0.44 -0.10 0.00 0.00 0.00 0.00 57.16 57.49 2wsy n GLU 2 Cb 0.00 -1.69 -0.03 0.00 0.00 0.00 0.00 31.44 29.72 2wsy n GLU 2 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2wsy h ARG 3 N 0.00 0.44 -0.12 3.44 2.43 -1.97 -1.64 114.38 116.96 2wsy h ARG 3 Ca 0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2wsy h ARG 3 Cb 0.16 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2wsy h ARG 3 CO 0.00 0.53 0.08 1.88 -1.51 0.00 0.00 179.97 180.94 2wsy h TYR 4 N 0.28 0.16 -0.55 2.20 0.05 -1.77 -1.29 116.97 116.04 2wsy h TYR 4 Ca 0.09 0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.96 2wsy h TYR 4 Cb 0.28 -0.05 -0.11 0.00 1.01 0.00 0.00 36.73 37.86 2wsy h TYR 4 CO 0.01 0.12 -0.39 0.93 -1.05 0.00 0.00 178.16 177.78 2wsy h GLU 5 N 0.15 -0.21 -0.36 4.88 5.08 -1.54 0.11 114.58 122.68 2wsy h GLU 5 Ca 0.04 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2wsy h GLU 5 Cb 0.01 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 2wsy h GLU 5 CO -0.01 -0.14 -0.08 -0.91 -1.00 0.00 0.00 179.01 176.87 2wsy h ASN 6 N -0.22 -0.31 -0.82 1.42 -0.26 -0.87 -1.91 115.58 112.62 2wsy h ASN 6 Ca 0.19 0.11 0.07 0.00 -0.56 0.00 0.00 56.30 56.11 2wsy h ASN 6 Cb 0.56 0.22 -0.06 0.00 -1.06 0.00 0.00 38.32 37.97 2wsy h ASN 6 CO -0.66 -0.11 0.49 0.25 -1.06 0.00 0.00 177.43 176.33 2wsy h LEU 7 N 0.01 0.73 0.00 1.61 5.85 0.27 0.88 115.31 124.67 2wsy h LEU 7 Ca 0.18 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2wsy h LEU 7 Cb 0.27 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2wsy h LEU 7 CO -0.37 0.45 0.00 0.49 -0.34 0.00 0.00 178.44 178.68 2wsy n PHE 8 N -4.69 0.00 -0.05 1.25 3.72 0.15 -1.62 117.46 116.22 2wsy n PHE 8 Ca 0.12 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.49 2wsy n PHE 8 Cb 0.21 -0.09 -0.01 0.00 -0.94 0.00 0.00 39.48 38.65 2wsy n PHE 8 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wsy n ALA 9 N -1.09 0.31 0.26 4.37 0.00 0.26 -3.46 120.51 121.15 2wsy n ALA 9 Ca 0.17 -0.33 0.09 0.00 0.00 0.00 0.00 53.44 53.37 2wsy n ALA 9 Cb 0.12 0.01 0.66 0.00 0.00 0.00 0.00 19.45 20.24 2wsy n ALA 9 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2wsy h GLN 10 N -0.65 0.00 -0.39 0.00 7.50 -1.49 -0.71 115.11 119.36 2wsy h GLN 10 Ca 0.00 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.06 2wsy h GLN 10 Cb 0.35 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.86 2wsy h GLN 10 CO 0.00 0.08 -0.13 1.25 -1.50 0.00 0.00 178.83 178.53 2wsy h LEU 11 N 0.00 0.69 0.13 1.46 5.85 -1.49 -3.01 115.31 118.94 2wsy h LEU 11 Ca -0.00 -0.21 -0.30 0.00 0.84 0.00 0.00 57.88 58.21 2wsy h LEU 11 Cb 0.15 -0.19 0.03 0.00 0.37 0.00 0.00 40.66 41.02 2wsy h LEU 11 CO 0.01 0.84 -1.28 -0.55 -0.34 0.00 0.00 178.44 177.12 2wsy h ASN 12 N 0.63 0.80 0.00 1.25 7.08 -1.28 -2.27 115.58 121.79 2wsy h ASN 12 Ca 0.11 -0.77 0.00 0.00 -3.08 0.00 0.00 56.30 52.56 2wsy h ASN 12 Cb 0.59 -0.25 0.00 0.00 -2.08 0.00 0.00 38.32 36.57 2wsy h ASN 12 CO 0.04 1.58 0.00 0.47 -2.08 0.00 0.00 177.43 177.44 2wsy n ASP 13 N -3.74 0.00 -0.06 6.14 8.00 -0.39 0.70 116.55 127.20 2wsy n ASP 13 Ca -0.13 -0.27 0.01 0.00 0.71 0.00 0.00 54.79 55.10 2wsy n ASP 13 Cb 1.01 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 42.12 2wsy n ASP 13 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2wsy n ARG 14 N -0.75 0.94 -3.99 -1.24 1.74 -1.15 -5.03 116.66 107.19 2wsy n ARG 14 Ca 0.02 -0.98 -0.34 0.00 -0.77 0.00 0.00 57.85 55.79 2wsy n ARG 14 Cb 0.01 -0.71 -0.01 0.00 -1.02 0.00 0.00 32.46 30.73 2wsy n ARG 14 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wsy n ARG 15 N -0.24 -0.55 -3.91 5.56 1.74 0.22 -4.48 116.66 115.00 2wsy n ARG 15 Ca 0.01 -0.03 -0.10 0.00 -0.77 0.00 0.00 57.85 56.96 2wsy n ARG 15 Cb 0.46 -2.06 -0.11 0.00 -1.02 0.00 0.00 32.46 29.73 2wsy n ARG 15 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2wsy s GLU 16 N -6.83 0.28 0.66 5.56 -1.05 -0.87 -1.22 118.70 115.25 2wsy s GLU 16 Ca 0.27 -0.35 -0.11 0.00 -0.15 0.00 0.00 54.97 54.63 2wsy s GLU 16 Cb -0.15 0.11 -0.01 0.00 -0.44 0.00 0.00 34.13 33.64 2wsy s GLU 16 CO 0.78 -0.05 1.06 0.20 0.95 0.00 0.00 175.26 178.19 2wsy s GLY 17 N -0.99 1.63 0.10 -3.83 0.00 -0.72 -4.49 107.32 99.01 2wsy s GLY 17 Ca -0.11 -0.27 -0.12 0.00 0.00 0.00 0.00 44.72 44.21 2wsy s GLY 17 CO -0.00 0.05 0.47 0.00 0.00 0.00 0.00 173.10 173.62 2wsy s ALA 18 N -3.26 3.66 -0.39 3.20 0.00 -0.49 -4.66 121.76 119.82 2wsy s ALA 18 Ca 0.57 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.30 2wsy s ALA 18 Cb -0.11 -2.40 0.11 0.00 0.00 0.00 0.00 23.12 20.73 2wsy s ALA 18 CO 0.52 0.51 0.14 0.12 0.00 0.00 0.00 175.76 177.05 2wsy s PHE 19 N -1.38 2.91 -0.41 0.00 5.36 -1.26 -0.03 117.98 123.17 2wsy s PHE 19 Ca 0.34 -2.69 -0.16 0.00 -0.96 0.00 0.00 56.93 53.46 2wsy s PHE 19 Cb -0.15 -2.48 0.02 0.00 -0.34 0.00 0.00 43.02 40.07 2wsy s PHE 19 CO 0.18 -0.86 0.36 0.08 -1.46 0.00 0.00 175.22 173.52 2wsy s VAL 20 N 0.67 5.18 -0.05 3.12 1.01 -0.40 -3.26 120.40 126.67 2wsy s VAL 20 Ca 0.13 -0.46 -0.22 0.00 0.00 0.00 0.00 61.98 61.43 2wsy s VAL 20 Cb -0.21 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2wsy s VAL 20 CO -0.08 -0.33 0.64 -2.16 0.00 0.00 0.00 175.10 173.17 2wsy s PRO 21 N 1.90 4.40 0.28 2.72 0.04 -1.26 -1.87 135.00 141.20 2wsy s PRO 21 Ca 0.08 0.79 -0.03 0.00 0.04 0.00 0.00 61.00 61.89 2wsy s PRO 21 Cb -0.18 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.90 2wsy s PRO 21 CO 0.12 0.18 0.51 0.12 0.04 0.00 0.00 177.00 177.96 2wsy s PHE 22 N 0.45 3.48 -0.13 0.56 2.19 -0.90 -3.07 117.98 120.56 2wsy s PHE 22 Ca 0.34 0.50 -0.30 0.00 0.33 0.00 0.00 56.93 57.80 2wsy s PHE 22 Cb -0.18 -1.99 0.12 0.00 -1.31 0.00 0.00 43.02 39.66 2wsy s PHE 22 CO 0.17 0.22 0.95 0.08 1.83 0.00 0.00 175.22 178.47 2wsy s VAL 23 N -2.08 0.00 0.09 3.12 1.01 -0.14 -4.51 120.40 117.89 2wsy s VAL 23 Ca 0.42 0.00 -0.28 0.00 0.00 0.00 0.00 61.98 62.12 2wsy s VAL 23 Cb -0.11 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.22 2wsy s VAL 23 CO 0.31 0.00 0.88 -0.89 0.00 0.00 0.00 175.10 175.41 2wsy s THR 24 N -1.45 4.59 -0.03 3.92 2.01 -1.26 -1.79 115.64 121.62 2wsy s THR 24 Ca -0.01 1.90 -0.30 0.00 0.31 0.00 0.00 61.69 63.59 2wsy s THR 24 Cb -0.00 -4.24 -0.06 0.00 0.01 0.00 0.00 72.50 68.20 2wsy s THR 24 CO 0.01 0.34 1.68 -0.22 -0.69 0.00 0.00 174.62 175.73 2wsy s LEU 25 N -0.03 4.34 -1.29 4.42 2.96 0.56 -2.28 118.68 127.35 2wsy s LEU 25 Ca 0.44 2.30 0.00 0.00 -0.22 0.00 0.00 54.13 56.65 2wsy s LEU 25 Cb -0.22 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.93 2wsy s LEU 25 CO 0.27 -0.93 0.00 0.61 -1.32 0.00 0.00 176.35 174.98 2wsy n GLY 26 N 4.15 -0.23 0.00 7.98 0.00 -1.26 -4.71 105.19 111.11 2wsy n GLY 26 Ca 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2wsy n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wsy n ASP 27 N -0.88 0.00 -0.29 1.61 -0.08 -0.97 -2.37 116.55 113.58 2wsy n ASP 27 Ca -0.18 0.61 0.12 0.00 -1.51 0.00 0.00 54.79 53.83 2wsy n ASP 27 Cb 0.63 -0.11 0.28 0.00 2.34 0.00 0.00 41.12 44.26 2wsy n ASP 27 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2wsy h PRO 28 N 0.00 0.26 0.00 -0.67 0.11 -1.89 -2.17 132.00 127.64 2wsy h PRO 28 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2wsy h PRO 28 Cb 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.05 2wsy h PRO 28 CO 0.00 0.17 0.00 0.41 -0.21 0.00 0.00 178.00 178.37 2wsy n GLY 29 N -1.36 -2.19 1.38 -0.55 0.00 -1.00 -4.75 105.19 96.71 2wsy n GLY 29 Ca 0.20 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.93 2wsy n GLY 29 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2wsy n ILE 30 N -1.30 0.00 -0.08 -0.61 0.13 -1.26 -4.61 119.36 111.62 2wsy n ILE 30 Ca 0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 62.75 61.60 2wsy n ILE 30 Cb 0.00 0.00 0.14 0.00 -0.84 0.00 0.00 39.64 38.94 2wsy n ILE 30 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 2wsy h GLU 31 N 0.00 0.74 -0.06 9.51 4.39 -1.98 -0.50 114.58 126.69 2wsy h GLU 31 Ca 0.00 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.46 2wsy h GLU 31 Cb 0.00 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2wsy h GLU 31 CO 0.00 0.83 0.02 0.37 -1.16 0.00 0.00 179.01 179.07 2wsy h GLN 32 N 0.67 0.09 -0.86 2.33 -0.00 -1.96 -2.05 115.11 113.33 2wsy h GLN 32 Ca 0.12 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.75 2wsy h GLN 32 Cb 0.57 -0.01 -0.04 0.00 0.00 0.00 0.00 27.48 28.00 2wsy h GLN 32 CO 0.04 0.22 0.54 1.03 0.00 0.00 0.00 178.83 180.66 2wsy h SER 33 N -0.07 1.01 -0.00 -0.69 0.87 -1.87 0.42 113.55 113.21 2wsy h SER 33 Ca 0.02 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2wsy h SER 33 Cb 0.17 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2wsy h SER 33 CO -0.00 0.75 0.01 -0.07 -0.53 0.00 0.00 176.83 176.99 2wsy h LEU 34 N 1.17 0.00 0.00 2.23 3.38 -0.82 -1.58 115.31 119.69 2wsy h LEU 34 Ca 0.31 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.06 2wsy h LEU 34 Cb -0.