#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cwp s ALA 43 N 0.00 2.25 -0.20 7.82 0.00 -1.26 -5.09 121.76 125.28 1cwp s ALA 43 Ca 0.00 -1.09 -0.29 0.00 0.00 0.00 0.00 51.96 50.58 1cwp s ALA 43 Cb 0.00 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 1cwp s ALA 43 CO 0.00 0.52 1.23 0.42 0.00 0.00 0.00 175.76 177.93 1cwp s ILE 44 N -0.57 4.33 0.54 0.00 1.01 -1.26 -5.00 121.20 120.24 1cwp s ILE 44 Ca 0.09 1.58 -0.17 0.00 0.00 0.00 0.00 60.65 62.15 1cwp s ILE 44 Cb -0.11 -4.09 -0.06 0.00 0.01 0.00 0.00 42.46 38.21 1cwp s ILE 44 CO -0.00 -0.21 1.02 -0.54 0.00 0.00 0.00 174.94 175.20 1cwp s LYS 45 N 3.58 3.69 0.72 2.79 1.02 -1.26 -5.05 119.74 125.22 1cwp s LYS 45 Ca 0.53 1.10 -0.11 0.00 0.02 0.00 0.00 55.97 57.51 1cwp s LYS 45 Cb -0.19 -2.09 0.16 0.00 -0.52 0.00 0.00 37.83 35.19 1cwp s LYS 45 CO 0.15 -0.49 0.97 0.00 -0.92 0.00 0.00 175.35 175.06 1cwp n ALA 46 N -1.67 -0.96 -2.21 5.17 0.00 -1.26 -5.07 120.51 114.52 1cwp n ALA 46 Ca 0.08 -1.35 -0.26 0.00 0.00 0.00 0.00 53.44 51.91 1cwp n ALA 46 Cb 0.53 -0.02 0.02 0.00 0.00 0.00 0.00 19.45 19.98 1cwp n ALA 46 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1cwp s TRP 47 N -3.07 3.36 -0.02 0.00 0.51 -1.26 -5.00 118.94 113.46 1cwp s TRP 47 Ca 0.56 0.61 -0.30 0.00 -2.12 0.00 0.00 56.10 54.85 1cwp s TRP 47 Cb -0.02 -2.48 -0.05 0.00 -0.81 0.00 0.00 33.47 30.10 1cwp s TRP 47 CO 0.39 -0.52 1.48 0.99 -0.51 0.00 0.00 176.95 178.78 1cwp s THR 48 N -2.80 3.64 0.00 2.01 2.01 -1.26 -2.17 115.64 117.07 1cwp s THR 48 Ca 0.50 0.96 0.00 0.00 0.31 0.00 0.00 61.69 63.47 1cwp s THR 48 Cb -0.10 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.79 1cwp s THR 48 CO 0.43 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 1cwp n GLY 49 N 3.80 2.99 3.74 4.40 0.00 -1.26 -5.02 105.19 113.86 1cwp n GLY 49 Ca 0.15 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 1cwp n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cwp s TYR 50 N -0.29 3.77 0.26 1.61 1.51 -0.92 -0.44 117.35 122.86 1cwp s TYR 50 Ca 0.00 1.77 0.12 0.00 -1.01 0.00 0.00 57.07 57.95 1cwp s TYR 50 Cb 0.00 -3.13 -0.05 0.00 -0.11 0.00 0.00 41.96 38.67 1cwp s TYR 50 CO 0.00 -0.06 -0.20 -1.54 -1.11 0.00 0.00 175.55 172.64 1cwp s SER 51 N -0.58 3.60 -0.19 2.29 1.04 -0.60 -4.05 113.70 115.20 1cwp s SER 51 Ca 0.45 -0.99 -0.08 0.00 0.48 0.00 0.00 55.95 55.81 1cwp s SER 51 Cb -0.27 -0.31 -0.04 0.00 0.10 0.00 0.00 66.02 65.49 1cwp s SER 51 CO 0.34 0.05 0.09 -0.69 0.98 0.00 0.00 173.24 174.01 1cwp s VAL 52 N -2.36 4.99 -0.13 5.02 1.01 -1.26 -1.89 120.40 125.78 1cwp s VAL 52 Ca 0.28 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.28 1cwp s VAL 52 Cb -0.06 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1cwp s VAL 52 CO 0.14 0.45 -0.03 -0.44 0.00 0.00 0.00 175.10 175.22 1cwp s SER 53 N 0.42 4.86 -0.06 3.32 0.01 -0.53 -4.95 113.70 116.77 1cwp s SER 53 Ca 0.05 -0.07 0.04 0.00 1.31 0.00 0.00 55.95 57.28 1cwp s SER 53 Cb -0.12 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.46 1cwp s SER 53 CO -0.00 0.23 -0.18 -0.54 0.41 0.00 0.00 173.24 173.16 1cwp s LYS 54 N 0.00 2.05 0.11 12.44 1.02 -1.26 -0.38 119.74 133.72 1cwp s LYS 54 Ca 0.01 -0.64 -0.12 0.00 0.02 0.00 0.00 55.97 55.25 1cwp s LYS 54 Cb -0.13 -1.70 0.01 0.00 -0.52 0.00 0.00 37.83 35.49 1cwp s LYS 54 CO 0.03 0.19 0.28 1.67 -0.92 0.00 0.00 175.35 176.60 1cwp s TRP 55 N 0.22 0.02 0.32 3.18 -2.14 -0.60 -5.01 118.94 114.93 1cwp s TRP 55 Ca -0.09 -0.41 0.09 0.00 2.66 0.00 0.00 56.10 58.35 1cwp s TRP 55 Cb -0.14 0.07 -0.05 0.00 -3.10 0.00 0.00 33.47 30.25 1cwp s TRP 55 CO 0.04 -0.61 0.05 0.95 -2.66 0.00 0.00 176.95 174.72 1cwp s THR 56 N -3.84 3.02 -0.07 0.66 -4.23 -1.26 -1.19 115.64 108.73 1cwp s THR 56 Ca 0.05 -1.86 -0.04 0.00 -1.18 0.00 0.00 61.69 58.65 1cwp s THR 56 Cb 0.04 -2.87 0.03 0.00 1.34 0.00 0.00 72.50 71.04 1cwp s THR 56 CO -0.11 -0.25 0.16 0.00 -0.54 0.00 0.00 174.62 173.89 1cwp s ALA 57 N -2.43 -0.36 0.26 3.99 0.00 0.69 -4.96 121.76 118.95 1cwp s ALA 57 Ca 0.35 0.62 -0.20 0.00 0.00 0.00 0.00 51.96 52.73 1cwp s ALA 57 Cb -0.03 -0.39 -0.09 0.00 0.00 0.00 0.00 23.12 22.61 1cwp s ALA 57 CO 0.21 -0.13 0.77 -1.12 0.00 0.00 0.00 175.76 175.49 1cwp s SER 58 N 0.70 7.06 0.75 0.00 0.01 -1.26 -0.31 113.70 120.66 1cwp s SER 58 Ca -0.05 1.48 -0.15 0.00 1.31 0.00 0.00 55.95 58.53 1cwp s SER 58 Cb -0.07 -2.44 -0.00 0.00 0.21 0.00 0.00 66.02 63.72 1cwp s SER 58 CO -0.04 -0.03 0.75 0.00 0.41 0.00 0.00 173.24 174.34 1cwp n ALA 60 N -2.65 3.54 -2.48 0.00 0.00 -1.26 -3.03 120.51 114.63 1cwp n ALA 60 Ca 0.11 -0.57 -0.01 0.00 0.00 0.00 0.00 53.44 52.96 1cwp n ALA 60 Cb 0.50 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1cwp n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cwp n ALA 61 N -0.34 -3.31 -2.29 0.00 0.00 -1.25 -4.69 120.51 108.64 1cwp n ALA 61 Ca 0.09 0.52 -0.18 0.00 0.00 0.00 0.00 53.44 53.87 1cwp n ALA 61 Cb 0.42 -1.29 -0.09 0.00 0.00 0.00 0.00 19.45 18.50 1cwp n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cwp s ALA 62 N -1.51 1.78 0.71 0.00 0.00 -0.83 -4.83 121.76 117.08 1cwp s ALA 62 Ca 0.04 -1.86 -0.09 0.00 0.00 0.00 0.00 51.96 