#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cw2 n SER 3 N 0.00 0.00 -4.57 6.43 7.64 -1.26 -4.95 113.62 116.91 3cw2 n SER 3 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 3cw2 n SER 3 Cb 0.00 0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.19 3cw2 n SER 3 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3cw2 s GLU 4 N -0.36 3.67 0.00 1.43 2.12 -1.26 -3.87 118.70 120.42 3cw2 s GLU 4 Ca 0.00 0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.42 3cw2 s GLU 4 Cb 0.00 -3.82 0.00 0.00 0.26 0.00 0.00 34.13 30.57 3cw2 s GLU 4 CO 0.00 -0.78 0.00 1.17 -0.54 0.00 0.00 175.26 175.11 3cw2 n LYS 5 N 6.16 -0.05 -0.21 4.30 4.81 -1.26 -4.80 118.16 127.12 3cw2 n LYS 5 Ca -0.00 0.01 0.11 0.00 -0.87 0.00 0.00 58.31 57.56 3cw2 n LYS 5 Cb 0.48 -2.88 0.22 0.00 0.02 0.00 0.00 35.03 32.88 3cw2 n LYS 5 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3cw2 n GLU 6 N -2.06 2.50 0.23 1.64 4.71 -1.25 -4.18 120.64 122.22 3cw2 n GLU 6 Ca 0.00 -2.30 0.15 0.00 -0.01 0.00 0.00 57.16 54.99 3cw2 n GLU 6 Cb 0.01 -1.50 0.47 0.00 -1.01 0.00 0.00 31.44 29.41 3cw2 n GLU 6 CO 0.00 0.00 0.00 -0.92 0.09 0.00 0.00 177.13 176.30 3cw2 h TYR 7 N 4.28 0.00 0.62 -0.32 3.20 -1.87 -3.32 116.97 119.56 3cw2 h TYR 7 Ca 0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3cw2 h TYR 7 Cb 0.96 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.24 3cw2 h TYR 7 CO 0.27 0.00 -0.30 -0.24 -1.64 0.00 0.00 178.16 176.25 3cw2 h VAL 8 N 0.00 0.23 0.00 1.81 3.04 -1.95 -2.38 116.25 117.00 3cw2 h VAL 8 Ca 0.00 -0.31 -0.05 0.00 -1.01 0.00 0.00 66.70 65.33 3cw2 h VAL 8 Cb 0.67 0.30 -0.01 0.00 -2.01 0.00 0.00 31.29 30.24 3cw2 h VAL 8 CO 0.00 0.03 -0.25 1.05 -1.01 0.00 0.00 177.57 177.39 3cw2 h GLU 9 N -1.08 0.00 -0.01 4.17 9.09 -1.88 0.95 114.58 125.82 3cw2 h GLU 9 Ca -0.09 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.32 3cw2 h GLU 9 Cb 0.69 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.79 3cw2 h GLU 9 CO 0.14 0.25 0.00 -1.33 0.05 0.00 0.00 179.01 178.12 3cw2 n MET 10 N -3.61 1.24 -0.06 1.06 2.81 -1.22 -2.13 117.12 115.22 3cw2 n MET 10 Ca -0.01 -0.34 -0.08 0.00 -1.81 0.00 0.00 57.70 55.45 3cw2 n MET 10 Cb 0.38 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.35 3cw2 n MET 10 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3cw2 n LEU 11 N -0.58 2.90 0.26 4.03 7.94 -0.37 -4.29 117.00 126.89 3cw2 n LEU 11 Ca 0.22 -0.06 0.15 0.00 -1.11 0.00 0.00 56.01 55.20 3cw2 n LEU 11 Cb 0.20 -0.41 0.65 0.00 0.53 0.00 0.00 43.42 44.38 3cw2 n LEU 11 CO 0.17 0.69 0.94 0.44 -1.11 0.00 0.00 177.39 178.53 3cw2 h ASP 12 N 0.00 0.00 1.57 1.96 3.32 -0.95 -0.83 116.42 121.49 3cw2 h ASP 12 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3cw2 h ASP 12 Cb 1.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.98 3cw2 h ASP 12 CO -0.04 0.09 0.00 -0.09 -1.72 0.00 0.00 179.24 177.48 3cw2 h ARG 13 N 0.00 0.00 0.09 3.56 2.43 -1.66 -3.14 114.38 115.67 3cw2 h ARG 13 Ca -0.00 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.86 3cw2 h ARG 13 Cb 0.54 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 3cw2 h ARG 13 CO 0.01 0.00 -1.59 1.25 -1.51 0.00 0.00 179.97 178.13 3cw2 h LEU 14 N 0.00 0.30 -1.56 3.80 6.46 -1.35 -3.23 115.31 119.73 3cw2 h LEU 14 Ca 0.00 -0.47 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 3cw2 h LEU 14 Cb 0.79 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.62 3cw2 h LEU 14 CO 0.00 1.40 0.00 -1.22 -0.62 0.00 0.00 178.44 178.00 3cw2 n TYR 15 N -3.38 0.56 -0.03 1.25 4.01 -0.93 -1.20 117.16 117.45 3cw2 n TYR 15 Ca -0.17 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.36 3cw2 n TYR 15 Cb 1.04 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.90 3cw2 n TYR 15 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3cw2 n SER 16 N 0.19 0.30 -0.05 7.72 3.41 -1.19 -4.41 113.62 119.58 3cw2 n SER 16 Ca 0.08 -0.64 -0.07 0.00 -0.26 0.00 0.00 58.87 57.99 3cw2 n SER 16 Cb 0.46 0.62 -0.05 0.00 -0.26 0.00 0.00 64.21 64.98 3cw2 n SER 16 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3cw2 n LYS 17 N -0.62 0.56 -0.04 4.33 5.02 -1.09 -4.81 118.16 121.51 3cw2 n LYS 17 Ca 0.00 0.06 -0.10 0.00 -2.02 0.00 0.00 58.31 56.25 3cw2 n LYS 17 Cb 0.01 -1.22 -0.09 0.00 -0.02 0.00 0.00 35.03 33.71 3cw2 n LYS 17 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3cw2 h LEU 18 N 0.00 -0.04 -5.53 -0.35 5.85 -1.44 -3.39 115.31 110.42 3cw2 h LEU 18 Ca -0.25 -0.61 -0.44 0.00 0.84 0.00 0.00 57.88 57.42 3cw2 h LEU 18 Cb 1.40 0.01 0.02 0.00 0.37 0.00 0.00 40.66 42.46 