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2wsy h LEU 34 CO -0.06 0.00 -1.26 0.29 0.09 0.00 0.00 178.44 177.50 2wsy n LYS 35 N -3.22 0.56 -0.26 1.13 5.02 0.56 -3.42 118.16 118.53 2wsy n LYS 35 Ca -0.03 0.56 0.07 0.00 -2.02 0.00 0.00 58.31 56.89 2wsy n LYS 35 Cb 0.08 -1.73 0.19 0.00 -0.02 0.00 0.00 35.03 33.55 2wsy n LYS 35 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2wsy h ILE 36 N -1.00 0.39 -0.47 -0.18 2.04 0.17 0.36 117.51 118.81 2wsy h ILE 36 Ca -0.34 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 2wsy h ILE 36 Cb 1.26 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 2wsy h ILE 36 CO -0.21 0.03 0.21 0.40 0.00 0.00 0.00 178.15 178.59 2wsy h ILE 37 N 0.17 1.19 -0.25 -0.67 2.04 -1.48 0.44 117.51 118.95 2wsy h ILE 37 Ca 0.44 -0.57 0.06 0.00 1.00 0.00 0.00 64.86 65.78 2wsy h ILE 37 Cb 0.80 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 2wsy h ILE 37 CO -0.62 0.22 -0.11 0.44 0.00 0.00 0.00 178.15 178.08 2wsy h ASP 38 N 0.61 -0.37 0.59 1.72 3.32 -0.46 0.88 116.42 122.72 2wsy h ASP 38 Ca 0.16 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 2wsy h ASP 38 Cb 0.15 0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.91 2wsy h ASP 38 CO -0.02 -0.14 -0.28 0.74 -1.72 0.00 0.00 179.24 177.82 2wsy h THR 39 N -0.07 0.36 -0.92 0.35 2.02 -0.38 -2.09 112.91 112.19 2wsy h THR 39 Ca 0.13 -0.20 0.26 0.00 0.77 0.00 0.00 66.41 67.38 2wsy h THR 39 Cb 0.27 0.44 -0.15 0.00 -1.74 0.00 0.00 68.15 66.96 2wsy h THR 39 CO -0.30 0.03 0.23 -0.07 0.37 0.00 0.00 175.52 175.78 2wsy h LEU 40 N -0.93 -0.05 0.74 2.58 3.38 0.16 0.80 115.31 121.99 2wsy h LEU 40 Ca -0.08 0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2wsy h LEU 40 Cb 0.65 0.31 0.01 0.00 0.09 0.00 0.00 40.66 41.72 2wsy h LEU 40 CO 0.13 -0.23 -0.36 0.40 0.09 0.00 0.00 178.44 178.48 2wsy h ILE 41 N 0.15 0.16 0.00 1.22 2.04 -0.61 -2.21 117.51 118.26 2wsy h ILE 41 Ca 0.60 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 66.28 2wsy h ILE 41 Cb 1.28 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2wsy h ILE 41 CO -0.72 0.01 0.00 -0.90 0.00 0.00 0.00 178.15 176.54 2wsy n ASP 42 N -5.47 0.04 0.15 1.72 5.75 -0.74 -2.33 116.55 115.68 2wsy n ASP 42 Ca -0.13 0.51 0.01 0.00 -0.01 0.00 0.00 54.79 55.16 2wsy n ASP 42 Cb 0.41 -0.52 0.21 0.00 -1.03 0.00 0.00 41.12 40.19 2wsy n ASP 42 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wsy h ALA 43 N 2.69 0.93 0.00 2.12 0.00 0.73 -3.46 119.26 122.26 2wsy h ALA 43 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2wsy h ALA 43 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wsy h ALA 43 CO 0.00 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.35 2wsy n GLY 44 N 0.36 0.64 3.47 0.00 0.00 -0.98 -3.94 105.19 104.74 2wsy n GLY 44 Ca -0.01 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.46 2wsy n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsy n ALA 45 N 0.00 -3.36 -0.07 4.61 0.00 -0.84 -4.90 120.51 115.95 2wsy n ALA 45 Ca 0.00 0.55 -0.22 0.00 0.00 0.00 0.00 53.44 53.77 2wsy n ALA 45 Cb 0.00 -1.73 -0.12 0.00 0.00 0.00 0.00 19.45 17.60 2wsy n ALA 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wsy n ASP 46 N 1.66 2.02 -2.58 0.00 8.00 -1.20 -4.78 116.55 119.66 2wsy n ASP 46 Ca 0.19 0.18 -0.08 0.00 0.71 0.00 0.00 54.79 55.79 2wsy n ASP 46 Cb 0.13 -0.76 -0.02 0.00 -0.02 0.00 0.00 41.12 40.45 2wsy n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wsy n ALA 47 N -3.32 0.12 -2.98 2.24 0.00 -1.26 -4.06 120.51 111.25 2wsy n ALA 47 Ca -0.39 -0.58 -0.10 0.00 0.00 0.00 0.00 53.44 52.37 2wsy n ALA 47 Cb 0.94 0.33 -0.11 0.00 0.00 0.00 0.00 19.45 20.61 2wsy n ALA 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wsy s LEU 48 N 0.00 2.03 -0.37 0.00 1.43 -0.48 -4.43 118.68 116.87 2wsy s LEU 48 Ca 0.01 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 2wsy s LEU 48 Cb 0.00 0.20 0.12 0.00 0.03 0.00 0.00 46.19 46.54 2wsy s LEU 48 CO 0.01 -0.24 0.17 -0.70 0.23 0.00 0.00 176.35 175.81 2wsy s GLU 49 N -1.10 0.90 -0.23 1.70 2.56 -1.18 -0.97 118.70 120.39 2wsy s GLU 49 Ca -0.12 -1.47 -0.07 0.00 0.00 0.00 0.00 54.97 53.32 2wsy s GLU 49 Cb -0.07 -2.01 -0.03 0.00 2.00 0.00 0.00 34.13 34.02 2wsy s GLU 49 CO -0.00 -1.09 0.05 -0.51 -0.56 0.00 0.00 175.26 173.15 2wsy s LEU 50 N 1.05 3.46 -0.05 2.70 1.43 -0.63 -0.97 118.68 125.67 2wsy s LEU 50 Ca 0.14 -0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.05 2wsy s LEU 50 Cb -0.21 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 2wsy s LEU 50 CO -0.12 0.03 0.14 -0.83 0.23 0.00 0.00 176.35 175.80 2wsy s GLY 51 N 1.25 2.13 -0.11 -3.19 0.00 -0.74 -2.21 107.32 104.45 2wsy s GLY 51 Ca 0.04 -0.74 -0.09 0.00 0.00 0.00 0.00 44.72 43.93 2wsy s GLY 51 CO 0.03 -0.57 0.20 0.14 0.00 0.00 0.00 173.10 172.91 2wsy s VAL 52 N -1.18 5.39 0.13 1.40 1.01 -1.17 -0.33 120.40 125.66 2wsy s VAL 52 Ca 0.22 0.36 -0.31 0.00 0.00 0.00 0.00 61.98 62.25 2wsy s VAL 52 Cb -0.12 -3.49 -0.11 0.00 0.00 0.00 0.00 36.38 32.67 2wsy s VAL 52 CO 0.12 0.58 1.83 -2.84 0.00 0.00 0.00 175.10 174.79 2wsy s PRO 53 N -0.79 4.13 0.00 2.72 0.02 -1.26 -4.95 135.00 134.88 2wsy s PRO 53 Ca 0.16 2.61 0.00 0.00 0.02 0.00 0.00 61.00 63.79 2wsy s PRO 53 Cb -0.13 -3.56 0.00 0.00 0.02 0.00 0.00 34.50 30.83 2wsy s PRO 53 CO 0.05 -0.84 0.00 2.41 -0.33 0.00 0.00 177.00 178.29 2wsy n THR 63 N 4.69 0.00 -0.36 0.99 -1.04 -1.26 -5.08 114.28 112.23 2wsy n THR 63 Ca 0.18 0.00 0.29 0.00 -2.04 0.00 0.00 64.05 62.47 2wsy n THR 63 Cb 0.38 0.00 0.59 0.00 -1.82 0.00 0.00 70.33 69.48 2wsy n THR 63 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2wsy h ILE 64 N 0.00 0.40 0.37 12.58 1.08 -1.99 0.30 117.51 130.25 2wsy h ILE 64 Ca 0.00 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.37 2wsy h ILE 64 Cb 0.00 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 33.88 2wsy h ILE 64 CO 0.00 0.05 -0.23 1.56 -0.69 0.00 0.00 178.15 178.84 2wsy h GLN 65 N 0.25 -0.55 -0.65 2.37 4.20 -2.05 -1.02 115.11 117.65 2wsy h GLN 65 Ca 0.64 0.04 0.10 0.00 0.06 0.00 0.00 58.65 59.49 2wsy h GLN 65 Cb 1.91 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 29.78 2wsy h GLN 65 CO -0.27 -0.37 0.44 -0.91 -0.67 0.00 0.00 178.83 177.05 2wsy h ASN 66 N -0.57 0.44 -0.47 1.46 -0.26 -0.90 0.74 115.58 116.01 2wsy h ASN 66 Ca -0.04 0.01 0.01 0.00 -0.56 0.00 0.00 56.30 55.72 2wsy h ASN 66 Cb 0.47 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.63 2wsy h ASN 66 CO 0.04 0.26 0.31 0.00 -1.06 0.00 0.00 177.43 176.98 2wsy h ALA 67 N 1.67 0.60 0.41 -0.83 0.00 -0.21 0.30 119.26 121.20 2wsy h ALA 67 Ca 0.30 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2wsy h ALA 67 Cb 0.54 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2wsy h ALA 67 CO -0.09 0.05 -0.19 -0.91 0.00 0.00 0.00 179.25 178.10 2wsy h ASN 68 N 0.64 -0.46 -0.79 0.00 2.35 0.29 -1.01 115.58 116.59 2wsy h ASN 68 Ca 0.17 -0.10 0.19 0.00 -0.55 0.00 0.00 56.30 56.02 2wsy h ASN 68 Cb -0.07 0.12 -0.12 0.00 0.05 0.00 0.00 38.32 38.30 2wsy h ASN 68 CO -0.04 -0.16 0.19 -0.07 -1.65 0.00 0.00 177.43 175.71 2wsy h LEU 69 N -0.77 0.00 0.67 1.61 -0.00 -0.77 0.37 115.31 116.40 2wsy h LEU 69 Ca -0.06 0.17 -0.03 0.00 -0.00 0.00 0.00 57.88 57.96 2wsy h LEU 69 Cb 0.53 0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 41.41 2wsy h LEU 69 CO 0.09 -0.08 -0.43 -0.09 -0.00 0.00 0.00 178.44 177.93 2wsy h ARG 70 N 0.25 -1.00 -0.06 1.13 2.43 -0.20 -2.27 114.38 114.66 2wsy h ARG 70 Ca 0.47 0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.74 2wsy h ARG 70 Cb 0.85 0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 30.57 2wsy h ARG 70 CO -0.57 -0.67 -0.39 0.00 -1.51 0.00 0.00 179.97 176.84 2wsy h ALA 71 N -1.24 -0.56 -0.97 2.80 0.00 -0.01 -2.52 119.26 116.76 2wsy h ALA 71 Ca -0.09 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.90 2wsy h ALA 71 Cb 0.84 0.70 -0.12 0.00 0.00 0.00 0.00 17.79 19.21 2wsy h ALA 71 CO 0.07 -0.90 -0.57 0.74 0.00 0.00 0.00 179.25 178.60 2wsy h PHE 72 N -0.50 -1.82 0.00 0.00 0.04 -0.28 2.47 116.94 116.85 2wsy h PHE 72 Ca 0.07 0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.96 2wsy h PHE 72 Cb 0.61 0.92 0.00 0.00 2.20 0.00 0.00 35.95 39.68 2wsy h PHE 72 CO -0.43 -0.38 0.00 0.00 -0.60 0.00 0.00 178.31 176.90 2wsy n ALA 73 N -3.26 1.37 -1.23 2.45 0.00 -0.86 -0.56 120.51 118.42 2wsy n ALA 73 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.54 2wsy n ALA 73 Cb 0.28 -0.91 0.17 0.00 0.00 0.00 0.00 19.45 18.99 2wsy n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wsy n ALA 74 N -0.60 2.85 -3.57 0.00 0.00 0.83 -5.02 120.51 115.00 2wsy n ALA 74 Ca 0.00 -2.82 -0.19 0.00 0.00 0.00 0.00 53.44 50.44 2wsy n ALA 74 Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2wsy n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wsy n GLY 75 N -1.24 -1.22 2.97 0.00 0.00 0.28 -4.87 105.19 101.10 2wsy n GLY 75 Ca 0.18 0.61 -0.31 0.00 0.00 0.00 0.00 46.02 46.51 2wsy n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wsy s VAL 76 N -2.91 3.05 0.52 1.61 1.01 -1.26 -5.01 120.40 117.42 2wsy s VAL 76 Ca 0.02 -3.66 -0.17 0.00 0.00 0.00 0.00 61.98 58.17 2wsy s VAL 76 Cb -0.00 -3.02 -0.07 0.00 0.00 0.00 0.00 36.38 33.28 2wsy s VAL 76 CO 0.86 -0.91 1.00 0.28 0.00 0.00 0.00 175.10 176.32 2wsy s THR 77 N -0.78 4.30 -0.21 3.92 -1.32 -1.26 -4.89 115.64 115.40 2wsy s THR 77 Ca 0.21 1.16 0.06 0.00 -1.21 0.00 0.00 61.69 61.91 2wsy s THR 77 Cb -0.16 -3.61 0.06 0.00 -1.51 0.00 0.00 72.50 67.28 2wsy s THR 77 CO -0.07 -0.58 1.01 -2.65 -2.21 0.00 0.00 174.62 170.12 2wsy n PRO 78 N -1.54 0.04 -0.05 7.08 -0.02 -1.26 0.71 135.00 139.96 2wsy n PRO 78 Ca 0.07 0.42 -0.11 0.00 -2.02 0.00 0.00 63.50 61.87 2wsy n PRO 78 Cb 0.54 -1.94 -0.15 0.00 -0.02 0.00 0.00 33.50 31.93 2wsy n PRO 78 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wsy n ALA 79 N -1.40 1.44 0.21 3.55 0.00 -1.26 -4.02 120.51 119.02 2wsy n ALA 79 Ca -0.00 -0.95 0.04 0.00 0.00 0.00 0.00 53.44 52.53 2wsy n ALA 79 Cb 0.31 -0.59 0.44 0.00 0.00 0.00 0.00 19.45 19.61 2wsy n ALA 79 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2wsy h GLN 80 N 0.01 0.00 -0.00 0.00 5.75 -0.06 -3.07 115.11 117.72 2wsy h GLN 80 Ca -0.39 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.07 2wsy h GLN 80 Cb 2.08 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.64 2wsy h GLN 80 CO 0.06 0.27 -0.13 0.00 -2.65 0.00 0.00 178.83 176.38 2wsy h PHE 82 N -0.61 0.00 -0.07 0.00 0.04 -1.68 1.12 116.94 115.73 2wsy h PHE 82 Ca -0.01 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 2wsy h PHE 82 Cb 0.88 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.03 2wsy h PHE 82 CO 0.18 0.00 -0.13 0.93 -0.60 0.00 0.00 178.31 178.69 2wsy h GLU 83 N 0.00 0.20 -0.58 1.51 5.08 -1.45 -2.40 114.58 116.93 2wsy h GLU 83 Ca 0.04 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2wsy h GLU 83 Cb 0.63 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2wsy h GLU 83 CO -0.00 0.72 0.12 0.52 -1.00 0.00 0.00 179.01 179.37 2wsy h MET 84 N -0.29 0.95 -0.87 2.33 2.86 0.11 -0.56 114.93 119.46 2wsy h MET 84 Ca 0.00 -0.24 0.08 0.00 -2.06 0.00 0.00 59.70 57.48 2wsy h MET 84 Cb 0.71 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 32.19 2wsy h MET 84 CO 0.03 0.89 0.57 -0.07 1.06 0.00 0.00 176.91 179.38 2wsy h LEU 85 N 0.85 0.83 0.03 1.22 3.38 0.21 0.45 115.31 122.28 2wsy h LEU 85 Ca 0.18 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2wsy h LEU 85 Cb 0.38 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2wsy h LEU 85 CO 0.01 0.52 -0.01 0.00 0.09 0.00 0.00 178.44 179.04 2wsy h ALA 86 N 1.54 -0.04 -0.09 1.53 0.00 -1.12 -2.31 119.26 118.77 2wsy h ALA 86 Ca 0.39 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2wsy h ALA 86 Cb 0.29 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 2wsy h ALA 86 CO -0.15 -0.16 -0.51 -0.07 0.00 0.00 0.00 179.25 178.35 2wsy h LEU 87 N -0.75 -1.61 -0.19 0.00 4.07 -0.59 0.46 115.31 116.70 2wsy h LEU 87 Ca -0.00 0.19 0.03 0.00 0.08 0.00 0.00 57.88 58.18 2wsy h LEU 87 Cb 0.68 0.63 -0.07 0.00 1.08 0.00 0.00 40.66 42.98 2wsy h LEU 87 CO 0.01 -0.49 -0.54 0.40 -1.08 0.00 0.00 178.44 176.74 2wsy h ILE 88 N -0.59 0.00 -0.71 1.22 2.04 -0.21 0.21 117.51 119.46 2wsy h ILE 88 Ca 0.04 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.10 2wsy h ILE 88 Cb 0.69 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 2wsy h ILE 88 CO -0.40 0.00 0.51 -0.09 0.00 0.00 0.00 178.15 178.17 2wsy h ARG 89 N -0.54 0.02 -0.96 2.37 9.65 -0.83 -0.27 114.38 123.82 2wsy h ARG 89 Ca 0.04 -0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.95 2wsy h ARG 89 Cb 0.65 -0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.17 2wsy h ARG 89 CO -0.46 0.01 0.63 0.93 2.80 0.00 0.00 179.97 183.88 2wsy h GLU 90 N 0.02 1.21 0.00 0.20 5.08 0.32 -2.87 114.58 118.54 2wsy h GLU 90 Ca 0.34 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 2wsy h GLU 90 Cb 1.34 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2wsy h GLU 90 CO -0.01 0.80 -1.37 1.63 -1.00 0.00 0.00 179.01 179.06 2wsy n LYS 91 N -4.45 0.62 -3.81 2.33 5.02 -0.23 -4.68 118.16 112.96 2wsy n LYS 91 Ca 0.12 0.10 -0.30 0.00 -2.02 0.00 0.00 58.31 56.21 2wsy n LYS 91 Cb 0.07 -1.76 -0.13 0.00 -0.02 0.00 0.00 35.03 33.19 2wsy n LYS 91 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2wsy s HIS 92 N -3.20 2.49 -0.79 2.13 3.76 -0.50 -4.95 115.29 114.23 2wsy s HIS 92 Ca -0.03 -2.73 0.26 0.00 -0.15 0.00 0.00 55.06 52.41 2wsy s HIS 92 Cb 0.10 -2.28 0.93 0.00 1.11 0.00 0.00 32.58 32.44 2wsy s HIS 92 CO 0.82 -0.77 1.80 -0.35 -0.85 0.00 0.00 174.74 175.39 2wsy n PRO 93 N 3.41 0.18 -0.13 8.40 -0.04 -1.20 -4.28 135.00 141.34 2wsy n PRO 93 Ca 0.07 0.18 -0.26 0.00 -0.04 0.00 0.00 63.50 63.45 2wsy n PRO 93 Cb 0.34 -1.72 -0.09 0.00 -0.04 0.00 0.00 33.50 31.98 2wsy n PRO 93 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2wsy n THR 94 N -2.04 1.38 -1.64 0.52 -2.24 -1.26 -4.98 114.28 104.02 2wsy n THR 94 Ca 0.06 -0.37 -0.53 0.00 -2.27 0.00 0.00 64.05 60.94 2wsy n THR 94 Cb 0.38 -1.77 -0.06 0.00 -2.10 0.00 0.00 70.33 66.77 2wsy n THR 94 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wsy n ILE 95 N -4.00 0.14 -2.36 2.28 3.06 -1.26 -4.91 119.36 112.31 2wsy n ILE 95 Ca -0.49 -0.03 -0.36 0.00 -2.50 0.00 0.00 62.75 59.38 2wsy n ILE 95 Cb 0.86 -1.11 -0.02 0.00 0.54 0.00 0.00 39.64 39.91 2wsy n ILE 95 CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 2wsy s PRO 96 N 1.76 3.70 -0.10 9.51 0.02 -1.26 -4.92 135.00 143.71 2wsy s PRO 96 Ca 0.89 1.60 0.03 0.00 0.02 0.00 0.00 61.00 63.54 2wsy s PRO 96 Cb -0.94 -2.24 0.01 0.00 0.02 0.00 0.00 34.50 31.35 2wsy s PRO 96 CO 0.52 -0.56 -0.20 0.42 -0.33 0.00 0.00 177.00 176.85 2wsy s ILE 97 N -1.72 1.82 0.11 2.83 -1.09 -1.26 -1.38 121.20 120.50 2wsy s ILE 97 Ca 0.66 -0.86 0.06 0.00 -2.23 0.00 0.00 60.65 58.28 2wsy s ILE 97 Cb -0.24 -1.60 -0.04 0.00 -1.58 0.00 0.00 42.46 39.01 2wsy s ILE 97 CO 0.28 0.51 -0.05 -0.83 -1.23 0.00 0.00 174.94 173.61 2wsy s GLY 98 N 0.57 1.82 -0.06 6.18 0.00 -0.14 -1.70 107.32 113.99 2wsy s GLY 98 Ca -0.14 -1.23 0.04 0.00 0.00 0.00 0.00 44.72 43.38 2wsy s GLY 98 CO 0.05 -1.22 -0.17 -2.27 0.00 0.00 0.00 173.10 169.49 2wsy s LEU 99 N -2.38 1.87 -0.31 0.66 2.96 -0.30 -1.61 118.68 119.58 2wsy s LEU 99 Ca 0.24 -0.37 -0.08 0.00 -0.22 0.00 0.00 54.13 53.70 2wsy s LEU 99 Cb -0.11 -1.01 0.01 0.00 0.50 0.00 0.00 46.19 45.58 2wsy s LEU 99 CO 0.16 0.12 0.11 -0.22 -1.32 0.00 0.00 176.35 175.21 2wsy s LEU 100 N 0.25 4.00 0.28 -0.68 1.98 -0.94 -0.93 118.68 122.64 2wsy s LEU 100 Ca -0.09 -0.68 0.03 