50.06 1cwp s ALA 62 Cb -0.01 1.33 0.05 0.00 0.00 0.00 0.00 23.12 24.49 1cwp s ALA 62 CO 0.62 -0.59 1.06 -1.21 0.00 0.00 0.00 175.76 175.63 1cwp s GLU 63 N -3.73 2.38 0.48 0.00 2.02 -1.26 -0.05 118.70 118.54 1cwp s GLU 63 Ca 0.38 0.02 -0.24 0.00 0.02 0.00 0.00 54.97 55.16 1cwp s GLU 63 Cb 0.04 -2.10 -0.07 0.00 0.10 0.00 0.00 34.13 32.10 1cwp s GLU 63 CO 0.21 -1.20 1.35 0.00 0.02 0.00 0.00 175.26 175.63 1cwp s ALA 64 N -3.31 3.06 -1.41 5.21 0.00 -1.26 -3.08 121.76 120.97 1cwp s ALA 64 Ca 0.59 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.86 1cwp s ALA 64 Cb -0.11 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1cwp s ALA 64 CO 0.47 -1.12 0.00 1.63 0.00 0.00 0.00 175.76 176.75 1cwp n LYS 65 N -0.46 -1.50 -3.94 0.00 5.02 0.77 -4.91 118.16 113.15 1cwp n LYS 65 Ca 0.07 0.95 -0.36 0.00 -2.02 0.00 0.00 58.31 56.96 1cwp n LYS 65 Cb 0.44 -5.29 -0.08 0.00 -0.02 0.00 0.00 35.03 30.08 1cwp n LYS 65 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1cwp s VAL 66 N -2.20 5.19 -0.40 -0.18 1.01 -1.18 -4.93 120.40 117.71 1cwp s VAL 66 Ca 0.00 0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 1cwp s VAL 66 Cb 0.00 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 33.10 1cwp s VAL 66 CO 0.00 0.55 0.42 -0.89 0.00 0.00 0.00 175.10 175.17 1cwp s THR 67 N -0.43 5.11 0.40 3.92 2.01 -1.26 -3.93 115.64 121.46 1cwp s THR 67 Ca 0.11 -0.24 0.08 0.00 0.31 0.00 0.00 61.69 61.95 1cwp s THR 67 Cb -0.12 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.42 1cwp s THR 67 CO 0.02 -0.33 0.55 -0.94 -0.69 0.00 0.00 174.62 173.23 1cwp s SER 68 N 1.78 5.72 -0.02 3.53 1.04 0.10 -4.79 113.70 121.07 1cwp s SER 68 Ca 0.12 -0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.23 1cwp s SER 68 Cb -0.17 -0.78 -0.01 0.00 0.10 0.00 0.00 66.02 65.16 1cwp s SER 68 CO 0.13 -0.69 -0.19 0.00 0.98 0.00 0.00 173.24 173.47 1cwp s ALA 69 N -2.31 1.56 -0.05 5.32 0.00 -1.26 -0.66 121.76 124.35 1cwp s ALA 69 Ca 0.53 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.76 1cwp s ALA 69 Cb -0.10 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1cwp s ALA 69 CO 0.33 0.37 -0.23 0.42 0.00 0.00 0.00 175.76 176.64 1cwp s ILE 70 N -0.37 2.23 -0.13 0.00 1.01 0.90 -4.99 121.20 119.86 1cwp s ILE 70 Ca 0.06 -1.02 -0.16 0.00 0.00 0.00 0.00 60.65 59.53 1cwp s ILE 70 Cb -0.08 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 1cwp s ILE 70 CO -0.00 0.57 0.39 -0.89 0.00 0.00 0.00 174.94 175.01 1cwp s THR 71 N -0.35 5.23 -0.23 2.92 2.01 -1.26 -1.75 115.64 122.21 1cwp s THR 71 Ca 0.02 0.77 -0.29 0.00 0.31 0.00 0.00 61.69 62.50 1cwp s THR 71 Cb -0.12 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.67 1cwp s THR 71 CO 0.02 0.38 1.10 -0.63 -0.69 0.00 0.00 174.62 174.80 1cwp s ILE 72 N 0.40 4.55 -0.03 1.82 1.01 -1.26 -4.99 121.20 122.70 1cwp s ILE 72 Ca 0.22 1.86 0.07 0.00 0.00 0.00 0.00 60.65 62.80 1cwp s ILE 72 Cb -0.14 -4.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.06 1cwp s ILE 72 CO 0.08 -0.22 -0.23 -0.94 0.00 0.00 0.00 174.94 173.63 1cwp s SER 73 N 1.48 2.79 0.31 3.58 1.04 -1.26 -4.65 113.70 117.00 1cwp s SER 73 Ca 0.47 -0.44 -0.28 0.00 0.48 0.00 0.00 55.95 56.17 1cwp s SER 73 Cb -0.16 -0.48 -0.10 0.00 0.10 0.00 0.00 66.02 65.38 1cwp s SER 73 CO 0.10 0.26 1.15 -0.76 0.98 0.00 0.00 173.24 174.97 1cwp s LEU 74 N -0.39 4.45 0.34 2.42 1.02 -1.26 -5.01 118.68 120.26 1cwp s LEU 74 Ca 0.04 2.36 -0.27 0.00 0.02 0.00 0.00 54.13 56.28 1cwp s LEU 74 Cb -0.11 -3.72 -0.09 0.00 0.02 0.00 0.00 46.19 42.30 1cwp s LEU 74 CO 0.01 -0.32 1.13 -2.16 0.02 0.00 0.00 176.35 175.02 1cwp s PRO 75 N -1.70 4.35 0.32 1.29 0.04 -1.26 -4.82 135.00 133.22 1cwp s PRO 75 Ca 0.48 1.79 0.05 0.00 0.04 0.00 0.00 61.00 63.36 1cwp s PRO 75 Cb -0.33 -2.90 0.86 0.00 0.04 0.00 0.00 34.50 32.17 1cwp s PRO 75 CO 0.43 -0.04 1.54 0.09 0.04 0.00 0.00 177.00 179.05 1cwp n ASN 76 N 0.58 -0.03 -0.20 6.66 3.02 -1.26 -0.47 115.26 123.57 1cwp n ASN 76 Ca 0.02 1.66 0.07 0.00 -0.03 0.00 0.00 54.58 56.29 1cwp n ASN 76 Cb 0.46 -0.64 0.35 0.00 -0.61 0.00 0.00 39.78 39.34 1cwp n ASN 76 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1cwp h GLU 77 N 0.00 0.73 -0.11 3.52 3.07 -2.03 0.73 114.58 120.50 1cwp h GLU 77 Ca 0.64 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.45 1cwp h GLU 77 Cb 1.41 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1cwp h GLU 77 CO -0.89 0.48 0.00 1.28 -1.40 0.00 0.00 179.01 178.49 1cwp n LEU 78 N -4.49 1.83 0.00 1.33 4.77 0.38 -4.44 117.00 116.39 1cwp n LEU 78 Ca 0.11 -0.69 0.15 0.00 -0.03 0.00 0.00 56.01 55.55 1cwp n LEU 78 Cb 0.25 -0.06 0.79 0.00 -2.33 0.00 0.00 43.42 42.07 1cwp n LEU 78 CO 0.33 0.35 1.02 -1.20 -1.33 0.00 0.00 177.39 176.56 1cwp n SER 79 N 0.43 0.00 -4.81 -1.43 7.64 0.25 -3.51 113.62 112.18 1cwp n SER 79 Ca 0.17 -0.41 -0.31 0.00 1.01 0.00 0.00 58.87 59.34 1cwp n SER 79 Cb 0.38 -0.19 0.05 0.00 -1.01 0.00 0.00 64.21 63.44 1cwp n SER 79 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1cwp s SER 80 N -2.38 5.37 0.25 6.43 1.04 -1.26 -4.84 113.70 118.32 1cwp s SER 80 Ca 0.34 1.67 -0.03 0.00 0.48 0.00 0.00 55.95 58.40 1cwp s SER 80 Cb 