3cw2 h LEU 18 CO -0.03 0.73 2.70 -2.65 -0.34 0.00 0.00 178.44 178.85 3cw2 n PRO 19 N -4.72 2.18 0.00 5.25 -0.02 -1.26 -1.44 135.00 134.99 3cw2 n PRO 19 Ca -0.07 -1.59 0.00 0.00 -2.02 0.00 0.00 63.50 59.82 3cw2 n PRO 19 Cb 0.31 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 3cw2 n PRO 19 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3cw2 n GLU 20 N 4.50 0.00 0.00 -0.52 1.02 -1.26 -4.93 120.64 119.45 3cw2 n GLU 20 Ca 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 3cw2 n GLU 20 Cb 0.17 -0.42 0.00 0.00 -0.02 0.00 0.00 31.44 31.18 3cw2 n GLU 20 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3cw2 n LYS 21 N -0.53 0.11 0.07 3.49 2.85 -1.17 -4.85 118.16 118.14 3cw2 n LYS 21 Ca 0.00 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.07 3cw2 n LYS 21 Cb 0.00 -0.01 -0.15 0.00 -0.65 0.00 0.00 35.03 34.23 3cw2 n LYS 21 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 3cw2 h GLY 22 N 0.00 0.36 1.95 2.58 0.00 -1.54 -3.28 103.07 103.14 3cw2 h GLY 22 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 46.41 3cw2 h GLY 22 CO 0.00 0.81 -0.03 -2.13 0.00 0.00 0.00 176.54 175.18 3cw2 n ARG 23 N -3.51 0.10 -2.60 4.80 0.63 -0.61 -4.64 116.66 110.83 3cw2 n ARG 23 Ca -0.19 0.08 -0.42 0.00 -0.92 0.00 0.00 57.85 56.40 3cw2 n ARG 23 Cb 1.06 -1.62 -0.01 0.00 0.45 0.00 0.00 32.46 32.34 3cw2 n ARG 23 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3cw2 s LYS 24 N -3.04 3.81 -0.38 -0.14 -0.14 -1.24 -4.94 119.74 113.68 3cw2 s LYS 24 Ca 0.12 -1.65 -0.10 0.00 -1.36 0.00 0.00 55.97 52.99 3cw2 s LYS 24 Cb 0.16 -5.42 0.03 0.00 -1.68 0.00 0.00 37.83 30.93 3cw2 s LYS 24 CO 0.56 -2.19 0.20 -1.21 -0.76 0.00 0.00 175.35 171.95 3cw2 s GLU 25 N 4.35 2.77 -0.24 1.68 2.02 -1.26 -4.97 118.70 123.05 3cw2 s GLU 25 Ca 0.49 -1.14 -0.37 0.00 0.02 0.00 0.00 54.97 53.97 3cw2 s GLU 25 Cb 0.02 -3.71 0.16 0.00 0.10 0.00 0.00 34.13 30.70 3cw2 s GLU 25 CO -0.01 -0.73 1.40 0.20 0.02 0.00 0.00 175.26 176.15 3cw2 s GLY 26 N 1.59 -0.28 -0.83 -1.39 0.00 -1.26 -5.09 107.32 100.05 3cw2 s GLY 26 Ca 0.01 1.66 -0.26 0.00 0.00 0.00 0.00 44.72 46.14 3cw2 s GLY 26 CO 0.06 0.51 1.41 -1.59 0.00 0.00 0.00 173.10 173.49 3cw2 s THR 27 N -2.02 3.75 0.16 0.90 2.01 -1.26 -4.98 115.64 114.19 3cw2 s THR 27 Ca 0.13 -0.02 0.10 0.00 0.31 0.00 0.00 61.69 62.21 3cw2 s THR 27 Cb 0.01 -4.85 -0.04 0.00 0.01 0.00 0.00 72.50 67.63 3cw2 s THR 27 CO -0.03 -1.77 -0.19 -1.10 -0.69 0.00 0.00 174.62 170.83 3cw2 s GLN 28 N 5.65 1.73 -0.93 4.92 -1.52 -1.26 -4.80 119.66 123.44 3cw2 s GLN 28 Ca 0.42 -1.34 -0.07 0.00 -1.95 0.00 0.00 55.36 52.42 3cw2 s GLN 28 Cb -0.06 -2.01 -0.02 0.00 -0.22 0.00 0.00 33.01 30.70 3cw2 s GLN 28 CO 0.07 0.44 0.77 0.43 -0.25 0.00 0.00 175.29 176.74 3cw2 n SER 29 N 0.42 -6.51 -4.59 5.90 7.64 -1.26 -4.86 113.62 110.36 3cw2 n SER 29 Ca -0.13 -0.59 -0.42 0.00 1.01 0.00 0.00 58.87 58.73 3cw2 n SER 29 Cb 0.55 -4.33 -0.03 0.00 -1.01 0.00 0.00 64.21 59.39 3cw2 n SER 29 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3cw2 s LEU 30 N -5.12 3.49 -0.14 -3.43 1.98 -1.26 -4.87 118.68 109.32 3cw2 s LEU 30 Ca 0.24 0.87 -0.13 0.00 -2.89 0.00 0.00 54.13 52.22 3cw2 s LEU 30 Cb -0.06 -3.33 -0.24 0.00 0.66 0.00 0.00 46.19 43.22 3cw2 s LEU 30 CO 0.79 -1.71 0.36 -0.65 -1.89 0.00 0.00 176.35 173.26 3cw2 h PRO 31 N 12.17 0.19 -6.05 0.98 0.11 -1.99 -3.47 132.00 133.94 3cw2 h PRO 31 Ca -0.30 -0.32 -0.56 0.00 0.11 0.00 0.00 66.00 64.93 3cw2 h PRO 31 Cb 1.14 0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 3cw2 h PRO 31 CO 1.10 1.15 0.07 0.54 -0.21 0.00 0.00 178.00 180.65 3cw2 s ASN 32 N -7.00 6.99 -0.32 -2.05 4.22 -1.26 -4.99 114.94 110.53 3cw2 s ASN 32 Ca -0.24 1.19 -0.10 0.00 -2.14 0.00 0.00 52.86 51.57 3cw2 s ASN 32 Cb 0.06 -2.41 0.19 0.00 1.28 0.00 0.00 41.25 40.37 3cw2 s ASN 32 CO 0.72 -0.08 1.08 -0.32 -2.04 0.00 0.00 177.10 176.46 3cw2 s MET 33 N 0.63 0.13 0.02 3.55 1.75 -1.26 -5.15 119.30 118.97 3cw2 s MET 33 Ca 0.36 -0.04 0.03 0.00 -1.25 0.00 0.00 55.69 54.79 3cw2 s MET 33 Cb -0.18 0.01 -0.04 0.00 2.84 0.00 0.00 34.83 37.47 3cw2 s MET 33 CO 0.18 -0.19 -0.02 0.42 -0.65 0.00 0.00 175.02 174.77 3cw2 s ILE 34 N 1.94 3.98 0.76 10.11 1.09 -1.26 -5.04 121.20 132.78 3cw2 s ILE 34 Ca 0.15 -0.74 -0.09 0.00 -1.10 0.00 0.00 60.65 58.86 3cw2 s ILE 34 Cb 0.04 -2.79 0.07 0.00 -1.06 0.00 0.00 42.46 38.71 3cw2 s ILE 34 CO -0.15 0.32 1.10 -0.63 -0.10 0.00 0.00 174.94 175.47 3cw2 s ILE 35 N -1.12 2.19 -1.03 2.92 1.01 -1.26 -4.97 121.20 118.94 3cw2 s ILE 35 Ca 0.20 -0.11 -0.23 0.00 0.00 0.00 0.00 