#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wsw s LYS 3 N 0.00 3.44 0.05 0.00 1.02 -1.26 -1.72 119.74 121.27 1wsw s LYS 3 Ca 0.00 -0.48 0.09 0.00 0.02 0.00 0.00 55.97 55.60 1wsw s LYS 3 Cb 0.00 -2.87 -0.03 0.00 -0.52 0.00 0.00 37.83 34.41 1wsw s LYS 3 CO 0.00 0.40 -0.26 0.00 -0.92 0.00 0.00 175.35 174.57 1wsw s ALA 4 N -0.05 2.28 -0.14 5.17 0.00 0.35 0.35 121.76 129.71 1wsw s ALA 4 Ca 0.02 -1.28 0.02 0.00 0.00 0.00 0.00 51.96 50.72 1wsw s ALA 4 Cb -0.13 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.52 1wsw s ALA 4 CO 0.02 0.54 -0.21 -1.17 0.00 0.00 0.00 175.76 174.94 1wsw s LEU 5 N -1.30 2.16 -0.20 0.00 2.96 -0.53 -0.48 118.68 121.28 1wsw s LEU 5 Ca 0.12 -0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1wsw s LEU 5 Cb -0.10 -1.46 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 1wsw s LEU 5 CO 0.02 0.08 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.45 1wsw s ILE 6 N 0.84 3.37 -0.11 6.68 1.01 -0.04 -0.22 121.20 132.73 1wsw s ILE 6 Ca -0.06 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.11 1wsw s ILE 6 Cb -0.15 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.81 1wsw s ILE 6 CO -0.02 0.44 -0.19 -0.69 0.00 0.00 0.00 174.94 174.48 1wsw s VAL 7 N 1.25 1.78 0.02 2.92 1.01 0.13 0.52 120.40 128.03 1wsw s VAL 7 Ca 0.03 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.23 1wsw s VAL 7 Cb -0.14 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 1wsw s VAL 7 CO -0.02 0.50 -0.15 -0.72 0.00 0.00 0.00 175.10 174.71 1wsw s TYR 8 N 0.74 1.33 -0.16 5.22 -0.85 -0.21 -0.60 117.35 122.83 1wsw s TYR 8 Ca -0.10 -0.30 -0.03 0.00 -0.52 0.00 0.00 57.07 56.11 1wsw s TYR 8 Cb -0.16 -0.82 -0.02 0.00 0.38 0.00 0.00 41.96 41.34 1wsw s TYR 8 CO 0.01 0.01 -0.05 0.20 -1.52 0.00 0.00 175.55 174.21 1wsw s GLY 9 N -0.76 1.68 -0.24 5.49 0.00 -0.02 0.12 107.32 113.59 1wsw s GLY 9 Ca 0.04 -0.86 -0.14 0.00 0.00 0.00 0.00 44.72 43.77 1wsw s GLY 9 CO 0.00 -0.05 0.59 -0.45 0.00 0.00 0.00 173.10 173.19 1wsw s SER 10 N 0.44 -0.78 -0.26 1.64 0.15 -1.26 -3.02 113.70 110.60 1wsw s SER 10 Ca -0.05 1.28 -0.03 0.00 0.70 0.00 0.00 55.95 57.86 1wsw s SER 10 Cb -0.15 1.16 -0.16 0.00 -1.71 0.00 0.00 66.02 65.17 1wsw s SER 10 CO 0.03 -0.22 -0.26 0.41 1.20 0.00 0.00 173.24 174.40 1wsw n THR 11 N 4.27 1.51 -0.59 6.45 -1.04 -1.26 -4.55 114.28 119.07 1wsw n THR 11 Ca -0.21 -0.51 0.07 0.00 -2.04 0.00 0.00 64.05 61.36 1wsw n THR 11 Cb 0.58 -1.57 0.22 0.00 -1.82 0.00 0.00 70.33 67.73 1wsw n THR 11 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1wsw n THR 12 N -3.57 1.66 -1.00 12.58 -2.24 -1.26 -4.96 114.28 115.49 1wsw n THR 12 Ca -0.48 -1.42 0.00 0.00 -2.27 0.00 0.00 64.05 59.88 1wsw n THR 12 Cb 0.96 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 1wsw n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wsw n GLY 13 N 0.09 0.90 0.14 3.38 0.00 -1.26 -4.97 105.19 103.47 1wsw n GLY 13 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 1wsw n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1wsw h ASN 14 N 0.00 0.44 0.61 1.61 2.35 -1.94 -1.14 115.58 117.51 1wsw h ASN 14 Ca 0.00 -0.58 -0.05 0.00 -0.55 0.00 0.00 56.30 55.12 1wsw h ASN 14 Cb 0.00 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1wsw h ASN 14 CO 0.00 0.95 -0.23 0.74 -1.65 0.00 0.00 177.43 177.24 1wsw h THR 15 N -0.04 0.72 -0.09 2.81 2.02 -1.93 -0.43 112.91 115.96 