0.20 -2.50 0.46 0.00 0.10 0.00 0.00 66.02 64.27 1cwp s SER 80 CO 0.41 -1.45 1.80 -0.08 0.98 0.00 0.00 173.24 174.90 1cwp h GLU 81 N -0.57 0.74 -0.11 4.02 4.57 -2.00 -1.22 114.58 120.01 1cwp h GLU 81 Ca -0.44 -0.04 -0.17 0.00 -1.18 0.00 0.00 59.36 57.52 1cwp h GLU 81 Cb 1.21 -0.17 0.01 0.00 -0.16 0.00 0.00 28.75 29.64 1cwp h GLU 81 CO 0.56 0.49 -0.61 -0.09 -1.18 0.00 0.00 179.01 178.19 1cwp h ARG 82 N 0.77 0.61 0.00 1.92 2.43 -1.95 -3.22 114.38 114.95 1cwp h ARG 82 Ca 0.43 -0.51 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 1cwp h ARG 82 Cb 0.46 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1cwp h ARG 82 CO -0.28 1.13 -0.17 -0.91 -1.51 0.00 0.00 179.97 178.22 1cwp h ASN 83 N 0.26 0.00 0.15 -3.80 -0.26 -1.67 -2.42 115.58 107.83 1cwp h ASN 83 Ca -0.04 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.67 1cwp h ASN 83 Cb 1.25 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.51 1cwp h ASN 83 CO 0.13 0.17 -0.15 0.11 -1.06 0.00 0.00 177.43 176.63 1cwp h LYS 84 N 0.00 0.00 0.00 0.81 1.57 -1.25 -2.00 116.57 115.71 1cwp h LYS 84 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1cwp h LYS 84 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1cwp h LYS 84 CO 0.02 0.15 0.00 1.04 -0.57 0.00 0.00 179.45 180.09 1cwp n GLN 85 N -4.35 0.00 -1.70 3.15 1.13 -0.91 -1.58 117.38 113.12 1cwp n GLN 85 Ca -0.03 0.20 -0.42 0.00 -1.94 0.00 0.00 57.00 54.81 1cwp n GLN 85 Cb 0.22 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.07 1cwp n GLN 85 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1cwp n LEU 86 N -1.50 3.74 -4.81 1.08 4.32 -0.75 -4.68 117.00 114.40 1cwp n LEU 86 Ca 0.04 1.15 -0.38 0.00 -0.02 0.00 0.00 56.01 56.81 1cwp n LEU 86 Cb 0.21 -1.49 -0.06 0.00 -1.62 0.00 0.00 43.42 40.46 1cwp n LEU 86 CO 0.16 -0.60 0.33 -0.54 -1.22 0.00 0.00 177.39 175.52 1cwp s LYS 87 N -2.04 4.25 0.46 3.23 1.02 -1.26 -1.12 119.74 124.29 1cwp s LYS 87 Ca 0.58 0.81 -0.13 0.00 0.02 0.00 0.00 55.97 57.25 1cwp s LYS 87 Cb -0.54 -3.15 -0.07 0.00 -0.52 0.00 0.00 37.83 33.55 1cwp s LYS 87 CO 0.60 0.57 0.88 0.08 -0.92 0.00 0.00 175.35 176.56 1cwp s VAL 88 N -1.22 4.66 0.00 3.17 1.01 0.76 -1.47 120.40 127.31 1cwp s VAL 88 Ca 0.33 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.22 1cwp s VAL 88 Cb -0.19 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1cwp s VAL 88 CO 0.21 -0.62 0.00 0.61 0.00 0.00 0.00 175.10 175.30 1cwp n GLY 89 N -1.47 3.01 3.78 4.51 0.00 0.83 -4.35 105.19 111.50 1cwp n GLY 89 Ca 0.04 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1cwp n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cwp s ARG 90 N 3.12 4.42 -0.03 1.61 0.52 -1.26 -4.21 118.95 123.12 1cwp s ARG 90 Ca 0.00 1.48 0.04 0.00 -0.52 0.00 0.00 55.73 56.73 1cwp s ARG 90 Cb 0.00 -2.76 -0.00 0.00 0.52 0.00 0.00 34.95 32.71 1cwp s ARG 90 CO 0.00 0.09 -0.14 0.08 0.02 0.00 0.00 175.30 175.36 1cwp s VAL 91 N -1.55 1.14 0.08 3.52 1.01 -1.24 -0.97 120.40 122.38 1cwp s VAL 91 Ca 0.52 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 62.01 1cwp s VAL 91 Cb -0.22 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 1cwp s VAL 91 CO 0.28 0.33 -0.22 -0.22 0.00 0.00 0.00 175.10 175.28 1cwp s LEU 92 N -0.05 2.24 -0.09 3.92 2.96 -0.36 0.13 118.68 127.43 1cwp s LEU 92 Ca -0.00 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 53.30 1cwp s LEU 92 Cb -0.09 -0.97 0.02 0.00 0.50 0.00 0.00 46.19 45.66 1cwp s LEU 92 CO 0.01 0.12 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.87 1cwp s LEU 93 N -1.56 1.25 0.00 -0.68 2.96 0.20 -1.69 118.68 119.16 1cwp s LEU 93 Ca 0.08 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.73 1cwp s LEU 93 Cb -0.09 -0.74 0.00 0.00 0.50 0.00 0.00 46.19 45.85 1cwp s LEU 93 CO 0.03 -0.08 0.00 0.79 -1.32 0.00 0.00 176.35 175.77 1cwp n TRP 94 N 4.58 -2.00 -3.15 5.38 7.02 -0.61 0.10 117.44 128.76 1cwp n TRP 94 Ca -0.16 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.37 1cwp n TRP 94 Cb 0.51 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.39 1cwp n TRP 94 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1cwp s LEU 95 N 0.00 -0.50 -0.98 -0.99 1.98 -1.24 -4.31 118.68 112.65 1cwp s LEU 95 Ca 0.00 0.14 -0.04 0.00 -2.89 0.00 0.00 54.13 51.35 1cwp s LEU 95 Cb 0.00 1.35 0.25 0.00 0.66 0.00 0.00 46.19 48.45 1cwp s LEU 95 CO 0.00 -0.09 0.99 0.61 -1.89 0.00 0.00 176.35 175.97 1cwp n GLY 96 N 5.26 4.35 3.83 7.98 0.00 0.15 -5.00 105.19 121.75 1cwp n GLY 96 Ca 0.03 -2.62 -0.34 0.00 0.00 0.00 0.00 46.02 43.10 1cwp n GLY 96 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1cwp s LEU 97 N -1.63 4.11 0.43 0.99 2.34 -1.26 -1.90 118.68 121.76 1cwp s LEU 97 Ca 0.30 1.49 -0.25 0.00 0.06 0.00 0.00 54.13 55.72 1cwp s LEU 97 Cb -0.05 -4.12 -0.08 0.00 -0.56 0.00 0.00 46.19 41.38 1cwp s LEU 97 CO -0.07 -0.19 1.37 -0.22 -1.06 0.00 0.00 176.35 176.18 1cwp s LEU 98 N -2.75 4.15 0.59 1.48 0.20 -0.76 -4.92 118.68 116.67 1cwp s LEU 98 Ca 0.54 2.80 0.30 0.00 0.69 0.00 0.00 54.13 58.45 1cwp s LEU 98 Cb -0.12 -3.93 1.26 0.00 -0.43 0.00 0.00 46.19 42.97 1cwp s LEU 98 CO 0.17 -1.04 1.62 1.55 -0.29 0.00 0.00 176.35 178.36 1cwp h