60.65 60.51 3cw2 s ILE 35 Cb -0.11 -3.02 0.04 0.00 0.01 0.00 0.00 42.46 39.38 3cw2 s ILE 35 CO 0.11 -0.02 1.52 -0.22 0.00 0.00 0.00 174.94 176.33 3cw2 s LEU 36 N -5.41 3.49 -0.42 2.97 0.20 -1.26 -4.85 118.68 113.40 3cw2 s LEU 36 Ca 0.61 -1.46 0.06 0.00 0.69 0.00 0.00 54.13 54.03 3cw2 s LEU 36 Cb -0.11 -2.57 0.17 0.00 -0.43 0.00 0.00 46.19 43.26 3cw2 s LEU 36 CO 0.47 -1.61 0.55 0.21 -0.29 0.00 0.00 176.35 175.68 3cw2 s ASN 37 N 5.22 -0.48 0.00 3.68 3.04 -1.26 -4.98 114.94 120.17 3cw2 s ASN 37 Ca 0.49 -1.38 0.00 0.00 0.04 0.00 0.00 52.86 52.01 3cw2 s ASN 37 Cb -0.00 1.35 0.00 0.00 -1.54 0.00 0.00 41.25 41.06 3cw2 s ASN 37 CO -0.08 -0.17 0.00 -0.38 -3.04 0.00 0.00 177.10 173.43 3cw2 n ILE 38 N 3.96 0.00 0.12 -5.21 -0.00 -1.24 -4.48 119.36 112.51 3cw2 n ILE 38 Ca 0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 62.75 62.76 3cw2 n ILE 38 Cb 0.52 -0.41 -0.06 0.00 -0.00 0.00 0.00 39.64 39.69 3cw2 n ILE 38 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 3cw2 h GLY 39 N 0.00 -0.33 0.41 7.39 0.00 -1.93 -3.20 103.07 105.40 3cw2 h GLY 39 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 3cw2 h GLY 39 CO 0.00 -0.16 -0.28 3.43 0.00 0.00 0.00 176.54 179.54 3cw2 h ASN 40 N -0.34 -0.72 -4.55 0.19 4.21 -1.97 -3.45 115.58 108.95 3cw2 h ASN 40 Ca 0.00 0.04 -0.26 0.00 1.21 0.00 0.00 56.30 57.30 3cw2 h ASN 40 Cb 0.33 0.22 -0.23 0.00 -1.12 0.00 0.00 38.32 37.51 3cw2 h ASN 40 CO -0.04 -0.41 -0.73 0.42 -1.29 0.00 0.00 177.43 175.37 3cw2 s THR 41 N -4.61 0.40 -1.08 2.81 -4.23 -1.21 -5.09 115.64 102.63 3cw2 s THR 41 Ca -0.10 -0.79 -0.04 0.00 -1.18 0.00 0.00 61.69 59.57 3cw2 s THR 41 Cb 0.02 -0.45 0.31 0.00 1.34 0.00 0.00 72.50 73.72 3cw2 s THR 41 CO 0.33 -0.27 1.52 0.35 -0.54 0.00 0.00 174.62 176.01 3cw2 n THR 42 N 1.91 5.39 -4.02 3.99 -2.24 -1.22 -3.65 114.28 114.45 3cw2 n THR 42 Ca -0.20 -5.92 -0.08 0.00 -2.27 0.00 0.00 64.05 55.58 3cw2 n THR 42 Cb 0.56 -2.04 -0.09 0.00 -2.10 0.00 0.00 70.33 66.65 3cw2 n THR 42 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3cw2 s ILE 43 N -2.85 0.19 0.03 2.28 -4.36 -1.26 -1.15 121.20 114.07 3cw2 s ILE 43 Ca 0.32 -1.55 -0.17 0.00 -0.26 0.00 0.00 60.65 58.99 3cw2 s ILE 43 Cb 0.06 -1.34 -0.06 0.00 1.25 0.00 0.00 42.46 42.37 3cw2 s ILE 43 CO 0.09 -0.86 0.49 -0.63 0.24 0.00 0.00 174.94 174.28 3cw2 s ILE 44 N -3.63 4.89 0.22 8.37 1.01 -1.10 -4.95 121.20 126.01 3cw2 s ILE 44 Ca 0.04 1.04 -0.14 0.00 0.00 0.00 0.00 60.65 61.59 3cw2 s ILE 44 Cb 0.05 -3.81 0.25 0.00 0.01 0.00 0.00 42.46 38.96 3cw2 s ILE 44 CO -0.09 0.55 1.61 0.08 0.00 0.00 0.00 174.94 177.10 3cw2 h ARG 45 N 4.72 -0.02 -2.22 2.79 0.11 -1.96 -3.36 114.38 114.44 3cw2 h ARG 45 Ca -0.50 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.57 3cw2 h ARG 45 Cb 1.21 0.01 -0.23 0.00 1.11 0.00 0.00 29.97 32.07 3cw2 h ARG 45 CO 0.63 -0.02 -0.15 -0.80 0.10 0.00 0.00 179.97 179.73 3cw2 s ASN 46 N -5.23 -0.79 0.00 0.08 0.02 -1.26 -4.72 114.94 103.04 3cw2 s ASN 46 Ca -0.14 1.32 0.00 0.00 -1.02 0.00 0.00 52.86 53.01 3cw2 s ASN 46 Cb 0.20 1.50 0.00 0.00 0.02 0.00 0.00 41.25 42.97 3cw2 s ASN 46 CO 0.74 -0.22 0.00 0.33 0.02 0.00 0.00 177.10 177.96 3cw2 n PHE 47 N 4.79 0.00 0.16 2.20 7.35 -1.00 -4.75 117.46 126.22 3cw2 n PHE 47 Ca -0.17 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.40 3cw2 n PHE 47 Cb 0.54 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.30 3cw2 n PHE 47 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3cw2 h ALA 48 N 0.00 -0.45 -0.14 3.13 0.00 -1.72 -2.93 119.26 117.14 3cw2 h ALA 48 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 3cw2 h ALA 48 Cb 0.95 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3cw2 h ALA 48 CO 0.00 -0.53 0.12 -1.91 0.00 0.00 0.00 179.25 176.93 3cw2 n GLU 49 N -5.12 1.24 0.00 0.00 2.13 -1.26 -3.73 120.64 113.91 3cw2 n GLU 49 Ca -0.09 -0.47 0.00 0.00 0.66 0.00 0.00 57.16 57.26 3cw2 n GLU 49 Cb 0.27 -1.19 0.00 0.00 0.27 0.00 0.00 31.44 30.80 3cw2 n GLU 49 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 3cw2 n TYR 50 N 1.16 0.00 0.37 4.31 9.36 -1.20 -4.84 117.16 126.31 3cw2 n TYR 50 Ca 0.09 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.45 3cw2 n TYR 50 Cb 0.52 0.45 0.54 0.00 -0.63 0.00 0.00 39.34 40.23 3cw2 n TYR 50 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3cw2 h ASP 52 N 0.00 0.00 -0.08 0.00 3.32 -1.71 -2.57 116.42 115.38 3cw2 h ASP 52 Ca 0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 3cw2 h ASP 52 Cb 0.43 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 3cw2 h ASP 52 