0.00 -2.89 0.00 0.00 54.13 50.50 2wsy s LEU 100 Cb -0.14 -1.93 -0.04 0.00 0.66 0.00 0.00 46.19 44.74 2wsy s LEU 100 CO 0.04 -0.21 0.17 -0.04 -1.89 0.00 0.00 176.35 174.42 2wsy s MET 101 N 1.54 1.51 -0.02 1.98 -1.94 -0.73 -3.03 119.30 118.61 2wsy s MET 101 Ca 0.03 -1.85 0.07 0.00 -1.71 0.00 0.00 55.69 52.24 2wsy s MET 101 Cb -0.17 0.05 -0.02 0.00 2.01 0.00 0.00 34.83 36.70 2wsy s MET 101 CO 0.04 -0.46 -0.24 0.71 -0.01 0.00 0.00 175.02 175.07 2wsy s TYR 102 N -3.73 2.41 0.07 -0.03 1.51 -1.26 -0.34 117.35 115.98 2wsy s TYR 102 Ca 0.37 -0.38 -0.13 0.00 -1.01 0.00 0.00 57.07 55.93 2wsy s TYR 102 Cb 0.05 -1.51 -0.03 0.00 -0.11 0.00 0.00 41.96 40.36 2wsy s TYR 102 CO 0.18 0.03 0.73 0.00 -1.11 0.00 0.00 175.55 175.38 2wsy n ALA 103 N 2.32 -0.26 -0.30 3.71 0.00 -1.26 -0.99 120.51 123.73 2wsy n ALA 103 Ca -0.16 0.35 0.13 0.00 0.00 0.00 0.00 53.44 53.76 2wsy n ALA 103 Cb 0.51 -0.01 0.29 0.00 0.00 0.00 0.00 19.45 20.25 2wsy n ALA 103 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2wsy h ASN 104 N 0.00 0.05 -0.21 0.00 -0.00 -1.97 0.44 115.58 113.89 2wsy h ASN 104 Ca 0.07 0.19 -0.01 0.00 -0.00 0.00 0.00 56.30 56.55 2wsy h ASN 104 Cb 0.17 0.25 -0.01 0.00 -0.00 0.00 0.00 38.32 38.73 2wsy h ASN 104 CO -0.39 -0.14 0.10 0.25 -0.00 0.00 0.00 177.43 177.25 2wsy h LEU 105 N 0.23 0.27 -0.34 0.34 5.85 -1.49 1.56 115.31 121.74 2wsy h LEU 105 Ca 0.55 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.14 2wsy h LEU 105 Cb 1.12 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2wsy h LEU 105 CO -0.64 0.33 0.00 -0.37 -0.34 0.00 0.00 178.44 177.42 2wsy h VAL 106 N 0.20 0.00 0.14 1.05 -1.51 -1.29 -3.23 116.25 111.61 2wsy h VAL 106 Ca 0.07 -0.76 -0.35 0.00 -1.23 0.00 0.00 66.70 64.43 2wsy h VAL 106 Cb 0.13 1.74 -0.01 0.00 -2.13 0.00 0.00 31.29 31.03 2wsy h VAL 106 CO -0.01 0.00 -1.83 0.15 -1.23 0.00 0.00 177.57 174.65 2wsy h PHE 107 N 0.00 0.55 0.00 5.19 3.04 0.25 -3.26 116.94 122.72 2wsy h PHE 107 Ca 0.00 -0.40 0.00 0.00 3.98 0.00 0.00 57.97 61.55 2wsy h PHE 107 Cb 0.82 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.30 2wsy h PHE 107 CO 0.00 1.66 0.00 -1.71 -2.02 0.00 0.00 178.31 176.24 2wsy n ASN 108 N -3.50 0.00 -3.62 0.41 4.05 0.53 -1.85 115.26 111.28 2wsy n ASN 108 Ca -0.26 0.01 -0.41 0.00 0.45 0.00 0.00 54.58 54.37 2wsy n ASN 108 Cb 1.06 0.00 -0.00 0.00 1.23 0.00 0.00 39.78 42.07 2wsy n ASN 108 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2wsy n ASN 109 N -0.05 7.07 -0.53 1.20 5.03 -1.26 -4.90 115.26 121.82 2wsy n ASN 109 Ca 0.00 -3.16 0.00 0.00 0.87 0.00 0.00 54.58 52.29 2wsy n ASN 109 Cb 0.00 -1.39 0.00 0.00 -1.02 0.00 0.00 39.78 37.37 2wsy n ASN 109 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wsy n GLY 110 N 1.99 -3.70 0.18 7.41 0.00 -0.77 -4.34 105.19 105.97 2wsy n GLY 110 Ca 0.54 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 2wsy n GLY 110 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wsy h ILE 111 N 0.74 0.77 -0.04 -0.61 2.04 -1.72 -2.89 117.51 115.79 2wsy h ILE 111 Ca 0.00 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.34 2wsy h ILE 111 Cb 0.00 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2wsy h ILE 111 CO 0.00 0.11 0.02 0.44 0.00 0.00 0.00 178.15 178.72 2wsy h ASP 112 N -0.65 0.04 -0.92 1.72 5.19 -1.90 -2.39 116.42 117.52 2wsy h ASP 112 Ca -0.04 -0.02 0.26 0.00 -0.62 0.00 0.00 57.03 56.61 2wsy h ASP 112 Cb 0.46 -0.01 -0.15 0.00 0.18 0.00 0.00 39.33 39.81 2wsy h ASP 112 CO 0.06 0.05 0.29 0.00 -3.12 0.00 0.00 179.24 176.53 2wsy h ALA 113 N 1.00 1.43 0.82 3.45 0.00 -1.79 0.73 119.26 124.90 2wsy h ALA 113 Ca 0.01 0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2wsy h ALA 113 Cb 0.01 0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.12 2wsy h ALA 113 CO -0.00 -0.51 -0.39 0.35 0.00 0.00 0.00 179.25 178.69 2wsy h PHE 114 N 0.21 -1.02 -0.94 0.00 3.57 -1.22 -0.88 116.94 116.65 2wsy h PHE 114 Ca 0.60 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 62.20 2wsy h PHE 114 Cb 1.27 0.34 -0.07 0.00 2.79 0.00 0.00 35.95 40.27 2wsy h PHE 114 CO -0.23 -0.64 0.60 1.88 -2.23 0.00 0.00 178.31 177.70 2wsy h TYR 115 N -1.23 1.00 -0.82 0.41 0.05 -0.70 0.20 116.97 115.88 2wsy h TYR 115 Ca -0.11 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.65 2wsy h TYR 115 Cb 0.84 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 38.23 2wsy h TYR 115 CO 0.01 0.41 0.35 0.00 -1.05 0.00 0.00 178.16 177.88 2wsy h ALA 116 N 1.56 1.07 0.00 3.88 0.00 0.50 -1.09 119.26 125.18 2wsy h ALA 116 Ca 0.46 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2wsy h ALA 116 Cb 0.53 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2wsy h ALA 116 CO -0.22 0.67 -0.33 -0.09 0.00 0.00 0.00 179.25 179.28 2wsy h ARG 117 N 1.18 0.00 -0.19 0.00 9.65 0.45 -2.73 114.38 122.75 2wsy h ARG 117 Ca 0.28 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.12 2wsy h ARG 117 Cb 0.19 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 2wsy h ARG 117 CO -0.03 0.33 -0.02 0.00 2.80 0.00 0.00 179.97 183.05 2wsy h GLU 119 N 0.09 0.00 0.00 0.00 4.81 -1.25 -2.20 114.58 116.02 2wsy h GLU 119 Ca 0.05 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 2wsy h GLU 119 Cb 0.44 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2wsy h GLU 119 CO 0.01 0.13 -0.55 0.37 -0.73 0.00 0.00 179.01 178.25 2wsy h GLN 120 N 0.00 0.00 0.00 1.92 4.15 -1.15 -3.28 115.11 116.76 2wsy h GLN 120 Ca -0.00 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.28 2wsy h GLN 120 Cb 0.30 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 2wsy h GLN 120 CO 0.02 0.55 -1.67 1.33 -1.93 0.00 0.00 178.83 177.12 2wsy n VAL 121 N -3.73 0.84 0.00 2.39 0.24 -0.88 -4.99 118.33 112.20 2wsy n VAL 121 Ca -0.01 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 2wsy n VAL 121 Cb 0.59 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 2wsy n VAL 121 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wsy n GLY 122 N 1.39 1.89 3.81 7.63 0.00 -0.88 -4.27 105.19 114.76 2wsy n GLY 122 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 2wsy n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wsy s VAL 123 N -2.00 4.57 -0.22 1.61 1.01 -0.89 -4.69 120.40 119.80 2wsy s VAL 123 Ca 0.00 1.28 -0.04 0.00 0.00 0.00 0.00 61.98 63.23 2wsy s VAL 123 Cb 0.00 -3.86 -0.12 0.00 0.00 0.00 0.00 36.38 32.40 2wsy s VAL 123 CO 0.00 0.21 -0.23 0.47 0.00 0.00 0.00 175.10 175.56 2wsy n ASP 124 N 0.74 2.04 -4.03 3.32 8.00 -0.69 -4.64 116.55 121.29 2wsy n ASP 124 Ca -0.02 0.05 -0.11 0.00 0.71 0.00 0.00 54.79 55.41 2wsy n ASP 124 Cb 0.51 -0.47 -0.11 0.00 -0.02 0.00 0.00 41.12 41.03 2wsy n ASP 124 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2wsy s SER 125 N -6.44 0.63 -0.03 -2.24 1.04 -1.00 -0.73 113.70 104.94 2wsy s SER 125 Ca -0.30 -0.55 0.01 0.00 0.48 0.00 0.00 55.95 55.59 2wsy s SER 125 Cb 0.09 0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.29 2wsy s SER 125 CO 0.45 -0.25 -0.02 -0.69 0.98 0.00 0.00 173.24 173.70 2wsy s VAL 126 N -1.50 0.30 -0.14 5.02 1.01 -0.32 -1.15 120.40 123.61 2wsy s VAL 126 Ca -0.11 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.84 2wsy s VAL 126 Cb -0.09 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 35.97 2wsy s VAL 126 CO -0.00 0.15 -0.15 -0.22 0.00 0.00 0.00 175.10 174.87 2wsy s LEU 127 N 0.68 1.72 -0.56 3.92 2.96 -0.11 -1.91 118.68 125.37 2wsy s LEU 127 Ca -0.07 -0.48 -0.20 0.00 -0.22 0.00 0.00 54.13 53.15 2wsy s LEU 127 Cb -0.11 -1.18 0.07 0.00 0.50 0.00 0.00 46.19 45.47 2wsy s LEU 127 CO -0.01 -0.04 0.76 -0.69 -1.32 0.00 0.00 176.35 175.05 2wsy s VAL 128 N 1.36 4.68 0.56 1.68 1.01 -1.26 -1.77 120.40 126.66 2wsy s VAL 128 Ca 0.02 -0.48 0.37 0.00 0.00 0.00 0.00 61.98 61.90 2wsy s VAL 128 Cb -0.13 -4.46 0.55 0.00 0.00 0.00 0.00 36.38 32.34 2wsy s VAL 128 CO -0.09 -1.06 1.71 0.00 0.00 0.00 0.00 175.10 175.67 2wsy h ALA 129 N 9.20 3.12 -0.32 5.51 0.00 -1.07 0.07 119.26 135.77 2wsy h ALA 129 Ca -0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2wsy h ALA 129 Cb 1.08 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2wsy h ALA 129 CO 1.06 -1.59 0.00 -0.40 0.00 0.00 0.00 179.25 178.32 2wsy n