PRO 99 N 2.45 0.00 0.00 0.98 0.13 -1.96 -1.36 132.00 132.24 1cwp h PRO 99 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1cwp h PRO 99 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1cwp h PRO 99 CO 0.62 0.00 -1.22 -1.13 -0.23 0.00 0.00 178.00 176.04 1cwp n SER 100 N -3.54 0.58 -4.66 1.44 3.41 -1.26 -4.91 113.62 104.68 1cwp n SER 100 Ca 0.18 -0.34 -0.42 0.00 -0.26 0.00 0.00 58.87 58.02 1cwp n SER 100 Cb 1.14 1.08 -0.03 0.00 -0.26 0.00 0.00 64.21 66.15 1cwp n SER 100 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1cwp n VAL 101 N -1.92 0.77 -4.45 -3.33 0.31 -0.51 -4.95 118.33 104.25 1cwp n VAL 101 Ca 0.01 -0.15 -0.28 0.00 -0.01 0.00 0.00 64.34 63.91 1cwp n VAL 101 Cb 0.44 -2.33 -0.17 0.00 -0.91 0.00 0.00 33.84 30.87 1cwp n VAL 101 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1cwp s SER 102 N 4.56 2.39 0.00 4.52 1.04 -1.26 -4.97 113.70 119.97 1cwp s SER 102 Ca 0.89 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1cwp s SER 102 Cb -0.43 -1.06 0.00 0.00 0.10 0.00 0.00 66.02 64.63 1cwp s SER 102 CO 0.42 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.26 1cwp n GLY 103 N 4.20 0.35 3.83 7.32 0.00 -1.26 -4.74 105.19 114.89 1cwp n GLY 103 Ca -0.19 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 43.65 1cwp n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cwp s THR 104 N -1.59 5.14 -0.05 2.61 -4.23 -1.26 -4.93 115.64 111.34 1cwp s THR 104 Ca 0.00 0.71 0.03 0.00 -1.18 0.00 0.00 61.69 61.24 1cwp s THR 104 Cb 0.00 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 70.20 1cwp s THR 104 CO 0.00 0.56 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.84 1cwp s VAL 105 N -0.88 1.00 0.04 2.29 1.01 -1.26 -1.78 120.40 120.81 1cwp s VAL 105 Ca 0.22 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1cwp s VAL 105 Cb -0.15 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1cwp s VAL 105 CO 0.11 0.31 -0.09 -0.54 0.00 0.00 0.00 175.10 174.90 1cwp s LYS 106 N 0.44 0.58 0.02 2.72 1.02 -0.38 -3.38 119.74 120.76 1cwp s LYS 106 Ca -0.09 -0.67 -0.17 0.00 0.02 0.00 0.00 55.97 55.05 1cwp s LYS 106 Cb -0.13 -0.44 0.03 0.00 -0.52 0.00 0.00 37.83 36.78 1cwp s LYS 106 CO 0.02 0.09 0.38 0.45 -0.92 0.00 0.00 175.35 175.38 1cwp s SER 107 N -1.29 -0.25 0.01 2.83 0.15 -0.80 -1.06 113.70 113.28 1cwp s SER 107 Ca -0.06 0.05 -0.27 0.00 0.70 0.00 0.00 55.95 56.37 1cwp s SER 107 Cb -0.08 0.38 0.06 0.00 -1.71 0.00 0.00 66.02 64.68 1cwp s SER 107 CO 0.01 -0.58 0.62 0.00 1.20 0.00 0.00 173.24 174.49 1cwp s VAL 109 N -1.92 2.97 0.13 0.00 1.01 -1.26 -2.21 120.40 119.11 1cwp s VAL 109 Ca -0.08 -1.89 0.00 0.00 0.00 0.00 0.00 61.98 60.02 1cwp s VAL 109 Cb -0.01 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1cwp s VAL 109 CO 0.03 -0.47 0.01 -0.89 0.00 0.00 0.00 175.10 173.78 1cwp s THR 110 N 1.13 0.39 0.27 3.92 2.01 -0.83 -4.90 115.64 117.63 1cwp s THR 110 Ca 0.04 -1.92 -0.27 0.00 0.31 0.00 0.00 61.69 59.85 1cwp s THR 110 Cb -0.21 -1.94 -0.15 0.00 0.01 0.00 0.00 72.50 70.21 1cwp s THR 110 CO -0.04 -0.61 0.73 -0.62 -0.69 0.00 0.00 174.62 173.39 1cwp n GLU 111 N -0.10 0.67 -1.69 4.92 1.02 -1.26 -1.77 120.64 122.42 1cwp n GLU 111 Ca -0.08 0.24 -0.55 0.00 -0.02 0.00 0.00 57.16 56.75 1cwp n GLU 111 Cb 0.63 -1.44 -0.06 0.00 -0.02 0.00 0.00 31.44 30.55 1cwp n GLU 111 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1cwp n THR 112 N -0.04 0.31 -3.69 2.62 -1.04 -1.03 -4.60 114.28 106.81 1cwp n THR 112 Ca 0.13 -0.06 -0.22 0.00 -2.04 0.00 0.00 64.05 61.87 1cwp n THR 112 Cb 0.30 -1.30 -0.02 0.00 -1.82 0.00 0.00 70.33 67.49 1cwp n THR 112 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1cwp s GLN 113 N 3.17 3.43 -0.10 -2.82 2.00 -1.26 -5.00 119.66 119.09 1cwp s GLN 113 Ca 0.95 -0.60 -0.07 0.00 -2.00 0.00 0.00 55.36 53.64 1cwp s GLN 113 Cb -0.97 -2.79 -0.27 0.00 0.80 0.00 0.00 33.01 29.78 1cwp s GLN 113 CO 0.60 0.28 0.44 1.15 -0.50 0.00 0.00 175.29 177.26 1cwp h THR 114 N 0.97 0.69 -2.88 -0.34 2.02 -2.02 -3.41 112.91 107.95 1cwp h THR 114 Ca -0.51 -2.39 -0.61 0.00 0.77 0.00 0.00 66.41 63.68 1cwp h THR 114 Cb 1.23 2.56 -0.41 0.00 -1.74 0.00 0.00 68.15 69.79 1cwp h THR 114 CO 0.61 0.89 -0.72 -0.89 0.37 0.00 0.00 175.52 175.78 1cwp s THR 115 N -2.56 1.93 0.00 3.16 2.01 -1.26 -5.03 115.64 113.88 1cwp s THR 115 Ca -0.21 -3.52 0.00 0.00 0.31 0.00 0.00 61.69 58.28 1cwp s THR 115 Cb 0.06 -2.29 0.00 0.00 0.01 0.00 0.00 72.50 70.28 1cwp s THR 115 CO 0.79 -1.05 0.00 0.00 -0.69 0.00 0.00 174.62 173.67 1cwp n ALA 116 N 2.50 0.00 0.05 7.40 0.00 -1.26 0.13 120.51 129.33 1cwp n ALA 116 Ca 0.20 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.83 1cwp n ALA 116 Cb 0.38 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.54 1cwp n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cwp h ALA 117 N 0.00 2.37 0.00 0.00 0.00 -1.96 -0.73 119.26 118.94 1cwp h ALA 117 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1cwp h ALA 117 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1cwp h ALA 117 CO 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 179.25 178.65 1cwp h ALA 118 N 1.74 1.15 -0.80 0.00 0.00 -0.75 -2.79 