1wsw h THR 15 Ca -0.00 -0.98 -0.06 0.00 0.77 0.00 0.00 66.41 66.14 1wsw h THR 15 Cb 0.89 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1wsw h THR 15 CO 0.06 0.23 -0.17 -0.08 0.37 0.00 0.00 175.52 175.92 1wsw h GLU 16 N 0.00 0.28 -0.87 6.66 4.81 -1.86 0.21 114.58 123.81 1wsw h GLU 16 Ca -0.00 -0.18 0.03 0.00 -0.13 0.00 0.00 59.36 59.07 1wsw h GLU 16 Cb 0.60 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.95 1wsw h GLU 16 CO 0.03 0.77 0.57 -0.92 -0.73 0.00 0.00 179.01 178.73 1wsw h TYR 17 N -0.17 1.06 -0.22 0.92 5.03 -0.99 -0.61 116.97 121.98 1wsw h TYR 17 Ca 0.00 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 1wsw h TYR 17 Cb 0.75 -0.36 -0.01 0.00 1.55 0.00 0.00 36.73 38.67 1wsw h TYR 17 CO 0.11 0.64 0.10 1.15 -1.32 0.00 0.00 178.16 178.83 1wsw h THR 18 N 1.12 1.15 -0.92 1.81 2.02 -0.88 -2.00 112.91 115.20 1wsw h THR 18 Ca 0.34 -0.43 0.04 0.00 0.77 0.00 0.00 66.41 67.12 1wsw h THR 18 Cb -0.03 1.02 -0.06 0.00 -1.74 0.00 0.00 68.15 67.34 1wsw h THR 18 CO -0.09 0.14 0.60 0.00 0.37 0.00 0.00 175.52 176.54 1wsw h ALA 19 N 0.96 1.22 -0.45 6.16 0.00 -0.02 -0.10 119.26 127.03 1wsw h ALA 19 Ca 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1wsw h ALA 19 Cb 0.14 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1wsw h ALA 19 CO -0.01 0.46 0.10 0.93 0.00 0.00 0.00 179.25 180.73 1wsw h GLU 20 N 1.15 0.68 -0.09 0.00 5.08 -0.94 0.28 114.58 120.74 1wsw h GLU 20 Ca 0.37 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1wsw h GLU 20 Cb 0.02 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1wsw h GLU 20 CO -0.12 0.62 -0.11 1.15 -1.00 0.00 0.00 179.01 179.55 1wsw h THR 21 N 0.66 1.37 -0.71 1.13 2.02 -0.94 -2.04 112.91 114.41 1wsw h THR 21 Ca 0.15 -1.29 0.08 0.00 0.77 0.00 0.00 66.41 66.12 1wsw h THR 21 Cb 0.26 2.01 -0.06 0.00 -1.74 0.00 0.00 68.15 68.61 1wsw h THR 21 CO -0.00 0.36 0.38 0.40 0.37 0.00 0.00 175.52 177.03 1wsw h ILE 22 N -0.18 0.92 -0.31 3.11 2.04 -0.83 -2.29 117.51 119.96 1wsw h ILE 22 Ca 0.01 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1wsw h ILE 22 Cb 0.63 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1wsw h ILE 22 CO 0.03 0.12 0.18 0.00 0.00 0.00 0.00 178.15 178.48 1wsw h ALA 23 N 1.39 1.73 0.00 1.87 0.00 -0.35 -1.09 119.26 122.82 1wsw h ALA 23 Ca 0.33 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.07 1wsw h ALA 23 Cb 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1wsw h ALA 23 CO -0.22 0.24 -0.61 -0.09 0.00 0.00 0.00 179.25 178.56 1wsw h ARG 24 N 0.43 0.00 -0.06 0.00 2.43 -0.83 -0.77 114.38 115.59 1wsw h ARG 24 Ca 0.11 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 1wsw h ARG 24 Cb -0.00 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1wsw h ARG 24 CO -0.02 0.61 -0.43 1.49 -1.51 0.00 0.00 179.97 180.10 1wsw h GLU 25 N 0.00 0.39 -0.39 0.20 4.22 -0.87 0.13 114.58 118.26 1wsw h GLU 25 Ca -0.01 -0.35 -0.02 0.00 0.08 0.00 0.00 59.36 59.06 1wsw h GLU 25 Cb 1.42 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.73 1wsw h GLU 25 CO 0.08 1.00 0.16 -0.07 -2.18 0.00 0.00 179.01 177.99 1wsw h LEU 26 N -0.10 0.54 -0.63 1.64 3.38 -1.09 -2.48 115.31 116.58 1wsw h LEU 26 Ca -0.04 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 1wsw h LEU 26 Cb 1.11 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1wsw h LEU 26 CO 0.09 0.57 0.10 0.00 0.09 0.00 0.00 178.44 179.29 