ASP 130 N -3.95 3.48 -4.14 0.00 5.68 -1.26 -4.88 116.55 111.47 2wsy n ASP 130 Ca 0.26 -2.50 -0.38 0.00 -0.50 0.00 0.00 54.79 51.68 2wsy n ASP 130 Cb 1.35 -0.39 -0.10 0.00 -1.14 0.00 0.00 41.12 40.83 2wsy n ASP 130 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2wsy s VAL 131 N -1.89 3.59 0.69 2.12 1.01 0.01 -4.88 120.40 121.05 2wsy s VAL 131 Ca 0.33 -2.06 -0.13 0.00 0.00 0.00 0.00 61.98 60.12 2wsy s VAL 131 Cb 0.23 -3.42 0.02 0.00 0.00 0.00 0.00 36.38 33.21 2wsy s VAL 131 CO 0.13 -0.73 1.09 -2.16 0.00 0.00 0.00 175.10 173.42 2wsy s PRO 132 N 1.09 2.71 0.61 2.72 0.04 -1.26 -4.81 135.00 136.10 2wsy s PRO 132 Ca 0.08 1.21 0.28 0.00 0.04 0.00 0.00 61.00 62.62 2wsy s PRO 132 Cb -0.23 -1.95 1.47 0.00 0.04 0.00 0.00 34.50 33.82 2wsy s PRO 132 CO -0.03 -1.30 1.87 -0.24 0.04 0.00 0.00 177.00 177.34 2wsy h VAL 133 N -0.43 0.26 0.00 -0.36 3.04 -1.98 0.21 116.25 116.98 2wsy h VAL 133 Ca -0.45 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 2wsy h VAL 133 Cb 1.23 0.60 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 2wsy h VAL 133 CO 0.54 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 176.48 2wsy n GLU 134 N -3.46 0.18 -2.42 4.17 4.71 -1.26 -3.70 120.64 118.85 2wsy n GLU 134 Ca 0.06 0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 2wsy n GLU 134 Cb 0.63 -1.50 0.05 0.00 -1.01 0.00 0.00 31.44 29.60 2wsy n GLU 134 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2wsy n GLU 135 N -1.40 1.20 -0.00 3.49 -0.58 0.73 -4.89 120.64 119.19 2wsy n GLU 135 Ca 0.09 -2.80 0.07 0.00 -0.42 0.00 0.00 57.16 54.10 2wsy n GLU 135 Cb 0.27 -0.92 -0.10 0.00 -0.57 0.00 0.00 31.44 30.12 2wsy n GLU 135 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2wsy n SER 136 N -0.41 1.19 -0.01 1.62 3.41 -1.07 -4.72 113.62 113.64 2wsy n SER 136 Ca 0.03 -0.39 -0.00 0.00 -0.26 0.00 0.00 58.87 58.24 2wsy n SER 136 Cb 0.89 1.35 -0.00 0.00 -0.26 0.00 0.00 64.21 66.19 2wsy n SER 136 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wsy n ALA 137 N -1.69 -0.01 -0.32 7.33 0.00 -1.26 0.17 120.51 124.73 2wsy n ALA 137 Ca -0.00 0.01 0.19 0.00 0.00 0.00 0.00 53.44 53.64 2wsy n ALA 137 Cb 0.30 0.30 0.39 0.00 0.00 0.00 0.00 19.45 20.44 2wsy n ALA 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2wsy h PRO 138 N 0.00 0.35 0.06 0.00 0.11 -2.00 0.70 132.00 131.22 2wsy h PRO 138 Ca 0.00 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 65.83 2wsy h PRO 138 Cb 0.01 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.05 2wsy h PRO 138 CO -0.01 0.23 -1.09 0.74 -0.21 0.00 0.00 178.00 177.67 2wsy h PHE 139 N 0.37 0.73 0.76 0.65 -1.00 0.30 -2.93 116.94 115.81 2wsy h PHE 139 Ca 0.65 -0.44 -0.04 0.00 2.81 0.00 0.00 57.97 60.96 2wsy h PHE 139 Cb 1.37 -0.07 0.01 0.00 3.61 0.00 0.00 35.95 40.87 2wsy h PHE 139 CO -0.08 1.28 -0.36 0.00 -1.61 0.00 0.00 178.31 177.54 2wsy h ARG 140 N 0.23 -0.98 0.11 1.51 3.08 0.39 -1.86 114.38 116.86 2wsy h ARG 140 Ca -0.12 0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.01 2wsy h ARG 140 Cb 1.75 0.22 -0.05 0.00 0.08 0.00 0.00 29.97 31.98 2wsy h ARG 140 CO 0.19 -0.65 -0.44 1.96 -1.07 0.00 0.00 179.97 179.96 2wsy h GLN 141 N -1.12 -0.64 -0.88 0.04 4.20 -1.20 0.20 115.11 115.71 2wsy h GLN 141 Ca -0.10 0.04 0.24 0.00 0.06 0.00 0.00 58.65 58.89 2wsy h GLN 141 Cb 0.78 0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.66 2wsy h GLN 141 CO 0.17 -0.43 0.62 0.00 -0.67 0.00 0.00 178.83 178.52 2wsy h ALA 142 N -0.23 2.62 0.09 3.87 0.00 -1.59 0.41 119.26 124.44 2wsy h ALA 142 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wsy h ALA 142 Cb 0.69 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2wsy h ALA 142 CO -0.26 -0.89 -0.05 0.00 0.00 0.00 0.00 179.25 178.06 2wsy h ALA 143 N 1.58 -0.13 -0.26 0.00 0.00 -0.31 -3.04 119.26 117.11 2wsy h ALA 143 Ca 0.43 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2wsy h ALA 143 Cb 1.51 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 2wsy h ALA 143 CO -0.06 -0.23 0.04 -0.07 0.00 0.00 0.00 179.25 178.92 2wsy h LEU 144 N -0.80 -0.01 -0.78 0.00 3.38 0.20 0.19 115.31 117.49 2wsy h LEU 144 Ca -0.01 0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.18 2wsy h LEU 144 Cb 0.58 0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.26 2wsy h LEU 144 CO 0.02 0.03 -0.02 0.03 0.09 0.00 0.00 178.44 178.59 2wsy h ARG 145 N 0.14 0.08 -0.83 1.13 3.08 -0.32 0.27 114.38 117.92 2wsy h ARG 145 Ca 0.12 -0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.02 2wsy h ARG 145 Cb 0.13 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.07 2wsy h ARG 145 CO -0.17 0.05 0.19 0.72 -1.07 0.00 0.00 179.97 179.69 2wsy n HIS 146 N -5.38 1.71 -3.57 3.04 8.25 -0.92 -4.92 115.22 113.43 2wsy n HIS 146 Ca 0.14 -0.88 -0.23 0.00 -0.26 0.00 0.00 57.72 56.49 2wsy n HIS 146 Cb 0.49 -0.53 0.05 0.00 1.12 0.00 0.00 29.99 31.12 2wsy n HIS 146 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2wsy n ASN 147 N -0.01 -3.97 -4.02 0.41 3.02 0.93 -4.69 115.26 106.93 2wsy n ASN 147 Ca 0.28 -0.85 -0.25 0.00 -0.03 0.00 0.00 54.58 53.73 2wsy n ASN 147 Cb 1.07 -4.18 -0.17 0.00 -0.61 0.00 0.00 39.78 35.90 2wsy n ASN 147 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wsy s ILE 148 N -3.52 1.14 -0.28 2.41 -1.09 0.61 -4.14 121.20 116.33 2wsy s ILE 148 Ca 0.27 -0.48 -0.29 0.00 -2.23 0.00 0.00 60.65 57.93 2wsy s ILE 148 Cb -0.07 -1.05 -0.00 0.00 -1.58 0.00 0.00 42.46 39.76 2wsy s ILE 148 CO 0.81 0.36 1.28 0.00 -1.23 0.00 0.00 174.94 176.16 2wsy s ALA 149 N 0.70 3.42 -0.66 9.38 0.00 0.09 -3.58 121.76 131.11 2wsy s ALA 149 Ca -0.14 0.16 -0.26 0.00 0.00 0.00 0.00 51.96 51.72 2wsy s ALA 149 Cb -0.16 -3.74 0.04 0.00 0.00 0.00 0.00 23.12 19.26 2wsy s ALA 149 CO 0.03 -1.66 1.16 -1.25 0.00 0.00 0.00 175.76 174.04 2wsy s PRO 150 N 4.03 3.27 -0.12 0.00 0.04 -1.26 -1.18 135.00 139.77 2wsy s PRO 150 Ca 0.55 -0.25 -0.24 0.00 0.04 0.00 0.00 61.00 61.11 2wsy s PRO 150 Cb -0.17 -4.14 -0.02 0.00 0.04 0.00 0.00 34.50 30.21 2wsy s PRO 150 CO 0.21 -1.90 0.77 0.42 0.04 0.00 0.00 177.00 176.54 2wsy s ILE 151 N 5.02 4.96 -0.05 0.56 1.01 -0.80 -3.23 121.20 128.67 2wsy s ILE 151 Ca 0.34 1.54 0.04 0.00 0.00 0.00 0.00 60.65 62.56 2wsy s ILE 151 Cb -0.10 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 2wsy s ILE 151 CO 0.17 0.13 -0.14 -0.36 0.00 0.00 0.00 174.94 174.74 2wsy s PHE 152 N 1.56 2.72 0.17 3.97 0.40 -1.26 -4.25 117.98 121.28 2wsy s PHE 152 Ca 0.38 -0.14 -0.28 0.00 -0.60 0.00 0.00 56.93 56.28 2wsy s PHE 152 Cb -0.17 -1.63 -0.08 0.00 0.51 0.00 0.00 43.02 41.66 2wsy s PHE 152 CO 0.15 0.21 0.88 0.42 0.70 0.00 0.00 175.22 177.58 2wsy s ILE 153 N -0.75 4.33 -0.46 0.64 1.01 -1.26 -3.17 121.20 121.54 2wsy s ILE 153 Ca 0.12 1.93 0.01 0.00 0.00 0.00 0.00 60.65 62.71 2wsy s ILE 153 Cb -0.11 -4.25 0.12 0.00 0.01 0.00 0.00 42.46 38.23 2wsy s ILE 153 CO 0.01 0.45 0.22 0.00 0.00 0.00 0.00 174.94 175.62 2wsy s PRO 155 N 0.47 1.25 0.09 0.00 0.04 -1.26 -4.53 135.00 131.06 2wsy s PRO 155 Ca 0.13 -0.23 -0.35 0.00 0.04 0.00 0.00 61.00 60.59 2wsy s PRO 155 Cb -0.22 -1.92 -0.16 0.00 0.04 0.00 0.00 34.50 32.24 2wsy s PRO 155 CO -0.04 -2.01 1.55 -1.00 0.04 0.00 0.00 177.00 175.54 2wsy h PRO 156 N -1.33 -0.86 -2.29 0.56 0.13 -1.99 -2.83 132.00 123.38 2wsy h PRO 156 Ca -0.45 0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.70 2wsy h PRO 156 Cb 1.28 0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.59 2wsy h PRO 156 CO 0.50 -0.58 0.07 0.27 -0.23 0.00 0.00 178.00 178.03 2wsy n ASN 157 N -5.49 2.14 -4.80 1.44 0.23 -1.26 -4.83 115.26 102.69 2wsy n ASN 157 Ca -0.10 -1.73 -0.30 0.00 -0.53 0.00 0.00 54.58 51.92 2wsy n ASN 157 Cb 0.44 -0.51 0.10 0.00 -2.08 0.00 0.00 39.78 37.72 2wsy n ASN 157 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wsy s ALA 158 N 1.68 2.16 0.02 -2.53 0.00 -1.07 -5.09 121.76 116.93 2wsy s ALA 158 Ca 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.88 2wsy s ALA 158 Cb 0.06 -3.11 -0.00 0.00 0.00 0.00 0.00 23.12 20.07 2wsy s ALA 158 CO 0.00 -1.81 0.00 -3.47 0.00 0.00 0.00 175.76 170.48 2wsy n ASP 159 N -3.49 1.73 -0.00 0.00 2.03 -1.26 -5.01 116.55 110.54 2wsy n ASP 159 Ca 0.07 -1.11 -0.21 