CO 0.00 0.00 0.09 -0.09 -1.72 0.00 0.00 179.24 177.52 3cw2 h ARG 53 N 0.00 0.00 -1.08 3.56 2.43 -1.82 -3.16 114.38 114.30 3cw2 h ARG 53 Ca 0.00 0.00 -0.43 0.00 -0.81 0.00 0.00 59.98 58.74 3cw2 h ARG 53 Cb 0.01 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.15 3cw2 h ARG 53 CO 0.00 0.00 -1.02 0.44 -1.51 0.00 0.00 179.97 177.88 3cw2 n ILE 54 N -3.85 1.56 -1.43 1.20 -5.35 -0.97 -4.95 119.36 105.57 3cw2 n ILE 54 Ca -0.01 -3.71 -0.15 0.00 -0.27 0.00 0.00 62.75 58.61 3cw2 n ILE 54 Cb 0.19 0.01 -0.06 0.00 -1.74 0.00 0.00 39.64 38.03 3cw2 n ILE 54 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3cw2 n ARG 55 N -0.30 -1.61 -2.59 6.28 5.12 -1.19 -4.92 116.66 117.44 3cw2 n ARG 55 Ca 0.21 1.02 -0.43 0.00 -1.93 0.00 0.00 57.85 56.71 3cw2 n ARG 55 Cb 0.78 -5.43 -0.02 0.00 -1.16 0.00 0.00 32.46 26.63 3cw2 n ARG 55 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3cw2 s ARG 56 N -3.25 3.90 0.09 5.56 1.81 -1.20 -4.93 118.95 120.93 3cw2 s ARG 56 Ca 0.00 0.88 -0.30 0.00 -1.72 0.00 0.00 55.73 54.60 3cw2 s ARG 56 Cb 0.00 -3.83 -0.13 0.00 -0.45 0.00 0.00 34.95 30.54 3cw2 s ARG 56 CO 0.00 -1.13 1.63 0.93 -0.68 0.00 0.00 175.30 176.05 3cw2 h GLU 57 N 8.74 -0.62 0.00 3.54 3.07 -1.91 -3.35 114.58 124.05 3cw2 h GLU 57 Ca -0.22 0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 3cw2 h GLU 57 Cb 1.06 0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 3cw2 h GLU 57 CO 1.07 -0.41 0.00 -3.47 -1.40 0.00 0.00 179.01 174.80 3cw2 n ASP 58 N -5.41 -0.81 -2.04 1.42 2.03 -1.26 -4.92 116.55 105.55 3cw2 n ASP 58 Ca -0.10 0.49 -0.25 0.00 0.52 0.00 0.00 54.79 55.46 3cw2 n ASP 58 Cb 0.32 1.09 0.04 0.00 -0.72 0.00 0.00 41.12 41.84 3cw2 n ASP 58 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 3cw2 n LYS 59 N -2.93 3.40 -0.01 -0.67 2.85 -1.26 -4.58 118.16 114.96 3cw2 n LYS 59 Ca 0.00 -3.99 -0.05 0.00 -1.05 0.00 0.00 58.31 53.22 3cw2 n LYS 59 Cb 0.00 -2.26 -0.04 0.00 -0.65 0.00 0.00 35.03 32.08 3cw2 n LYS 59 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 177.40 178.32 3cw2 h ILE 60 N 1.94 0.41 -0.74 0.58 2.10 -1.94 -3.22 117.51 116.64 3cw2 h ILE 60 Ca 0.40 -1.20 -0.38 0.00 1.08 0.00 0.00 64.86 64.76 3cw2 h ILE 60 Cb 1.41 0.75 -0.23 0.00 -1.09 0.00 0.00 36.82 37.67 3cw2 h ILE 60 CO 0.89 0.13 0.48 0.00 -1.08 0.00 0.00 178.15 178.57 3cw2 n MET 62 N -0.70 0.26 0.02 0.00 1.56 -1.25 -3.95 117.12 113.05 3cw2 n MET 62 Ca 0.44 0.07 0.14 0.00 -0.27 0.00 0.00 57.70 58.08 3cw2 n MET 62 Cb 1.37 -1.14 0.55 0.00 2.15 0.00 0.00 33.22 36.15 3cw2 n MET 62 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 3cw2 n LYS 63 N -2.98 0.06 0.04 2.12 4.81 -1.22 -1.80 118.16 119.20 3cw2 n LYS 63 Ca -0.20 0.05 -0.14 0.00 -0.87 0.00 0.00 58.31 57.15 3cw2 n LYS 63 Cb 0.69 -1.57 -0.04 0.00 0.02 0.00 0.00 35.03 34.13 3cw2 n LYS 63 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 3cw2 h TYR 64 N 0.00 0.75 0.00 5.64 3.20 -1.76 -3.02 116.97 121.77 3cw2 h TYR 64 Ca 0.00 -0.38 0.00 0.00 3.14 0.00 0.00 58.73 61.49 3cw2 h TYR 64 Cb 0.55 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.73 3cw2 h TYR 64 CO 0.00 1.19 -0.15 1.28 -1.64 0.00 0.00 178.16 178.83 3cw2 n LEU 65 N -3.82 0.29 0.21 2.82 4.77 -1.09 -2.52 117.00 117.67 3cw2 n LEU 65 Ca -0.07 0.39 0.07 0.00 -0.03 0.00 0.00 56.01 56.37 3cw2 n LEU 65 Cb 0.80 -0.40 0.48 0.00 -2.33 0.00 0.00 43.42 41.98 3cw2 n LEU 65 CO 0.52 -0.01 0.81 0.25 -1.33 0.00 0.00 177.39 177.62 3cw2 h LEU 66 N 0.00 0.00 -3.42 2.23 6.46 -1.23 -2.49 115.31 116.87 3cw2 h LEU 66 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3cw2 h LEU 66 Cb 0.56 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 3cw2 h LEU 66 CO 0.00 0.28 0.00 0.29 -0.62 0.00 0.00 178.44 178.39 3cw2 n LYS 67 N -3.79 4.55 -0.00 1.25 5.02 -1.05 -3.83 118.16 120.31 3cw2 n LYS 67 Ca -0.01 -3.06 0.03 0.00 -2.02 0.00 0.00 58.31 53.24 3cw2 n LYS 67 Cb 0.37 -2.16 -0.04 0.00 -0.02 0.00 0.00 35.03 33.18 3cw2 n LYS 67 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3cw2 n GLU 68 N 0.79 3.63 0.00 1.97 -0.58 -0.94 -4.98 120.64 120.52 3cw2 n GLU 68 Ca 0.27 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 3cw2 n GLU 68 Cb 1.11 -0.91 0.00 0.00 -0.57 0.00 0.00 31.44 31.07 3cw2 n GLU 68 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3cw2 n LEU 69 N -1.31 0.00 0.00 -4.62 4.77 -1.22 -5.08 117.00 109.54 3cw2 n LEU 69 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3cw2 n LEU 69 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3cw2 n LEU 69 CO 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.20 