119.26 117.81 1cwp h ALA 118 Ca 0.21 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.29 1cwp h ALA 118 Cb 0.89 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.55 1cwp h ALA 118 CO -0.00 0.03 0.18 0.66 0.00 0.00 0.00 179.25 180.12 1cwp h SER 119 N 0.00 -0.03 0.23 0.00 4.64 -1.31 0.16 113.55 117.24 1cwp h SER 119 Ca -0.00 0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.47 1cwp h SER 119 Cb 0.14 0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1cwp h SER 119 CO 0.00 -0.10 -0.08 -0.26 -0.87 0.00 0.00 176.83 175.52 1cwp h PHE 120 N 0.23 0.00 0.00 4.77 0.04 -1.71 0.50 116.94 120.77 1cwp h PHE 120 Ca 0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.24 1cwp h PHE 120 Cb 0.87 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.02 1cwp h PHE 120 CO -0.28 0.08 -0.23 1.04 -0.60 0.00 0.00 178.31 178.32 1cwp n GLN 121 N -3.77 0.04 -0.03 1.51 6.02 0.53 -4.00 117.38 117.67 1cwp n GLN 121 Ca -0.02 0.02 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 1cwp n GLN 121 Cb 0.19 -1.54 -0.05 0.00 1.02 0.00 0.00 30.24 29.86 1cwp n GLN 121 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1cwp n VAL 122 N -1.60 0.45 -1.71 5.09 0.31 -0.53 -5.03 118.33 115.29 1cwp n VAL 122 Ca 0.06 -0.26 -0.60 0.00 -0.01 0.00 0.00 64.34 63.53 1cwp n VAL 122 Cb 0.35 -0.82 -0.08 0.00 -0.91 0.00 0.00 33.84 32.38 1cwp n VAL 122 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1cwp n ALA 123 N -2.34 -0.64 0.48 3.52 0.00 0.16 -4.82 120.51 116.88 1cwp n ALA 123 Ca -0.11 0.43 0.06 0.00 0.00 0.00 0.00 53.44 53.82 1cwp n ALA 123 Cb 0.70 -2.12 0.29 0.00 0.00 0.00 0.00 19.45 18.32 1cwp n ALA 123 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cwp n LEU 124 N 4.78 0.00 -3.64 0.00 4.77 -1.26 -4.64 117.00 117.01 1cwp n LEU 124 Ca 0.27 0.46 -0.07 0.00 -0.03 0.00 0.00 56.01 56.64 1cwp n LEU 124 Cb 0.08 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 40.64 1cwp n LEU 124 CO 0.82 -0.26 0.71 0.00 -1.33 0.00 0.00 177.39 177.34 1cwp s ALA 125 N -2.92 -2.05 0.06 -1.18 0.00 -1.26 -5.02 121.76 109.38 1cwp s ALA 125 Ca 0.07 1.98 0.05 0.00 0.00 0.00 0.00 51.96 54.07 1cwp s ALA 125 Cb 0.09 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 1cwp s ALA 125 CO 0.23 -0.27 -0.14 0.08 0.00 0.00 0.00 175.76 175.66 1cwp s VAL 126 N 0.57 1.11 -0.23 0.00 1.01 -1.26 -4.55 120.40 117.04 1cwp s VAL 126 Ca -0.00 -1.15 -0.08 0.00 0.00 0.00 0.00 61.98 60.75 1cwp s VAL 126 Cb -0.05 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1cwp s VAL 126 CO -0.09 -0.11 0.08 0.00 0.00 0.00 0.00 175.10 174.97 1cwp s ALA 127 N -1.06 3.25 0.34 5.51 0.00 0.77 -4.69 121.76 125.89 1cwp s ALA 127 Ca -0.00 -1.02 0.09 0.00 0.00 0.00 0.00 51.96 51.02 1cwp s ALA 127 Cb -0.09 -2.07 -0.05 0.00 0.00 0.00 0.00 23.12 20.91 1cwp s ALA 127 CO 0.02 -0.31 0.01 0.34 0.00 0.00 0.00 175.76 175.82 1cwp s ASP 128 N 1.29 4.15 -0.00 0.00 -1.08 -1.26 -1.91 116.67 117.86 1cwp s ASP 128 Ca 0.05 -1.01 0.09 0.00 -0.52 0.00 0.00 52.55 51.16 1cwp s ASP 128 Cb -0.15 -0.52 -0.11 0.00 -1.46 0.00 0.00 42.92 40.68 1cwp s ASP 128 CO 0.04 -0.25 0.36 -0.46 0.52 0.00 0.00 175.17 175.38 1cwp n ASN 129 N -0.95 0.96 0.00 -0.34 6.94 -1.22 -4.14 115.26 116.51 1cwp n ASN 129 Ca -0.04 -0.56 0.12 0.00 -0.02 0.00 0.00 54.58 54.08 1cwp n ASN 129 Cb 0.63 1.10 0.55 0.00 -2.36 0.00 0.00 39.78 39.69 1cwp n ASN 129 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1cwp n SER 130 N -1.36 0.00 -4.73 0.53 3.41 -1.26 -4.77 113.62 105.44 1cwp n SER 130 Ca 0.01 0.39 -0.28 0.00 -0.26 0.00 0.00 58.87 58.73 1cwp n SER 130 Cb 0.17 -0.46 -0.07 0.00 -0.26 0.00 0.00 64.21 63.59 1cwp n SER 130 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1cwp s LYS 131 N -2.92 2.67 0.56 4.33 -0.14 -1.26 -5.01 119.74 117.97 1cwp s LYS 131 Ca 0.14 -0.90 0.34 0.00 -1.36 0.00 0.00 55.97 54.19 1cwp s LYS 131 Cb 0.16 -2.55 1.48 0.00 -1.68 0.00 0.00 37.83 35.24 1cwp s LYS 131 CO 0.44 0.50 1.80 -0.44 -0.76 0.00 0.00 175.35 176.90 1cwp h ASP 132 N 2.88 0.00 -4.14 2.83 5.19 -1.92 -3.39 116.42 117.87 1cwp h ASP 132 Ca -0.47 0.00 -0.65 0.00 -0.62 0.00 0.00 57.03 55.29 1cwp h ASP 132 Cb 1.19 0.00 -0.31 0.00 0.18 0.00 0.00 39.33 40.39 1cwp h ASP 132 CO 0.61 0.00 -0.87 -0.69 -3.12 0.00 0.00 179.24 175.17 1cwp s VAL 133 N -4.85 1.84 -0.57 -1.35 1.01 -1.26 -5.05 120.40 110.17 1cwp s VAL 133 Ca -0.05 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 60.98 1cwp s VAL 133 Cb 0.21 -1.55 0.43 0.00 0.00 0.00 0.00 36.38 35.46 1cwp s VAL 133 CO 0.72 0.52 1.70 0.52 0.00 0.00 0.00 175.10 178.56 1cwp n VAL 134 N 2.86 3.18 -4.53 2.92 0.31 -1.26 -4.43 118.33 117.37 1cwp n VAL 134 Ca -0.17 -3.77 -0.25 0.00 -0.01 0.00 0.00 64.34 60.15 1cwp n VAL 134 Cb 0.52 -1.18 -0.11 0.00 -0.91 0.00 0.00 33.84 32.16 1cwp n VAL 134 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1cwp s ALA 135 N -3.78 2.76 -0.07 3.52 0.00 -1.26 -3.65 121.76 119.28 1cwp s ALA 135 Ca 0.57 -2.18 -0.03 0.00 0.00 0.00 0.00 51.96 50.32 1cwp s ALA 135 Cb 0.46 0.41 0.04 0.00 0.00 0.00 0.00 23.12 24.03 1cwp s ALA 135 CO -0.09 -0.21 0.06 0.00 0.00 0.00 0.00 175.76 175.52 1cwp s ALA 136 N -3.00 0.31 -0.14 0.00 0.00 0.11 -4.15 121.76 114.90 1cwp s ALA 136 Ca 0.36 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 52.33 1cwp s ALA 136 Cb 0.09 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 1cwp s ALA 136 CO 0.17 -0.65 -0.01 -1.64 0.00 0.00 0.00 175.76 173.63 1cwp s MET 137 N 2.15 3.51 -0.77 0.00 -1.94 -1.26 0.59 119.30 121.58 1cwp s MET 137 Ca 0.04 -0.46 0.02 0.00 -1.71 0.00 0.00 55.69 53.59 1cwp s MET 137 Cb -0.13 -2.93 0.33 0.00 2.01 0.00 0.00 34.83 34.12 1cwp s MET 137 CO -0.05 0.39 1.34 0.66 -0.01 0.00 0.00 175.02 177.36 1cwp n TYR 138 N 3.10 3.49 0.00 -0.03 4.01 0.35 -4.81 117.16 123.27 1cwp n TYR 138 Ca -0.18 -3.35 0.00 0.00 -0.16 0.00 0.00 57.90 54.22 1cwp n TYR 138 Cb 0.53 -0.79 0.00 0.00 -0.31 0.00 0.00 39.34 38.76 1cwp n TYR 138 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1cwp n PRO 139 N -0.18 1.40 0.00 -0.72 -0.02 -1.26 -3.60 135.00 130.62 1cwp n PRO 139 Ca 0.38 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1cwp n PRO 139 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.82 1cwp n PRO 139 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1cwp n GLU 140 N 0.00 0.00 0.12 -0.52 1.02 -1.26 -4.45 120.64 115.55 1cwp n GLU 140 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1cwp n GLU 140 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1cwp n GLU 140 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cwp h ALA 141 N 0.00 0.61 0.00 0.62 0.00 -1.93 -3.34 119.26 115.22 1cwp h ALA 141 Ca 0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 1cwp h ALA 141 Cb 0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 17.55 1cwp h ALA 141 CO 0.00 0.79 -0.61 1.19 0.00 0.00 0.00 179.25 180.62 1cwp n PHE 142 N -3.28 0.00 -0.34 0.00 3.72 -1.26 -4.95 117.46 111.35 1cwp n PHE 142 Ca 0.01 -0.71 0.18 0.00 -0.05 0.00 0.00 57.45 56.88 1cwp n PHE 142 Cb 0.78 -0.15 0.41 0.00 -0.94 0.00 0.00 39.48 39.58 1cwp n PHE 142 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1cwp h LYS 143 N 0.61 0.55 -0.33 -1.08 3.64 -1.73 -3.00 116.57 115.22 1cwp h LYS 143 Ca -0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1cwp h LYS 143 Cb 1.42 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1cwp h LYS 143 CO 0.04 0.36 0.00 0.41 -2.27 0.00 0.00 179.45 177.99 1cwp n GLY 144 N -1.38 1.61 3.77 5.01 0.00 -1.26 -4.35 105.19 108.59 1cwp n GLY 144 Ca 0.25 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 1cwp n GLY 144 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cwp s ILE 145 N -1.31 3.25 0.04 -0.61 1.01 -1.13 -4.75 121.20 117.70 1cwp s ILE 145 Ca 0.32 0.55 -0.08 0.00 0.00 0.00 0.00 60.65 61.44 1cwp s ILE 145 Cb 0.19 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 1cwp s ILE 145 CO 0.26 -0.39 0.33 -0.89 0.00 0.00 0.00 174.94 174.25 1cwp s THR 146 N -2.43 5.20 0.38 2.92 2.01 -1.26 -0.17 115.64 122.28 1cwp s THR 146 Ca 0.66 0.31 0.14 0.00 0.31 0.00 0.00 61.69 63.12 1cwp s THR 146 Cb -0.20 -3.61 0.36 0.00 0.01 0.00 0.00 72.50 69.06 1cwp s THR 146 CO 0.44 0.34 1.81 -0.07 -0.69 0.00 0.00 174.62 176.44 1cwp h LEU 147 N 3.88 0.53 -0.40 4.42 3.38 -0.38 0.38 115.31 127.12 1cwp h LEU 147 Ca -0.50 0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.56 1cwp h LEU 147 Cb 1.20 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 1cwp h LEU 147 CO 0.66 0.18 0.24 -0.08 0.09 0.00 0.00 178.44 179.53 1cwp h GLU 148 N 0.51 0.47 -0.23 1.13 4.81 -1.58 -1.90 114.58 117.80 1cwp h GLU 148 Ca 0.54 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.63 1cwp h GLU 148 Cb 1.19 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1cwp h GLU 148 CO -0.27 0.31 -0.31 1.96 -0.73 0.00 0.00 179.01 179.98 1cwp h GLN 149 N 0.49 0.46 -0.72 1.92 4.20 -0.63 -2.59 115.11 118.24 1cwp h GLN 149 Ca 0.16 -0.19 0.04 0.00 0.06 0.00 0.00 58.65 58.71 1cwp h GLN 149 Cb -0.01 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 1cwp h GLN 149 CO -0.07 0.72 0.45 1.25 -0.67 0.00 0.00 178.83 180.51 1cwp h LEU 150 N 0.40 0.72 0.00 1.46 5.85 -0.35 0.51 115.31 123.90 1cwp h LEU 150 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1cwp h LEU 150 Cb 0.74 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1cwp h LEU 150 CO 0.06 0.49 0.00 0.00 -0.34 0.00 0.00 178.44 178.65 1cwp n ALA 151 N -2.32 2.27 0.02 1.25 0.00 -0.78 -3.61 120.51 117.34 1cwp n ALA 151 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1cwp n ALA 151 Cb 0.10 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1cwp n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cwp n ALA 152 N -1.22 3.00 0.20 0.00 0.00 -0.37 -4.82 120.51 117.29 1cwp n ALA 152 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.61 1cwp n ALA 152 Cb 0.17 0.39 0.41 0.00 0.00 0.00 0.00 19.45 20.42 1cwp n ALA 152 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1cwp h ASP 153 N 0.00 0.00 -3.71 0.00 5.19 -0.21 -3.46 116.42 114.22 1cwp h ASP 153 Ca 0.00 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.04 1cwp h ASP 153 Cb 0.61 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.97 1cwp h ASP 153 CO 0.00 0.33 -0.72 -1.48 -3.12 0.00 0.00 179.24 174.24 1cwp s LEU 154 