0.00 0.52 0.00 0.00 54.79 54.06 2wsy n ASP 159 Cb 0.56 0.03 -0.14 0.00 -0.72 0.00 0.00 41.12 40.85 2wsy n ASP 159 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2wsy h ASP 160 N 0.06 0.36 -0.32 1.67 3.58 -1.98 -2.59 116.42 117.20 2wsy h ASP 160 Ca -0.02 -0.84 -0.14 0.00 0.42 0.00 0.00 57.03 56.45 2wsy h ASP 160 Cb 0.06 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 2wsy h ASP 160 CO 0.03 1.64 -0.30 0.44 -2.88 0.00 0.00 179.24 178.17 2wsy h ASP 161 N -0.30 0.88 -0.39 2.28 5.19 -1.97 0.25 116.42 122.37 2wsy h ASP 161 Ca -0.32 -0.36 -0.08 0.00 -0.62 0.00 0.00 57.03 55.64 2wsy h ASP 161 Cb 1.77 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 41.01 2wsy h ASP 161 CO 0.04 1.12 -0.04 0.25 -3.12 0.00 0.00 179.24 177.49 2wsy h LEU 162 N 0.71 0.77 -0.84 1.55 7.12 -1.96 0.66 115.31 123.32 2wsy h LEU 162 Ca 0.08 -0.20 -0.11 0.00 0.13 0.00 0.00 57.88 57.78 2wsy h LEU 162 Cb 0.86 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.77 2wsy h LEU 162 CO 0.08 0.86 -0.34 -0.07 -0.13 0.00 0.00 178.44 178.84 2wsy h LEU 163 N 0.73 0.48 -0.15 2.25 -0.00 -1.00 -1.43 115.31 116.19 2wsy h LEU 163 Ca 0.14 -0.19 -0.21 0.00 -0.00 0.00 0.00 57.88 57.62 2wsy h LEU 163 Cb 0.50 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.01 2wsy h LEU 163 CO 0.03 0.79 -0.96 -0.09 -0.00 0.00 0.00 178.44 178.20 2wsy h ARG 164 N 0.40 0.14 -0.14 1.13 2.43 0.24 -2.92 114.38 115.66 2wsy h ARG 164 Ca 0.05 -0.18 -0.11 0.00 -0.81 0.00 0.00 59.98 58.93 2wsy h ARG 164 Cb 0.78 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 2wsy h ARG 164 CO 0.06 0.99 -0.34 1.96 -1.51 0.00 0.00 179.97 181.14 2wsy h GLN 165 N 0.06 0.48 0.00 0.20 4.20 0.53 -2.52 115.11 118.06 2wsy h GLN 165 Ca -0.05 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.28 2wsy h GLN 165 Cb 1.64 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.46 2wsy h GLN 165 CO 0.14 0.94 -0.26 -0.39 -0.67 0.00 0.00 178.83 178.59 2wsy h VAL 166 N 0.08 0.64 0.00 -0.54 -1.51 -1.36 0.68 116.25 114.25 2wsy h VAL 166 Ca -0.00 -1.22 -0.13 0.00 -1.23 0.00 0.00 66.70 64.12 2wsy h VAL 166 Cb 0.95 1.80 -0.02 0.00 -2.13 0.00 0.00 31.29 31.89 2wsy h VAL 166 CO 0.07 0.26 -0.61 0.00 -1.23 0.00 0.00 177.57 176.06 2wsy h ALA 167 N 1.74 0.60 0.05 5.19 0.00 -1.50 -2.07 119.26 123.27 2wsy h ALA 167 Ca -0.00 -0.56 -0.35 0.00 0.00 0.00 0.00 54.91 54.00 2wsy h ALA 167 Cb 0.78 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 2wsy h ALA 167 CO 0.03 0.77 -1.99 0.45 0.00 0.00 0.00 179.25 178.51 2wsy n SER 168 N -3.26 2.00 0.08 0.00 2.88 -0.95 -4.21 113.62 110.16 2wsy n SER 168 Ca 0.02 0.22 -0.13 0.00 -1.33 0.00 0.00 58.87 57.64 2wsy n SER 168 Cb 0.78 -0.80 -0.13 0.00 -0.75 0.00 0.00 64.21 63.31 2wsy n SER 168 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 2wsy h TYR 169 N -0.38 0.30 -3.13 0.66 0.05 -1.01 -3.47 116.97 109.98 2wsy h TYR 169 Ca -0.48 -0.22 -0.40 0.00 0.05 0.00 0.00 58.73 57.69 2wsy h TYR 169 Cb 1.76 -0.01 0.21 0.00 1.01 0.00 0.00 36.73 39.70 2wsy h TYR 169 CO 0.05 1.18 -0.07 0.20 -1.05 0.00 0.00 178.16 178.48 2wsy s GLY 170 N -4.73 1.45 -0.14 3.88 0.00 -0.78 -4.78 107.32 102.22 2wsy s GLY 170 Ca -0.03 -0.71 -0.34 0.00 0.00 0.00 0.00 44.72 43.65 2wsy s GLY 170 CO 0.86 0.24 1.24 -1.60 0.00 0.00 0.00 173.10 173.83 2wsy s ARG 171 N -4.99 0.33 0.00 2.90 6.06 -1.20 -4.86 118.95 117.18 2wsy s ARG 171 Ca 0.69 -0.14 0.00 0.00 -2.50 0.00 0.00 55.73 53.78 2wsy s ARG 171 Cb -0.15 0.14 0.00 0.00 0.06 0.00 0.00 34.95 35.00 2wsy s ARG 171 CO 0.59 -0.15 0.00 0.41 -2.50 0.00 0.00 175.30 173.65 2wsy n GLY 172 N -0.20 1.32 3.63 8.12 0.00 -1.26 -4.40 105.19 112.40 2wsy n GLY 172 Ca -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 2wsy n GLY 172 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wsy s TYR 173 N 0.00 -0.07 -0.06 1.61 -0.85 -1.26 -4.54 117.35 112.18 2wsy s TYR 173 Ca 0.00 0.11 -0.17 0.00 -0.52 0.00 0.00 57.07 56.49 2wsy s TYR 173 Cb 0.00 0.49 -0.05 0.00 0.38 0.00 0.00 41.96 42.78 2wsy s TYR 173 CO 0.00 -0.07 0.46 0.99 -1.52 0.00 0.00 175.55 175.40 2wsy s THR 174 N -1.23 5.08 -0.61 -3.49 2.01 -0.63 -4.63 115.64 112.14 2wsy s THR 174 Ca 0.08 0.93 -0.21 0.00 0.31 0.00 0.00 61.69 62.80 2wsy s THR 174 Cb -0.01 -3.78 0.08 0.00 0.01 0.00 0.00 72.50 68.80 2wsy s THR 174 CO -0.06 0.44 0.83 -0.47 -0.69 0.00 0.00 174.62 174.67 2wsy s TYR 175 N -0.18 2.84 0.37 4.92 6.14 -1.19 0.15 117.35 130.41 2wsy s TYR 175 Ca 0.25 -0.66 -0.01 0.00 0.64 0.00 0.00 57.07 57.28 2wsy s TYR 175 Cb -0.16 -4.09 0.08 0.00 0.42 0.00 0.00 41.96 38.20 2wsy s TYR 175 CO 0.12 -1.43 0.51 -0.11 0.64 0.00 0.00 175.55 175.28 2wsy n LEU 176 N 7.01 0.00 0.00 6.97 7.94 0.32 -0.04 117.00 139.21 2wsy n LEU 176 Ca -0.06 -0.97 0.00 0.00 -1.11 0.00 0.00 56.01 53.87 2wsy n LEU 176 Cb 0.44 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 44.05 2wsy n LEU 176 CO 0.61 -0.77 0.00 0.18 -1.11 0.00 0.00 177.39 176.29 2wsy n LEU 196 N 0.00 0.00 0.09 -1.96 4.77 -1.26 -4.56 117.00 114.08 2wsy n LEU 196 Ca 0.08 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.20 2wsy n LEU 196 Cb 0.29 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 42.02 2wsy n LEU 196 CO 0.20 0.00 1.14 0.40 -1.33 0.00 0.00 177.39 177.79 2wsy h ILE 197 N 0.00 0.86 0.18 -0.08 2.04 -1.97 1.14 117.51 119.68 2wsy h ILE 197 Ca 0.00 -0.02 -0.25 0.00 1.00 0.00 0.00 64.86 65.59 2wsy h ILE 197 Cb 0.00 0.81 0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2wsy h ILE 197 CO 0.00 0.01 -1.12 -0.33 0.00 0.00 0.00 178.15 176.71 2wsy h GLU 198 N 0.05 0.38 -0.22 2.37 3.07 -1.97 -2.93 114.58 115.33 2wsy h GLU 198 Ca 0.15 -0.64 -0.20 0.00 -0.50 0.00 0.00 59.36 58.17 2wsy h GLU 198 Cb 0.54 0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 2wsy h GLU 198 CO -0.01 1.31 -0.65 0.87 -1.40 0.00 0.00 179.01 179.13 2wsy h LYS 199 N -0.18 0.82 -0.19 2.33 1.79 -1.78 0.22 116.57 119.58 2wsy h LYS 199 Ca -0.20 -0.59 -0.02 0.00 -2.18 0.00 0.00 60.65 57.67 2wsy h LYS 199 Cb 1.84 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 32.58 2wsy h LYS 199 CO 0.18 1.21 0.05 -0.07 -1.08 0.00 0.00 179.45 179.74 2wsy h LEU 200 N 0.60 0.24 0.14 2.94 3.38 0.12 0.46 115.31 123.19 2wsy h LEU 200 Ca -0.02 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.71 2wsy h LEU 200 Cb 1.27 -0.06 0.03 0.00 0.09 0.00 0.00 40.66 41.98 2wsy h LEU 200 CO 0.14 0.25 -0.97 0.11 0.09 0.00 0.00 178.44 178.06 2wsy h LYS 201 N 0.27 0.40 -0.48 1.13 1.57 -1.31 0.60 116.57 118.76 2wsy h LYS 201 Ca 0.07 -0.62 0.04 0.00 -1.87 0.00 0.00 60.65 58.26 2wsy h LYS 201 Cb 0.10 0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 2wsy h LYS 201 CO -0.00 1.28 0.32 1.49 -0.57 0.00 0.00 179.45 181.97 2wsy h GLU 202 N -0.16 0.47 0.00 3.15 4.81 0.30 0.39 114.58 123.55 2wsy h GLU 202 Ca -0.16 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2wsy h GLU 202 Cb 1.73 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.01 2wsy h GLU 202 CO 0.18 0.31 -0.46 0.66 -0.73 0.00 0.00 179.01 178.98 2wsy n TYR 203 N -4.48 0.60 -2.40 0.92 4.01 0.15 -4.97 117.16 111.01 2wsy n TYR 203 Ca 0.06 0.17 -0.02 0.00 -0.16 0.00 0.00 57.90 57.95 2wsy n TYR 203 Cb 0.19 -0.70 0.01 0.00 -0.31 0.00 0.00 39.34 38.53 2wsy n TYR 203 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2wsy n HIS 204 N -2.10 -0.31 -3.08 -0.72 8.25 0.13 -4.79 115.22 112.60 2wsy n HIS 204 Ca 0.04 0.12 -0.39 0.00 -0.26 0.00 0.00 57.72 57.23 2wsy n HIS 204 Cb 0.43 -1.94 -0.05 0.00 1.12 0.00 0.00 29.99 29.54 2wsy n HIS 204 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wsy s ALA 205 N -3.04 3.44 0.21 -1.41 0.00 0.20 -4.81 121.76 116.35 2wsy s ALA 205 Ca 0.03 0.20 -0.28 0.00 0.00 0.00 0.00 51.96 51.91 2wsy s ALA 205 Cb -0.02 -2.87 -0.17 0.00 0.00 0.00 0.00 23.12 20.07 2wsy s ALA 205 CO 0.09 0.18 0.61 0.00 0.00 0.00 0.00 175.76 176.64 2wsy n ALA 206 N 2.42 -2.42 -0.58 0.00 0.00 -1.26 -4.46 120.51 114.22 2wsy n ALA 206 Ca -0.05 0.43 -0.27 0.00 0.00 0.00 0.00 53.44 53.55 2wsy n ALA 206 Cb 0.50 -1.68 -0.06 0.00 0.00 0.00 0.00 19.45 18.21 2wsy n ALA 206 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wsy n PRO 207 N 0.96 0.00 -2.06 0.00 -0.02 -1.26 -2.14 135.00 