3cw2 n ALA 70 N -2.72 0.00 -2.52 -1.18 0.00 -1.25 -5.09 120.51 107.75 3cw2 n ALA 70 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 3cw2 n ALA 70 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3cw2 n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cw2 s ALA 71 N -0.43 3.36 -0.18 0.00 0.00 -1.26 -4.95 121.76 118.31 3cw2 s ALA 71 Ca 0.00 0.22 0.28 0.00 0.00 0.00 0.00 51.96 52.46 3cw2 s ALA 71 Cb 0.00 -2.97 1.25 0.00 0.00 0.00 0.00 23.12 21.40 3cw2 s ALA 71 CO 0.00 0.01 1.84 -1.35 0.00 0.00 0.00 175.76 176.26 3cw2 h PRO 72 N 6.04 0.00 0.00 0.00 0.11 -1.90 -3.35 132.00 132.91 3cw2 h PRO 72 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3cw2 h PRO 72 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3cw2 h PRO 72 CO 0.72 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.92 3cw2 n GLY 73 N -0.27 -1.09 3.54 -0.55 0.00 -1.26 -4.54 105.19 101.02 3cw2 n GLY 73 Ca 0.01 -1.30 -0.10 0.00 0.00 0.00 0.00 46.02 44.64 3cw2 n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cw2 s ASN 74 N -4.00 -0.37 -1.22 1.61 4.22 -1.26 -4.91 114.94 109.00 3cw2 s ASN 74 Ca 0.00 0.21 -0.11 0.00 -2.14 0.00 0.00 52.86 50.81 3cw2 s ASN 74 Cb 0.00 0.35 0.18 0.00 1.28 0.00 0.00 41.25 43.06 3cw2 s ASN 74 CO 0.00 -0.49 1.56 0.52 -2.04 0.00 0.00 177.10 176.65 3cw2 n VAL 75 N 0.23 4.36 -1.44 3.54 0.31 -1.26 -4.51 118.33 119.56 3cw2 n VAL 75 Ca -0.10 -4.73 -0.35 0.00 -0.01 0.00 0.00 64.34 59.15 3cw2 n VAL 75 Cb 0.60 -2.42 0.10 0.00 -0.91 0.00 0.00 33.84 31.20 3cw2 n VAL 75 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3cw2 n ASP 76 N 4.64 1.52 0.28 4.52 2.03 -1.26 -4.89 116.55 123.38 3cw2 n ASP 76 Ca 0.36 0.72 0.18 0.00 0.52 0.00 0.00 54.79 56.57 3cw2 n ASP 76 Cb 0.40 -1.53 0.76 0.00 -0.72 0.00 0.00 41.12 40.04 3cw2 n ASP 76 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 3cw2 h ASP 77 N -0.13 0.00 0.10 1.67 2.03 -1.95 -2.94 116.42 115.20 3cw2 h ASP 77 Ca -0.49 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 55.52 3cw2 h ASP 77 Cb 1.32 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.81 3cw2 h ASP 77 CO 0.50 0.00 -1.52 0.11 -1.03 0.00 0.00 179.24 177.29 3cw2 h LYS 78 N 0.00 0.21 0.00 4.15 1.57 -2.01 -3.49 116.57 117.01 3cw2 h LYS 78 Ca 0.00 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3cw2 h LYS 78 Cb 0.42 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3cw2 h LYS 78 CO 0.00 1.17 0.00 0.41 -0.57 0.00 0.00 179.45 180.46 3cw2 n GLY 79 N 1.75 1.01 3.64 3.86 0.00 -1.11 -4.90 105.19 109.45 3cw2 n GLY 79 Ca -0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 3cw2 n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cw2 s GLU 80 N 0.00 4.10 -0.48 1.61 2.02 -1.26 -1.81 118.70 122.88 3cw2 s GLU 80 Ca 0.00 1.25 -0.28 0.00 0.02 0.00 0.00 54.97 55.96 3cw2 s GLU 80 Cb 0.00 -3.75 0.01 0.00 0.10 0.00 0.00 34.13 30.50 3cw2 s GLU 80 CO 0.00 -0.86 1.37 -1.17 0.02 0.00 0.00 175.26 174.62 3cw2 s LEU 81 N 3.68 3.53 -0.81 1.80 2.96 -1.26 -4.47 118.68 124.11 3cw2 s LEU 81 Ca 0.49 0.57 -0.24 0.00 -0.22 0.00 0.00 54.13 54.73 3cw2 s LEU 81 Cb -0.15 -3.38 0.06 0.00 0.50 0.00 0.00 46.19 43.22 3cw2 s LEU 81 CO 0.15 -1.50 1.23 -0.69 -1.32 0.00 0.00 176.35 174.21 3cw2 s VAL 82 N 5.48 4.03 -0.55 1.68 1.01 -1.26 -2.72 120.40 128.07 3cw2 s VAL 82 Ca 0.56 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.21 3cw2 s VAL 82 Cb -0.11 -4.88 0.14 0.00 0.00 0.00 0.00 36.38 31.53 3cw2 s VAL 82 CO 0.30 -1.74 0.39 -0.63 0.00 0.00 0.00 175.10 173.42 3cw2 s ILE 83 N 4.81 3.96 -1.08 2.22 1.01 -0.30 -4.20 121.20 127.63 3cw2 s ILE 83 Ca 0.34 -2.35 -0.23 0.00 0.00 0.00 0.00 60.65 58.41 3cw2 s ILE 83 Cb -0.08 -3.60 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 3cw2 s ILE 83 CO 0.05 -0.82 1.89 0.00 0.00 0.00 0.00 174.94 176.06 3cw2 s GLN 84 N 0.67 2.72 -0.18 2.79 -2.07 -1.26 -4.53 119.66 117.80 3cw2 s GLN 84 Ca 0.12 -0.91 -0.05 0.00 -1.82 0.00 0.00 55.36 52.70 3cw2 s GLN 84 Cb -0.22 -5.21 -0.03 0.00 -1.09 0.00 0.00 33.01 26.47 3cw2 s GLN 84 CO -0.03 -3.48 -0.00 0.20 -1.32 0.00 0.00 175.29 170.65 3cw2 s GLY 85 N 6.77 1.74 0.14 2.60 0.00 -1.26 -4.69 107.32 112.62 3cw2 s GLY 85 Ca 0.66 -0.90 0.24 0.00 0.00 0.00 0.00 44.72 44.71 3cw2 s GLY 85 CO 0.06 0.12 1.21 0.50 0.00 0.00 0.00 173.10 174.99 3cw2 h LYS 86 N 7.14 0.00 0.00 2.90 1.79 -1.99 -3.31 116.57 123.10 3cw2 h LYS 86 Ca -0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 3cw2 h LYS 86 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3cw2 h LYS 86 CO 0.63 0.00 -0.02 0.34 -1.08 0.00 0.00 179.45 179.31 3cw2 n PHE 87 N -2.26 0.00 -2.26 -1.35 7.35 -1.26 -4.93 117.46 112.75 3cw2 n PHE 87 Ca 0.02 -0.89 -0.33 0.00 -0.76 0.00 0.00 57.45 55.49 3cw2 n PHE 87 Cb 0.47 -0.13 -0.04 0.00 0.35 0.00 0.00 39.48 40.13 3cw2 n PHE 87 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 3cw2 s SER 88 N -2.57 5.69 -1.14 -2.13 0.01 -1.25 -4.88 113.70 107.44 3cw2 s SER 88 Ca 0.27 -1.72 -0.12 0.00 1.31 0.00 0.00 55.95 55.68 3cw2 s SER 88 Cb 0.23 -2.58 0.22 0.00 0.21 0.00 0.00 66.02 64.10 3cw2 s SER 88 CO 0.03 -2.35 1.26 -0.94 0.41 0.00 0.00 173.24 171.64 3cw2 s SER 89 N 5.94 7.16 -1.85 2.44 1.04 -1.26 -4.53 113.70 122.64 3cw2 s SER 89 Ca 0.62 -3.23 0.00 0.00 0.48 0.00 0.00 55.95 53.83 3cw2 s SER 89 Cb -0.00 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.81 3cw2 s SER 89 CO 0.08 -0.54 0.00 0.00 0.98 0.00 0.00 173.24 173.75 3cw2 n GLN 90 N 4.30 -1.61 -0.06 4.02 1.13 -1.26 -4.83 117.38 119.06 3cw2 n GLN 90 Ca 0.30 1.04 0.09 0.00 -1.94 0.00 0.00 57.00 56.48 3cw2 n GLN 90 Cb 0.41 -5.56 0.37 0.00 0.11 0.00 0.00 30.24 25.58 3cw2 n GLN 90 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 3cw2 n VAL 91 N -3.16 0.15 0.12 5.09 3.14 -1.26 -4.10 118.33 118.32 3cw2 n VAL 91 Ca -0.21 -0.22 -0.14 0.00 -2.96 0.00 0.00 64.34 60.81 3cw2 n VAL 91 Cb 0.66 0.10 -0.08 0.00 -1.06 0.00 0.00 33.84 33.47 3cw2 n VAL 91 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 3cw2 h ILE 92 N 1.27 0.85 0.00 1.55 2.04 -1.92 -2.75 117.51 118.55 3cw2 h ILE 92 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3cw2 h ILE 92 Cb 0.28 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3cw2 h ILE 92 CO 0.00 0.02 0.00 0.59 0.00 0.00 0.00 178.15 178.76 3cw2 n ASN 93 N -5.17 0.00 0.24 1.72 3.02 -1.26 -2.82 115.26 110.99 3cw2 n ASN 93 Ca -0.09 0.21 0.13 0.00 -0.03 0.00 0.00 54.58 54.80 3cw2 n ASN 93 Cb 0.14 -0.40 0.35 0.00 -0.61 0.00 0.00 39.78 39.26 3cw2 n ASN 93 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3cw2 h THR 94 N 0.00 0.05 0.00 3.41 2.02 -1.70 -3.08 112.91 113.62 3cw2 h THR 94 Ca 0.00 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.29 3cw2 h THR 94 Cb 0.38 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 3cw2 h THR 94 CO 0.00 0.03 -0.61 0.18 0.37 0.00 0.00 175.52 175.49 3cw2 n LEU 95 N -3.11 0.38 -0.18 2.58 4.77 -1.20 -4.42 117.00 115.82 3cw2 n LEU 95 Ca 0.03 -0.42 0.14 0.00 -0.03 0.00 0.00 56.01 55.72 3cw2 n LEU 95 Cb 0.46 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.27 3cw2 n LEU 95 CO 0.32 0.09 0.97 0.80 -1.33 0.00 0.00 177.39 178.25 3cw2 n MET 96 N -1.32 1.24 -0.00 3.23 1.56 -1.13 -3.33 117.12 117.37 3cw2 n MET 96 Ca 0.01 -0.36 0.01 0.00 -0.27 0.00 0.00 57.70 57.09 3cw2 n MET 96 Cb 0.16 -1.45 -0.01 0.00 2.15 0.00 0.00 33.22 34.08 3cw2 n MET 96 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 3cw2 n GLU 97 N -0.53 2.68 -2.02 2.12 1.02 -1.23 -4.85 120.64 117.83 3cw2 n GLU 97 Ca 0.20 -0.01 -0.37 0.00 -0.02 0.00 0.00 57.16 56.97 3cw2 n GLU 97 Cb 0.19 -0.84 -0.03 0.00 -0.02 0.00 0.00 31.44 30.74 3cw2 n GLU 97 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3cw2 s ARG 98 N -1.68 2.59 0.00 3.49 3.00 -1.21 -3.66 118.95 121.47 3cw2 s ARG 98 Ca -0.00 0.54 0.00 0.00 -1.00 0.00 0.00 55.73 55.27 3cw2 s ARG 98 Cb 0.01 -4.47 0.00 0.00 0.00 0.00 0.00 34.95 30.49 3cw2 s ARG 98 CO 0.04 -2.83 0.00 0.34 0.00 0.00 0.00 175.30 172.85 3cw2 n PHE 99 N 13.04 0.00 0.11 5.12 -0.00 -1.26 -5.03 117.46 129.44 3cw2 n PHE 99 Ca 0.23 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.71 3cw2 n PHE 99 Cb 0.52 0.00 0.42 0.00 -0.00 0.00 0.00 39.48 40.42 3cw2 n PHE 99 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 3cw2 h LEU 100 N 0.00 0.25 -4.48 -2.13 5.85 -1.95 -3.07 115.31 109.78 3cw2 h LEU 100 Ca 0.00 -0.04 -0.58 0.00 0.84 0.00 0.00 57.88 58.10 3cw2 h LEU 100 Cb 0.00 -0.06 -0.42 0.00 0.37 0.00 0.00 40.66 40.55 3cw2 h LEU 100 CO 0.00 0.34 -0.74 0.29 -0.34 0.00 0.00 178.44 177.98 3cw2 n LYS 101 N -4.34 3.41 0.00 1.25 5.02 -1.26 -4.67 118.16 117.57 3cw2 n LYS 101 Ca -0.00 -4.47 0.00 0.00 -2.02 0.00 0.00 58.31 51.81 3cw2 n LYS 101 Cb 0.21 -2.24 0.00 0.00 -0.02 0.00 0.00 35.03 32.98 3cw2 n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cw2 n ALA 102 N -0.49 0.73 0.03 7.82 0.00 -1.16 -4.72 120.51 122.71 3cw2 n ALA 102 Ca 0.39 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.63 3cw2 n ALA 102 Cb 0.68 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.99 3cw2 n ALA 102 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 