N -8.09 2.53 0.28 1.55 2.34 -1.24 -2.48 118.68 113.57 1cwp s LEU 154 Ca -0.03 -1.00 0.02 0.00 0.06 0.00 0.00 54.13 53.18 1cwp s LEU 154 Cb 0.14 -0.47 -0.06 0.00 -0.56 0.00 0.00 46.19 45.25 1cwp s LEU 154 CO 0.71 -0.27 0.08 0.42 -1.06 0.00 0.00 176.35 176.23 1cwp s THR 155 N -3.14 0.79 -0.12 5.48 -4.23 -0.73 -4.68 115.64 109.01 1cwp s THR 155 Ca 0.18 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.66 1cwp s THR 155 Cb 0.01 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 71.16 1cwp s THR 155 CO 0.03 -0.03 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.45 1cwp s ILE 156 N -3.59 4.26 0.04 2.99 1.01 -0.72 -1.96 121.20 123.23 1cwp s ILE 156 Ca 0.37 -0.25 0.08 0.00 0.00 0.00 0.00 60.65 60.84 1cwp s ILE 156 Cb 0.08 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 1cwp s ILE 156 CO 0.14 0.56 -0.23 -0.31 0.00 0.00 0.00 174.94 175.10 1cwp s TYR 157 N -0.39 1.97 -0.06 3.97 2.02 -0.94 -0.07 117.35 123.86 1cwp s TYR 157 Ca 0.07 -0.39 -0.00 0.00 -0.37 0.00 0.00 57.07 56.39 1cwp s TYR 157 Cb -0.12 -1.18 0.02 0.00 -0.40 0.00 0.00 41.96 40.28 1cwp s TYR 157 CO 0.02 0.10 -0.03 -1.17 -1.57 0.00 0.00 175.55 172.90 1cwp s LEU 158 N -1.17 1.02 0.11 -1.29 0.20 0.16 -3.09 118.68 114.62 1cwp s LEU 158 Ca 0.09 -0.13 0.08 0.00 0.69 0.00 0.00 54.13 54.87 1cwp s LEU 158 Cb -0.09 -0.48 -0.04 0.00 -0.43 0.00 0.00 46.19 45.15 1cwp s LEU 158 CO 0.02 -0.12 -0.16 -0.47 -0.29 0.00 0.00 176.35 175.33 1cwp s TYR 159 N 1.41 2.58 -0.19 5.38 6.14 -0.23 -0.72 117.35 131.72 1cwp s TYR 159 Ca -0.03 -0.24 -0.12 0.00 0.64 0.00 0.00 57.07 57.33 1cwp s TYR 159 Cb -0.13 -1.37 0.06 0.00 0.42 0.00 0.00 41.96 40.94 1cwp s TYR 159 CO -0.03 0.39 0.48 -1.54 0.64 0.00 0.00 175.55 175.49 1cwp s SER 160 N -2.12 -0.60 0.40 4.32 1.04 -1.25 -1.25 113.70 114.23 1cwp s SER 160 Ca 0.19 1.03 0.19 0.00 0.48 0.00 0.00 55.95 57.83 1cwp s SER 160 Cb -0.11 0.93 0.83 0.00 0.10 0.00 0.00 66.02 67.77 1cwp s SER 160 CO 0.11 -0.20 1.82 0.77 0.98 0.00 0.00 173.24 176.72 1cwp h SER 161 N 6.88 0.00 -2.49 7.02 4.64 -1.71 0.22 113.55 128.10 1cwp h SER 161 Ca -0.34 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.43 1cwp h SER 161 Cb 1.19 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.21 1cwp h SER 161 CO 0.26 0.33 -0.57 0.00 -0.87 0.00 0.00 176.83 175.98 1cwp s ALA 162 N -3.87 3.50 0.37 5.18 0.00 -1.26 -3.20 121.76 122.48 1cwp s ALA 162 Ca -0.01 -1.34 -0.26 0.00 0.00 0.00 0.00 51.96 50.35 1cwp s ALA 162 Cb 0.12 -1.25 -0.09 0.00 0.00 0.00 0.00 23.12 21.90 1cwp s ALA 162 CO 0.68 0.39 1.10 0.00 0.00 0.00 0.00 175.76 177.93 1cwp s ALA 163 N -1.94 3.18 0.19 0.00 0.00 -1.26 -4.23 121.76 117.70 1cwp s ALA 163 Ca 0.31 0.84 0.09 0.00 0.00 0.00 0.00 51.96 53.21 1cwp s ALA 163 Cb -0.09 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1cwp s ALA 163 CO 0.23 -0.31 -0.12 -0.51 0.00 0.00 0.00 175.76 175.05 1cwp s LEU 164 N -2.32 2.87 0.16 0.00 1.43 0.92 -4.88 118.68 116.86 1cwp s LEU 164 Ca 0.55 -0.65 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1cwp s LEU 164 Cb -0.27 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1cwp s LEU 164 CO 0.34 0.10 0.30 -0.89 0.23 0.00 0.00 176.35 176.43 1cwp s THR 165 N -1.77 5.31 0.25 5.49 2.01 -1.26 -1.96 115.64 123.70 1cwp s THR 165 Ca 0.25 -0.67 -0.31 0.00 0.31 0.00 0.00 61.69 61.27 1cwp s THR 165 Cb -0.08 -3.75 -0.11 0.00 0.01 0.00 0.00 72.50 68.56 1cwp s THR 165 CO 0.14 -0.12 1.63 -0.70 -0.69 0.00 0.00 174.62 174.89 1cwp s GLU 166 N -3.30 4.14 0.00 4.92 2.12 -1.26 -1.77 118.70 123.55 1cwp s GLU 166 Ca 0.35 2.56 0.00 0.00 0.36 0.00 0.00 54.97 58.24 1cwp s GLU 166 Cb -0.11 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.23 1cwp s GLU 166 CO 0.29 -0.66 0.00 0.41 -0.54 0.00 0.00 175.26 174.75 1cwp n GLY 167 N 2.93 0.65 0.15 -1.50 0.00 -1.17 -4.88 105.19 101.37 1cwp n GLY 167 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 1cwp n GLY 167 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1cwp h ASP 168 N 0.00 0.14 -3.22 1.61 5.19 -1.66 -3.42 116.42 115.06 1cwp h ASP 168 Ca 0.00 -0.09 -0.54 0.00 -0.62 0.00 0.00 57.03 55.78 1cwp h ASP 168 Cb 0.00 -0.04 -0.37 0.00 0.18 0.00 0.00 39.33 39.10 1cwp h ASP 168 CO 0.00 0.74 -0.80 -0.69 -3.12 0.00 0.00 179.24 175.37 1cwp s VAL 169 N -3.63 1.10 -0.16 -1.35 1.01 -1.26 -1.82 120.40 114.28 1cwp s VAL 169 Ca -0.03 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 1cwp s VAL 169 Cb 0.12 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 1cwp s VAL 169 CO 0.79 0.30 0.18 -0.63 0.00 0.00 0.00 175.10 175.73 1cwp s ILE 170 N 1.67 5.40 -0.22 2.22 1.01 -0.80 -1.22 121.20 129.25 1cwp s ILE 170 Ca 0.04 0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.88 1cwp s ILE 170 Cb -0.13 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 1cwp s ILE 170 CO -0.08 0.48 0.14 -0.69 0.00 0.00 0.00 174.94 174.78 1cwp s VAL 171 N -0.02 5.25 -0.11 2.92 1.01 0.58 -0.67 120.40 129.35 1cwp s VAL 171 Ca 0.12 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.22 1cwp s VAL 171 Cb -0.12 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1cwp s VAL 171 CO 0.01 0.38 -0.04 -1.00 0.00 0.00 0.00 