130.48 2wsy n PRO 207 Ca 0.17 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.24 2wsy n PRO 207 Cb 0.26 -0.69 -0.02 0.00 -0.02 0.00 0.00 33.50 33.03 2wsy n PRO 207 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wsy s ALA 208 N 2.78 3.56 -0.22 3.55 0.00 -1.26 -1.61 121.76 128.57 2wsy s ALA 208 Ca 0.55 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.83 2wsy s ALA 208 Cb -0.68 -3.52 0.05 0.00 0.00 0.00 0.00 23.12 18.96 2wsy s ALA 208 CO 0.30 -0.70 -0.12 -0.51 0.00 0.00 0.00 175.76 174.73 2wsy s LEU 209 N -1.08 2.71 0.10 0.00 2.01 0.41 -1.57 118.68 121.27 2wsy s LEU 209 Ca 0.54 -1.06 -0.31 0.00 0.01 0.00 0.00 54.13 53.31 2wsy s LEU 209 Cb -0.41 -1.39 -0.07 0.00 0.01 0.00 0.00 46.19 44.33 2wsy s LEU 209 CO 0.48 -0.14 1.33 -1.58 1.01 0.00 0.00 176.35 177.45 2wsy s GLN 210 N 1.27 4.36 -0.34 1.70 2.00 -0.77 -0.52 119.66 127.34 2wsy s GLN 210 Ca -0.03 1.98 -0.01 0.00 -2.00 0.00 0.00 55.36 55.30 2wsy s GLN 210 Cb -0.17 -3.28 0.12 0.00 0.80 0.00 0.00 33.01 30.48 2wsy s GLN 210 CO -0.08 -0.38 0.17 0.20 -0.50 0.00 0.00 175.29 174.70 2wsy s GLY 211 N 1.08 0.99 -0.73 2.59 0.00 -1.26 -0.17 107.32 109.81 2wsy s GLY 211 Ca 0.63 -1.78 -0.12 0.00 0.00 0.00 0.00 44.72 43.44 2wsy s GLY 211 CO 0.30 1.85 1.91 0.61 0.00 0.00 0.00 173.10 177.77 2wsy n GLY 213 N 4.43 2.65 3.26 0.20 0.00 -1.26 -4.82 105.19 109.66 2wsy n GLY 213 Ca 0.03 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 2wsy n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wsy s ILE 214 N 4.32 3.57 0.00 -0.61 1.09 -1.26 -4.89 121.20 123.42 2wsy s ILE 214 Ca 0.44 -1.07 0.00 0.00 -1.10 0.00 0.00 60.65 58.91 2wsy s ILE 214 Cb 0.11 -2.97 0.00 0.00 -1.06 0.00 0.00 42.46 38.54 2wsy s ILE 214 CO 0.04 -0.07 0.00 -1.20 -0.10 0.00 0.00 174.94 173.61 2wsy n SER 215 N 4.77 1.36 -4.22 3.58 7.64 -1.26 -4.54 113.62 120.95 2wsy n SER 215 Ca -0.13 -0.08 -0.24 0.00 1.01 0.00 0.00 58.87 59.42 2wsy n SER 215 Cb 0.45 0.44 -0.14 0.00 -1.01 0.00 0.00 64.21 63.96 2wsy n SER 215 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2wsy s SER 216 N -0.71 2.28 0.57 6.43 1.04 -1.26 -5.02 113.70 117.03 2wsy s SER 216 Ca 0.00 -0.50 0.32 0.00 0.48 0.00 0.00 55.95 56.25 2wsy s SER 216 Cb 0.00 -0.18 1.45 0.00 0.10 0.00 0.00 66.02 67.38 2wsy s SER 216 CO 0.00 0.13 1.79 -0.65 0.98 0.00 0.00 173.24 175.49 2wsy h PRO 217 N 4.91 0.00 -0.56 4.02 0.11 -1.91 0.71 132.00 139.28 2wsy h PRO 217 Ca -0.41 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 2wsy h PRO 217 Cb 1.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2wsy h PRO 217 CO 0.44 0.00 0.24 1.05 -0.21 0.00 0.00 178.00 179.52 2wsy h GLU 218 N 0.00 0.82 -0.33 1.05 4.11 -1.96 -2.39 114.58 115.88 2wsy h GLU 218 Ca 0.42 -0.14 -0.12 0.00 0.07 0.00 0.00 59.36 59.60 2wsy h GLU 218 Cb 1.90 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 31.00 2wsy h GLU 218 CO -0.00 0.69 -0.28 -0.56 0.07 0.00 0.00 179.01 178.92 2wsy h GLN 219 N 0.76 0.68 0.30 1.06 3.07 -1.25 0.63 115.11 120.35 2wsy h GLN 219 Ca 0.19 -0.29 -0.01 0.00 0.09 0.00 0.00 58.65 58.63 2wsy h GLN 219 Cb 0.16 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.68 2wsy h GLN 219 CO -0.02 0.89 -0.34 0.28 0.09 0.00 0.00 178.83 179.72 2wsy h VAL 220 N 0.58 0.00 0.00 1.86 2.07 -1.26 0.84 116.25 120.34 2wsy h VAL 220 Ca 0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 2wsy h VAL 220 Cb 0.78 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2wsy h VAL 220 CO 0.06 0.00 -0.10 0.77 0.02 0.00 0.00 177.57 178.32 2wsy h SER 221 N -0.65 0.00 -0.33 0.57 4.64 -1.46 -2.20 113.55 114.11 2wsy h SER 221 Ca -0.04 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2wsy h SER 221 Cb 0.58 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 2wsy h SER 221 CO -0.07 0.10 0.18 0.00 -0.87 0.00 0.00 176.83 176.18 2wsy h ALA 222 N 1.90 0.41 0.19 5.18 0.00 0.07 -2.05 119.26 124.97 2wsy h ALA 222 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2wsy h ALA 222 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2wsy h ALA 222 CO 0.01 -0.18 -0.09 0.00 0.00 0.00 0.00 179.25 178.99 2wsy h ALA 223 N 1.16 -0.26 -0.78 0.00 0.00 -0.27 -0.68 119.26 118.43 2wsy h ALA 223 Ca 0.13 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.95 2wsy h ALA 223 Cb 0.02 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 17.80 2wsy h ALA 223 CO -0.08 -0.47 -0.52 0.28 0.00 0.00 0.00 179.25 178.47 2wsy h VAL 224 N -0.62 0.02 -0.40 0.00 2.07 -1.38 1.03 116.25 116.97 2wsy h VAL 224 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2wsy h VAL 224 Cb 0.45 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 2wsy h VAL 224 CO 0.04 0.00 0.25 -0.09 0.02 0.00 0.00 177.57 177.80 2wsy h ARG 225 N -0.14 0.54 -0.01 1.57 2.43 -1.39 -1.11 114.38 116.27 2wsy h ARG 225 Ca 0.17 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2wsy h ARG 225 Cb 0.51 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2wsy h ARG 225 CO -0.82 0.37 0.01 0.00 -1.51 0.00 0.00 179.97 178.02 2wsy h ALA 226 N 1.73 1.58 0.00 2.80 0.00 0.26 -3.45 119.26 122.19 2wsy h ALA 226 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2wsy h ALA 226 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wsy h ALA 226 CO -0.03 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.61 2wsy n GLY 227 N -1.35 1.52 3.75 0.00 0.00 -0.24 -4.98 105.19 103.90 2wsy n GLY 227 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2wsy n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsy s ALA 228 N -1.54 3.46 -1.72 4.61 0.00 -1.02 -4.89 121.76 120.66 2wsy s ALA 228 Ca 0.00 1.02 0.11 0.00 0.00 0.00 0.00 51.96 53.09 2wsy s ALA 228 Cb 0.00 -3.41 0.59 0.00 0.00 0.00 0.00 23.12 20.30 2wsy s ALA 228 CO 0.00 -0.39 1.16 0.00 0.00 0.00 0.00 175.76 176.53 2wsy n ALA 229 N 1.84 1.78 0.00 0.00 0.00 -0.61 -4.03 120.51 119.49 2wsy n ALA 229 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2wsy n ALA 229 Cb 0.44 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2wsy n ALA 229 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wsy n GLY 230 N -0.36 -1.85 3.15 0.00 0.00 -1.25 -1.39 105.19 103.49 2wsy n GLY 230 Ca 0.07 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 2wsy n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wsy s ALA 231 N -1.43 0.87 -0.07 4.61 0.00 0.96 -1.85 121.76 124.84 2wsy s ALA 231 Ca 0.00 -1.38 0.03 0.00 0.00 0.00 0.00 51.96 50.61 2wsy s ALA 231 Cb 0.00 0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.57 2wsy s ALA 231 CO 0.00 -0.36 -0.14 0.42 0.00 0.00 0.00 175.76 175.68 2wsy s ILE 232 N -3.83 1.27 -0.78 0.00 1.01 0.76 -1.28 121.20 118.36 2wsy s ILE 232 Ca 0.15 -0.57 -0.14 0.00 0.00 0.00 0.00 60.65 60.09 2wsy s ILE 232 Cb 0.07 -1.14 0.20 0.00 0.01 0.00 0.00 42.46 41.60 2wsy s ILE 232 CO -0.03 0.38 0.72 -0.55 0.00 0.00 0.00 174.94 175.46 2wsy s SER 233 N 0.56 6.65 0.00 3.58 0.15 -0.78 -4.31 113.70 119.55 2wsy s SER 233 Ca -0.14 -2.53 0.00 0.00 0.70 0.00 0.00 55.95 53.98 2wsy s SER 233 Cb -0.16 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 2wsy s SER 233 CO 0.04 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.47 2wsy n GLY 234 N 4.20 -2.87 0.49 9.45 0.00 -1.26 -2.12 105.19 113.08 2wsy n GLY 234 Ca 0.09 -0.49 0.28 0.00 0.00 0.00 0.00 46.02 45.90 2wsy n GLY 234 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wsy h SER 235 N 0.00 0.00 -0.77 1.61 4.64 -1.95 -2.55 113.55 114.53 2wsy h SER 235 Ca 0.00 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.52 2wsy h SER 235 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.95 2wsy h SER 235 CO 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 175.94 2wsy n ALA 236 N -2.40 0.36 0.03 5.18 0.00 -1.26 0.11 120.51 122.53 2wsy n ALA 236 Ca 0.19 0.83 -0.09 0.00 0.00 0.00 0.00 53.44 54.38 2wsy n ALA 236 Cb 1.19 -0.59 -0.13 0.00 0.00 0.00 0.00 19.45 19.91 2wsy n ALA 236 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2wsy h ILE 237 N 0.00 1.28 -0.85 0.00 -0.00 -1.62 -3.33 117.51 112.99 2wsy h ILE 237 Ca 0.45 -3.05 0.12 0.00 -0.00 0.00 0.00 64.86 62.39 2wsy h ILE 237 Cb 0.91 2.66 -0.06 0.00 -0.00 0.00 0.00 36.82 40.32 2wsy h ILE 237 CO -0.74 0.75 0.55 0.58 -0.00 0.00 0.00 178.15 179.29 2wsy h VAL 238 N 0.01 0.88 0.41 0.16 2.07 0.62 -2.30 116.25 118.10 2wsy h VAL 238 Ca -0.15 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 2wsy h VAL 238 Cb 1.90 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2wsy h VAL 238 CO 0.11 0.13 -0.19 0.11 0.02 0.00 0.00 177.57 177.75 2wsy h LYS 239 N 0.70 -0.52 -0.81 1.57 1.79 -1.40 -1.96 116.57 115.94 2wsy h LYS 239 Ca 0.41 0.04 0.23 0.00 -2.18 0.00 0.00 60.65 59.15 2wsy h LYS 239 Cb 0.60 0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.34 2wsy h LYS 239 CO -0.17 -0.33 0.80 0.82 -1.08 0.00 0.00 179.45 179.48 2wsy h ILE 240 N -0.58 0.25 0.00 1.86 2.04 -1.58 0.90 117.51 120.41 2wsy h ILE 240 Ca -0.06 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.59 2wsy h ILE 240 Cb 0.44 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 2wsy h ILE 240 CO 0.09 0.00 -1.12 0.40 0.00 0.00 0.00 178.15 177.52 2wsy h ILE 241 N 0.00 1.40 0.00 -0.67 2.04 -1.26 -3.33 117.51 115.68 2wsy h ILE 241 Ca 0.38 -3.10 0.00 0.00 1.00 0.00 0.00 64.86 63.15 2wsy h ILE 241 Cb 1.97 2.68 0.00 0.00 -0.74 0.00 0.00 36.82 40.73 2wsy h ILE 241 CO -0.00 0.80 -0.91 1.21 0.00 0.00 0.00 178.15 179.24 2wsy n GLU 242 N -3.25 0.25 -0.34 2.37 2.13 0.29 -3.36 120.64 118.72 2wsy n GLU 242 Ca -0.04 0.01 0.06 0.00 0.66 0.00 0.00 57.16 57.86 2wsy n GLU 242 Cb 0.94 -1.60 0.22 0.00 0.27 0.00 0.00 31.44 31.27 2wsy n GLU 242 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2wsy n LYS 243 N -1.92 2.49 -0.35 5.31 5.02 0.30 -3.73 118.16 125.28 2wsy n LYS 243 Ca 0.03 -1.74 0.00 0.00 -2.02 0.00 0.00 58.31 54.58 2wsy n LYS 243 Cb 0.42 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 2wsy n LYS 243 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wsy n ASN 244 N 0.69 0.00 -0.63 4.39 4.13 -1.25 -4.95 115.26 117.64 2wsy n ASN 244 Ca 0.16 -1.28 0.49 0.00 1.68 0.00 0.00 54.58 55.62 2wsy n ASN 244 Cb 0.53 -0.06 0.78 0.00 -1.54 0.00 0.00 39.78 39.49 2wsy n ASN 244 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2wsy h LEU 245 N 0.00 0.07 -1.87 3.41 5.85 -1.64 1.50 115.31 122.63 2wsy h LEU 245 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2wsy h LEU 245 Cb 1.11 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.20 2wsy h LEU 245 CO 0.00 -0.09 0.00 0.00 -0.34 0.00 0.00 178.44 178.01 2wsy n ALA 246 N -2.78 2.46 -3.62 1.25 0.00 -1.26 -4.66 120.51 111.91 2wsy n ALA 246 Ca 0.43 -0.76 -0.27 0.00 0.00 0.00 0.00 53.44 52.84 2wsy n ALA 246 Cb 1.86 -0.91 -0.11 0.00 0.00 0.00 0.00 19.45 20.30 2wsy n ALA 246 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2wsy n SER 247 N 1.16 1.29 -3.91 0.00 7.64 0.51 -5.16 113.62 115.15 2wsy n SER 247 Ca 0.17 -2.81 -0.30 0.00 1.01 0.00 0.00 58.87 56.94 2wsy n SER 247 Cb 0.54 -0.65 -0.11 0.00 -1.01 0.00 0.00 64.21 62.98 2wsy n SER 247 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2wsy n PRO 248 N 2.31 0.03 0.00 1.43 -0.02 -1.26 -4.69 135.00 132.81 2wsy n PRO 248 Ca 0.25 -1.13 0.00 0.00 -2.02 0.00 0.00 63.50 60.60 2wsy n PRO 248 Cb 0.42 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 31.07 2wsy n PRO 248 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2wsy n MET 251 N 7.62 0.00 -0.14 -0.52 0.00 -1.26 -4.79 117.12 118.03 2wsy n MET 251 Ca 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 58.05 2wsy n MET 251 Cb 0.43 0.00 0.04 0.00 0.00 0.00 0.00 33.22 33.69 2wsy n MET 251 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2wsy h LEU 252 N 0.00 0.24 -1.14 -0.89 4.07 -1.93 -0.22 115.31 115.43 2wsy h LEU 252 Ca 0.00 0.04 0.08 0.00 0.08 0.00 0.00 57.88 58.08 2wsy h LEU 252 Cb 0.00 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.68 2wsy h LEU 252 CO 0.00 0.17 0.59 0.00 -1.08 0.00 0.00 178.44 178.13 2wsy h ALA 253 N 1.27 1.55 -0.67 1.53 0.00 -1.97 0.51 119.26 121.48 2wsy h ALA 253 Ca 0.20 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2wsy h ALA 253 Cb 0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2wsy h ALA 253 CO -0.18 0.29 0.17 1.49 0.00 0.00 0.00 179.25 181.02 2wsy h GLU 254 N 0.99 1.07 -0.45 0.00 4.81 -1.54 -1.72 114.58 117.73 2wsy h GLU 254 Ca 0.41 -0.25 -0.14 0.00 -0.13 0.00 0.00 59.36 59.25 2wsy h GLU 254 Cb 0.30 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2wsy h GLU 254 CO -0.17 0.95 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.73 2wsy h LEU 255 N 1.00 1.00 0.19 1.64 3.38 0.57 0.29 115.31 123.38 2wsy h LEU 255 Ca 0.21 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2wsy h LEU 255 Cb 0.35 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2wsy h LEU 255 CO 0.00 1.19 -0.40 0.03 0.09 0.00 0.00 178.44 179.35 2wsy h ARG 256 N 0.82 -0.62 0.78 1.13 3.08 0.38 -0.60 114.38 119.34 2wsy h ARG 256 Ca 0.10 0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 2wsy h ARG 256 Cb 0.84 0.14 0.01 0.00 0.08 0.00 0.00 29.97 31.04 2wsy h ARG 256 CO 0.07 -0.41 -0.38 0.66 -1.07 0.00 0.00 179.97 178.84 2wsy h SER 257 N -0.64 -0.90 -0.92 7.04 4.64 -1.33 0.63 113.55 122.07 2wsy h SER 257 Ca -0.02 0.03 0.22 0.00 -0.47 0.00 0.00 61.79 61.56 2wsy h SER 257 Cb 0.61 0.24 -0.17 0.00 -0.31 0.00 0.00 62.40 62.77 2wsy h SER 257 CO -0.17 -0.64 -0.05 0.15 -0.87 0.00 0.00 176.83 175.25 2wsy h PHE 258 N -1.05 -0.18 0.17 4.77 3.57 -0.88 0.36 116.94 123.70 2wsy h PHE 258 Ca -0.11 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 2wsy h PHE 258 Cb 0.81 0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.78 2wsy h PHE 258 CO -0.02 -0.38 -0.08 0.28 -2.23 0.00 0.00 178.31 175.87 2wsy h VAL 259 N 0.03 0.93 -0.74 1.41 2.07 -0.95 -2.30 116.25 116.70 2wsy h VAL 259 Ca 0.51 -0.93 0.14 0.00 0.82 0.00 0.00 66.70 67.24 2wsy h VAL 259 Cb 0.96 1.46 -0.14 0.00 -1.52 0.00 0.00 31.29 32.05 2wsy h VAL 259 CO -0.88 0.20 -0.27 0.28 0.02 0.00 0.00 177.57 176.93 2wsy h SER 260 N -0.72 -0.96 0.04 0.57 0.02 0.12 0.42 113.55 113.04 2wsy h SER 260 Ca -0.02 0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2wsy h SER 260 Cb 0.50 0.55 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 2wsy h SER 260 CO 0.04 -0.28 -0.04 0.00 -1.14 0.00 0.00 176.83 175.41 2wsy h ALA 261 N 1.46 -0.76 -0.94 3.77 0.00 -0.41 -0.39 119.26 121.99 2wsy h ALA 261 Ca 0.32 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.42 2wsy h ALA 261 Cb 0.57 0.32 -0.18 0.00 0.00 0.00 0.00 17.79 18.50 2wsy h ALA 261 CO -0.78 -0.76 -0.18 -1.33 0.00 0.00 0.00 179.25 176.20 2wsy n MET 262 N -2.54 -0.08 0.33 0.00 2.81 -0.61 -0.77 117.12 116.25 2wsy n MET 262 Ca -0.01 1.45 -0.17 0.00 -1.81 0.00 0.00 57.70 57.16 2wsy n MET 262 Cb 0.04 -2.20 -0.09 0.00 -0.71 0.00 0.00 33.22 30.26 2wsy n MET 262 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2wsy h LYS 263 N 0.00 -0.83 -1.03 0.03 1.63 0.07 -2.59 116.57 113.85 2wsy h LYS 263 Ca 0.48 0.06 0.27 0.00 -0.85 0.00 0.00 60.65 60.60 2wsy h LYS 263 Cb 0.79 0.19 -0.12 0.00 -0.60 0.00 0.00 32.23 32.50 2wsy h LYS 263 CO -0.95 -0.56 0.63 0.00 -3.45 0.00 0.00 179.45 175.12 2wsy h ALA 264 N -0.50 1.99 0.00 5.00 0.00 0.80 0.45 119.26 127.01 2wsy h ALA 264 Ca -0.07 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2wsy h ALA 264 Cb 0.69 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2wsy h ALA 264 CO 0.08 -0.46 -0.07 0.00 0.00 0.00 0.00 179.25 178.80 2wsy h ALA 265 N 1.70 1.56 0.08 0.00 0.00 -0.93 -2.27 119.26 119.41 2wsy h ALA 265 Ca 0.65 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 55.24 2wsy h ALA 265 Cb 1.42 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2wsy h ALA 265 CO -0.43 0.09 -1.15 0.66 0.00 0.00 0.00 179.25 178.42 2wsy h SER 266 N 0.00 0.30 -0.86 0.00 4.64 0.02 -3.30 113.55 114.34 2wsy h SER 266 Ca -0.00 -0.31 -0.39 0.00 -0.47 0.00 0.00 61.79 60.62 2wsy h SER 266 Cb 0.16 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 2wsy h SER 266 CO 0.01 1.23 1.44 0.54 -0.87 0.00 0.00 176.83 179.18 2wsy n ARG 267 N -3.49 0.61 -0.59 4.77 1.74 -0.85 -1.76 116.66 117.08 2wsy n ARG 267 Ca -0.06 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 2wsy n ARG 267 Cb 0.98 -2.79 0.00 0.00 -1.02 0.00 0.00 32.46 29.63 2wsy n ARG 267 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11