3cw2 h TYR 103 N 0.00 0.45 -3.88 0.00 -0.00 -1.82 -3.46 116.97 108.27 3cw2 h TYR 103 Ca 0.00 -0.33 -0.22 0.00 0.00 0.00 0.00 58.73 58.18 3cw2 h TYR 103 Cb 0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 36.73 36.47 3cw2 h TYR 103 CO 0.00 1.32 -0.72 0.08 -0.00 0.00 0.00 178.16 178.84 3cw2 s VAL 104 N -2.41 0.16 -0.07 -0.90 1.01 -1.26 -4.64 120.40 112.29 3cw2 s VAL 104 Ca -0.16 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 3cw2 s VAL 104 Cb 0.01 -0.22 0.02 0.00 0.00 0.00 0.00 36.38 36.19 3cw2 s VAL 104 CO 0.80 -0.23 0.10 -0.62 0.00 0.00 0.00 175.10 175.15 3cw2 n GLU 105 N 2.28 -2.21 0.00 2.72 1.02 -1.25 -4.62 120.64 118.58 3cw2 n GLU 105 Ca -0.18 1.92 0.00 0.00 -0.02 0.00 0.00 57.16 58.88 3cw2 n GLU 105 Cb 0.57 -2.84 0.00 0.00 -0.02 0.00 0.00 31.44 29.15 3cw2 n GLU 105 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cw2 n SER 107 N 0.00 2.09 0.00 0.00 3.41 -1.26 -2.98 113.62 114.88 3cw2 n SER 107 Ca 0.00 -0.68 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 3cw2 n SER 107 Cb 0.00 -1.57 0.00 0.00 -0.26 0.00 0.00 64.21 62.38 3cw2 n SER 107 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3cw2 n THR 108 N 8.12 0.00 -3.93 6.66 5.66 -1.26 -4.86 114.28 124.68 3cw2 n THR 108 Ca 0.41 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 61.11 3cw2 n THR 108 Cb 0.50 -0.07 -0.16 0.00 -1.55 0.00 0.00 70.33 69.05 3cw2 n THR 108 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3cw2 n LYS 110 N 4.78 0.12 0.00 0.00 4.81 -1.26 -1.79 118.16 124.82 3cw2 n LYS 110 Ca -0.13 0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 3cw2 n LYS 110 Cb 0.46 -0.63 0.00 0.00 0.02 0.00 0.00 35.03 34.89 3cw2 n LYS 110 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3cw2 n SER 111 N -3.46 0.00 0.06 3.14 7.64 -1.26 -4.46 113.62 115.29 3cw2 n SER 111 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 3cw2 n SER 111 Cb 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 3cw2 n SER 111 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3cw2 n LEU 112 N -0.21 -0.41 0.00 -3.43 4.77 -1.26 -5.01 117.00 111.44 3cw2 n LEU 112 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3cw2 n LEU 112 Cb 0.00 0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3cw2 n LEU 112 CO 0.00 -0.52 0.00 0.47 -1.33 0.00 0.00 177.39 176.01 3cw2 n ASP 113 N -2.86 0.00 0.00 -1.43 9.92 -1.26 -5.12 116.55 115.79 3cw2 n ASP 113 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3cw2 n ASP 113 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3cw2 n ASP 113 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3cw2 n THR 114 N 0.00 0.00 -3.69 -3.53 -2.24 -1.26 -5.15 114.28 98.40 3cw2 n THR 114 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 3cw2 n THR 114 Cb 0.00 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 3cw2 n THR 114 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3cw2 s ILE 115 N 3.21 -0.00 0.00 2.28 2.07 -1.26 -4.90 121.20 122.59 3cw2 s ILE 115 Ca 0.00 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.26 3cw2 s ILE 115 Cb 0.00 -0.72 0.00 0.00 0.13 0.00 0.00 42.46 41.87 3cw2 s ILE 115 CO 0.00 0.01 0.00 0.18 -1.91 0.00 0.00 174.94 173.22 3cw2 n LEU 116 N 3.22 0.00 -4.10 8.50 4.77 -1.26 -4.82 117.00 123.32 3cw2 n LEU 116 Ca -0.16 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.72 3cw2 n LEU 116 Cb 0.56 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.58 3cw2 n LEU 116 CO 0.08 0.00 -0.04 -1.59 -1.33 0.00 0.00 177.39 174.52 3cw2 s LYS 117 N -0.07 1.36 0.00 3.23 -2.85 -1.26 -5.04 119.74 115.11 3cw2 s LYS 117 Ca 0.00 -1.44 0.00 0.00 -1.00 0.00 0.00 55.97 53.53 3cw2 s LYS 117 Cb 0.00 0.37 0.00 0.00 -2.06 0.00 0.00 37.83 36.14 3cw2 s LYS 117 CO 0.00 -0.51 0.00 1.17 0.10 0.00 0.00 175.35 176.11 3cw2 n LYS 118 N -0.32 0.00 0.00 1.78 3.00 -1.26 -4.85 118.16 116.51 3cw2 n LYS 118 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3cw2 n LYS 118 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.67 3cw2 n LYS 118 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3cw2 n GLU 119 N 0.00 2.33 0.00 1.64 -0.58 -1.24 -5.02 120.64 117.77 3cw2 n GLU 119 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3cw2 n GLU 119 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3cw2 n GLU 119 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3cw2 n LYS 120 N 0.00 0.00 -0.04 3.49 4.76 -1.26 -4.24 118.16 120.88 3cw2 n LYS 120 Ca 0.00 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3cw2 n LYS 120 Cb 0.00 -0.29 0.01 0.00 -1.84 0.00 