175.10 174.45 1cwp s HIS 172 N 0.85 3.01 -0.05 5.22 3.76 -1.26 -0.22 115.29 126.60 1cwp s HIS 172 Ca 0.07 -0.12 -0.00 0.00 -0.15 0.00 0.00 55.06 54.86 1cwp s HIS 172 Cb -0.13 -1.85 0.03 0.00 1.11 0.00 0.00 32.58 31.74 1cwp s HIS 172 CO 0.03 0.16 -0.01 -1.17 -0.85 0.00 0.00 174.74 172.89 1cwp s LEU 173 N -0.22 0.95 -0.13 0.89 2.96 -0.33 -1.57 118.68 121.23 1cwp s LEU 173 Ca 0.04 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 1cwp s LEU 173 Cb -0.13 -0.40 -0.00 0.00 0.50 0.00 0.00 46.19 46.16 1cwp s LEU 173 CO 0.02 -0.13 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.13 1cwp s GLU 174 N 1.42 3.17 -0.11 1.98 2.02 -0.68 -1.55 118.70 124.95 1cwp s GLU 174 Ca -0.03 -0.79 0.03 0.00 0.02 0.00 0.00 54.97 54.19 1cwp s GLU 174 Cb -0.13 -2.49 0.01 0.00 0.10 0.00 0.00 34.13 31.61 1cwp s GLU 174 CO -0.03 0.11 -0.19 0.08 0.02 0.00 0.00 175.26 175.25 1cwp s VAL 175 N 0.56 1.79 0.02 2.63 1.01 0.49 -1.23 120.40 125.66 1cwp s VAL 175 Ca -0.11 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 1cwp s VAL 175 Cb -0.16 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1cwp s VAL 175 CO 0.04 0.50 0.99 -1.61 0.00 0.00 0.00 175.10 175.02 1cwp s GLU 176 N 0.74 4.57 -0.06 2.72 2.02 -0.15 -1.45 118.70 127.09 1cwp s GLU 176 Ca -0.11 1.44 -0.11 0.00 0.02 0.00 0.00 54.97 56.22 1cwp s GLU 176 Cb -0.16 -3.44 0.02 0.00 0.10 0.00 0.00 34.13 30.65 1cwp s GLU 176 CO 0.01 -0.03 0.26 -3.38 0.02 0.00 0.00 175.26 172.15 1cwp s HIS 177 N 0.89 -0.22 0.16 1.61 -3.43 -0.79 -0.12 115.29 113.39 1cwp s HIS 177 Ca 0.52 0.48 -0.34 0.00 -0.80 0.00 0.00 55.06 54.92 1cwp s HIS 177 Cb -0.22 0.08 -0.15 0.00 -1.43 0.00 0.00 32.58 30.86 1cwp s HIS 177 CO 0.28 -0.23 1.32 0.28 -2.00 0.00 0.00 174.74 174.39 1cwp n VAL 178 N 2.26 0.49 -1.68 -5.38 0.31 -0.54 -1.56 118.33 112.24 1cwp n VAL 178 Ca -0.17 -0.12 -0.46 0.00 -0.01 0.00 0.00 64.34 63.58 1cwp n VAL 178 Cb 0.57 -1.05 -0.04 0.00 -0.91 0.00 0.00 33.84 32.41 1cwp n VAL 178 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1cwp n ARG 179 N 2.29 2.22 -2.17 5.55 0.63 0.42 -4.75 116.66 120.85 1cwp n ARG 179 Ca 0.16 0.81 -0.41 0.00 -0.92 0.00 0.00 57.85 57.48 1cwp n ARG 179 Cb 0.25 -2.61 -0.03 0.00 0.45 0.00 0.00 32.46 30.52 1cwp n ARG 179 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1cwp s PRO 180 N 2.09 4.36 0.17 -0.14 0.04 -1.26 -4.91 135.00 135.35 1cwp s PRO 180 Ca 0.84 2.12 -0.10 0.00 0.04 0.00 0.00 61.00 63.89 1cwp s PRO 180 Cb -0.66 -3.17 0.05 0.00 0.04 0.00 0.00 34.50 30.75 1cwp s PRO 180 CO 0.42 -0.29 1.62 1.79 0.04 0.00 0.00 177.00 180.57 1cwp h THR 181 N 3.68 1.27 -0.84 1.26 1.35 -2.00 -3.30 112.91 114.32 1cwp h THR 181 Ca -0.45 -1.20 0.24 0.00 -0.55 0.00 0.00 66.41 64.45 1cwp h THR 181 Cb 1.22 0.88 -0.04 0.00 -1.73 0.00 0.00 68.15 68.48 1cwp h THR 181 CO 0.77 0.43 0.60 -0.26 -0.25 0.00 0.00 175.52 176.81 1cwp h PHE 182 N 0.93 0.06 0.00 4.73 -1.00 -1.96 -2.71 116.94 116.99 1cwp h PHE 182 Ca 0.16 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.94 1cwp h PHE 182 Cb 0.61 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.15 1cwp h PHE 182 CO 0.04 0.02 0.00 -0.40 -1.61 0.00 0.00 178.31 176.36 1cwp n ASP 183 N -4.31 0.04 -0.73 2.17 5.75 -1.25 -1.68 116.55 116.54 1cwp n ASP 183 Ca 0.17 0.52 0.12 0.00 -0.01 0.00 0.00 54.79 55.60 1cwp n ASP 183 Cb 0.88 -0.52 0.22 0.00 -1.03 0.00 0.00 41.12 40.66 1cwp n ASP 183 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1cwp n ASP 184 N -1.55 2.37 -4.47 -1.12 8.00 -1.02 -4.90 116.55 113.85 1cwp n ASP 184 Ca 0.00 -1.74 -0.24 0.00 0.71 0.00 0.00 54.79 53.52 1cwp n ASP 184 Cb 0.02 0.07 -0.10 0.00 -0.02 0.00 0.00 41.12 41.09 1cwp n ASP 184 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1cwp s SER 185 N -2.09 3.54 0.15 -2.24 0.01 -0.67 -5.13 113.70 107.27 1cwp s SER 185 Ca 0.29 -1.03 0.02 0.00 1.31 0.00 0.00 55.95 56.53 1cwp s SER 185 Cb 0.20 -0.29 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 1cwp s SER 185 CO 0.36 0.02 0.30 -0.36 0.41 0.00 0.00 173.24 173.96 1cwp s PHE 186 N -2.54 3.49 0.21 2.43 0.08 -1.26 -5.03 117.98 115.36 1cwp s PHE 186 Ca 0.30 0.18 -0.30 0.00 0.12 0.00 0.00 56.93 57.22 1cwp s PHE 186 Cb -0.05 -1.71 -0.09 0.00 -0.57 0.00 0.00 43.02 40.60 1cwp s PHE 186 CO 0.15 0.50 1.32 0.99 -0.10 0.00 0.00 175.22 178.07 1cwp s THR 187 N -1.74 3.13 1.08 0.64 2.01 -1.26 -4.98 115.64 114.51 1cwp s THR 187 Ca 0.35 0.95 -0.14 0.00 0.31 0.00 0.00 61.69 63.16 1cwp s THR 187 Cb -0.11 -3.61 0.17 0.00 0.01 0.00 0.00 72.50 68.96 1cwp s THR 187 CO 0.29 0.15 0.63 -0.81 -0.69 0.00 0.00 174.62 174.19 1cwp n PRO 188 N 2.44 -1.51 0.00 4.92 -0.04 -1.26 -4.99 135.00 134.56 1cwp n PRO 188 Ca 0.06 -0.41 0.04 0.00 -0.04 0.00 0.00 63.50 63.15 1cwp n PRO 188 Cb 0.42 -2.01 -0.02 0.00 -0.04 0.00 0.00 33.50 31.85 1cwp n PRO 188 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1cwp n VAL 189 N -4.46 0.00 1.16 0.52 0.31 -1.26 -5.32 118.33 109.27 1cwp n VAL 189 Ca 0.04 -0.36 0.13 0.00 -0.01 0.00 0.00 64.34 64.14 1cwp n VAL 189 Cb 0.56 1.05 0.23 0.00 -0.91 0.00 0.00 33.84 34.77 1cwp n VAL 189 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51