0.00 35.03 32.91 3cw2 n LYS 120 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3cw2 n LYS 121 N -0.16 1.10 -4.46 1.97 4.76 -1.26 -4.78 118.16 115.34 3cw2 n LYS 121 Ca 0.00 -0.11 -0.20 0.00 -2.87 0.00 0.00 58.31 55.12 3cw2 n LYS 121 Cb 0.00 -1.32 -0.15 0.00 -1.84 0.00 0.00 35.03 31.71 3cw2 n LYS 121 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3cw2 s SER 122 N 0.37 1.28 -0.60 4.39 0.01 -1.26 -5.05 113.70 112.84 3cw2 s SER 122 Ca 0.02 -0.20 0.03 0.00 1.31 0.00 0.00 55.95 57.11 3cw2 s SER 122 Cb 0.02 -0.21 0.39 0.00 0.21 0.00 0.00 66.02 66.43 3cw2 s SER 122 CO 0.01 0.12 1.41 0.79 0.41 0.00 0.00 173.24 175.97 3cw2 n TRP 123 N 2.96 3.31 -3.16 2.43 8.01 -1.26 -3.64 117.44 126.08 3cw2 n TRP 123 Ca -0.15 -2.93 -0.10 0.00 -1.31 0.00 0.00 57.50 53.01 3cw2 n TRP 123 Cb 0.56 -0.51 0.01 0.00 -2.01 0.00 0.00 31.31 29.36 3cw2 n TRP 123 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 177.69 179.16 3cw2 n TYR 124 N -0.46 -1.56 -2.18 -5.99 0.18 -1.26 -4.81 117.16 101.07 3cw2 n TYR 124 Ca 0.43 0.67 0.00 0.00 1.88 0.00 0.00 57.90 60.88 3cw2 n TYR 124 Cb 0.49 -1.91 0.00 0.00 -0.38 0.00 0.00 39.34 37.54 3cw2 n TYR 124 CO 0.00 0.00 0.00 1.51 -2.08 0.00 0.00 176.86 176.29 3cw2 n ILE 125 N 0.73 0.00 -3.75 -3.48 3.06 -1.26 -4.29 119.36 110.36 3cw2 n ILE 125 Ca -0.01 0.00 -0.35 0.00 -2.50 0.00 0.00 62.75 59.88 3cw2 n ILE 125 Cb 0.46 0.00 -0.10 0.00 0.54 0.00 0.00 39.64 40.54 3cw2 n ILE 125 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 3cw2 s VAL 126 N 0.00 3.55 0.00 9.51 0.11 -1.26 -4.91 120.40 127.39 3cw2 s VAL 126 Ca 0.00 -3.04 0.00 0.00 -2.93 0.00 0.00 61.98 56.01 3cw2 s VAL 126 Cb 0.00 -3.33 0.00 0.00 -1.53 0.00 0.00 36.38 31.52 3cw2 s VAL 126 CO 0.00 -0.87 0.00 0.00 -3.33 0.00 0.00 175.10 170.90 3cw2 n LEU 128 N 0.00 0.00 0.00 0.00 -0.00 -1.26 -5.08 117.00 110.66 3cw2 n LEU 128 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3cw2 n LEU 128 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3cw2 n LEU 128 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 3cw2 n ALA 129 N 0.00 0.00 -0.16 1.96 0.00 -1.26 -4.78 120.51 116.27 3cw2 n ALA 129 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 53.44 53.27 3cw2 n ALA 129 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 3cw2 n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cw2 n GLY 131 N 0.12 -0.47 2.65 0.00 0.00 -1.26 -5.05 105.19 101.18 3cw2 n GLY 131 Ca 0.08 -1.10 -0.00 0.00 0.00 0.00 0.00 46.02 45.00 3cw2 n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cw2 n ALA 132 N 4.09 -3.47 -3.69 4.61 0.00 -1.26 -4.89 120.51 115.90 3cw2 n ALA 132 Ca 0.00 0.47 -0.19 0.00 0.00 0.00 0.00 53.44 53.72 3cw2 n ALA 132 Cb 0.00 -0.95 -0.17 0.00 0.00 0.00 0.00 19.45 18.33 3cw2 n ALA 132 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3cw2 s GLN 133 N -1.54 0.53 0.29 0.00 -2.07 -1.26 -5.09 119.66 110.51 3cw2 s GLN 133 Ca 0.00 0.03 -0.29 0.00 -1.82 0.00 0.00 55.36 53.28 3cw2 s GLN 133 Cb -0.00 -0.70 -0.13 0.00 -1.09 0.00 0.00 33.01 31.09 3cw2 s GLN 133 CO 0.74 -0.16 1.30 0.25 -1.32 0.00 0.00 175.29 176.11 3cw2 n THR 134 N 4.35 1.57 0.00 3.63 -2.24 -1.26 -4.94 114.28 115.39 3cw2 n THR 134 Ca -0.21 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3cw2 n THR 134 Cb 0.50 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 3cw2 n THR 134 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3cw2 n PRO 135 N 1.17 0.00 0.00 -0.78 -0.02 -1.26 -4.88 135.00 129.23 3cw2 n PRO 135 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3cw2 n PRO 135 Cb 0.34 -0.06 0.00 0.00 -0.02 0.00 0.00 33.50 33.75 3cw2 n PRO 135 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3cw2 n VAL 136 N 0.00 0.00 0.00 -1.45 0.31 -1.26 -4.82 118.33 111.11 3cw2 n VAL 136 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3cw2 n VAL 136 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3cw2 n VAL 136 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3cw2 n LYS 137 N 12.92 0.00 -3.08 5.55 4.81 -1.26 -5.08 118.16 132.01 3cw2 n LYS 137 Ca 0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 58.31 56.99 3cw2 n LYS 137 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 3cw2 n LYS 137 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3cw2 s PRO 138 N -0.79 3.37 0.00 1.64 0.02 -1.26 -4.98 135.00 133.01 3cw2 s PRO 138 Ca 0.00 -1.71 0.02 0.00 0.02 0.00 0.00 61.00 59.33 3cw2 s PRO 138 Cb 0.00 -4.53 0.02 0.00 0.02 0.00 0.00 34.50 30.01 3cw2 s PRO 138 CO 0.00 -1.58 0.57 1.28 -0.33 0.00 0.00 177.00 176.94