1wsw h ALA 27 N 1.00 0.84 -0.80 1.53 0.00 -1.03 -0.23 119.26 120.58 1wsw h ALA 27 Ca 0.13 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 54.87 1wsw h ALA 27 Cb 0.19 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1wsw h ALA 27 CO -0.01 0.60 0.52 -0.44 0.00 0.00 0.00 179.25 179.92 1wsw h ASP 28 N 0.96 0.66 0.00 0.00 3.32 -0.92 0.16 116.42 120.61 1wsw h ASP 28 Ca 0.19 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1wsw h ASP 28 Cb 0.43 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1wsw h ASP 28 CO 0.01 0.39 0.00 0.00 -1.72 0.00 0.00 179.24 177.93 1wsw n ALA 29 N -2.44 2.55 -0.23 3.45 0.00 -0.50 -4.91 120.51 118.44 1wsw n ALA 29 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wsw n ALA 29 Cb 0.33 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1wsw n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wsw n GLY 30 N 0.74 0.66 3.80 0.00 0.00 0.58 -5.06 105.19 105.90 1wsw n GLY 30 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1wsw n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wsw s TYR 31 N -2.37 2.88 -0.18 1.61 1.51 -0.22 -4.45 117.35 116.14 1wsw s TYR 31 Ca 0.00 1.48 -0.17 0.00 -1.01 0.00 0.00 57.07 57.38 1wsw s TYR 31 Cb 0.00 -2.97 -0.04 0.00 -0.11 0.00 0.00 41.96 38.84 1wsw s TYR 31 CO 0.00 -1.45 0.42 -1.21 -1.11 0.00 0.00 175.55 172.20 1wsw s GLU 32 N -4.85 4.23 -0.12 -0.62 2.02 -0.70 -4.27 118.70 114.38 1wsw s GLU 32 Ca 0.60 0.28 0.02 0.00 0.02 0.00 0.00 54.97 55.90 1wsw s GLU 32 Cb -0.16 -3.50 0.01 0.00 0.10 0.00 0.00 34.13 30.58 1wsw s GLU 32 CO 0.53 0.03 -0.19 0.08 0.02 0.00 0.00 175.26 175.72 1wsw s VAL 33 N 1.09 1.82 -0.29 2.63 1.01 -1.26 -0.50 120.40 124.90 1wsw s VAL 33 Ca 0.21 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 1wsw s VAL 33 Cb -0.15 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.64 1wsw s VAL 33 CO 0.08 0.50 0.02 -0.62 0.00 0.00 0.00 175.10 175.08 1wsw s ASP 34 N 0.80 4.83 -0.29 3.32 -1.08 0.37 -4.99 116.67 119.63 1wsw s ASP 34 Ca -0.09 -0.95 -0.06 0.00 -0.52 0.00 0.00 52.55 50.93 1wsw s ASP 34 Cb -0.16 -1.77 0.01 0.00 -1.46 0.00 0.00 42.92 39.55 1wsw s ASP 34 CO 0.00 -0.21 0.06 -0.55 0.52 0.00 0.00 175.17 175.00 1wsw s SER 35 N 1.37 5.03 -0.03 -0.34 0.15 -1.26 -0.86 113.70 117.76 1wsw s SER 35 Ca -0.01 -0.72 0.05 0.00 0.70 0.00 0.00 55.95 55.98 1wsw s SER 35 Cb -0.18 -1.86 -0.01 0.00 -1.71 0.00 0.00 66.02 62.27 1wsw s SER 35 CO -0.01 -0.18 -0.19 -0.13 1.20 0.00 0.00 173.24 173.94 1wsw s ARG 36 N 1.48 1.68 0.24 5.44 0.52 0.18 -4.97 118.95 123.52 1wsw s ARG 36 Ca 0.02 -0.67 -0.30 0.00 -0.52 0.00 0.00 55.73 54.27 1wsw s ARG 36 Cb -0.17 -1.55 -0.09 0.00 0.52 0.00 0.00 34.95 33.66 1wsw s ARG 36 CO 0.02 0.35 1.06 0.34 0.02 0.00 0.00 175.30 177.09 1wsw s ASP 37 N -0.27 7.35 0.49 0.23 -1.08 -1.26 -1.05 116.67 121.09 1wsw s ASP 37 Ca 0.03 2.14 0.22 0.00 -0.52 0.00 0.00 52.55 54.42 1wsw s ASP 37 Cb -0.09 -2.62 1.27 0.00 -1.46 0.00 0.00 42.92 40.02 1wsw s ASP 37 CO 0.00 -0.10 1.96 0.00 0.52 0.00 0.00 175.17 177.56 1wsw h ALA 38 N 4.28 2.37 0.00 3.66 0.00 0.55 0.42 119.26 130.54 1wsw h ALA 38 Ca -0.46 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1wsw h ALA 38 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1wsw h ALA 38 CO 0.69 -0.54 -0.00 0.00 0.00 0.00 0.00 179.25 179.39 1wsw h ALA 39 N 1.69 1.13 -0.01 0.00 0.00 -1.78 -2.88 119.26 117.42 1wsw h ALA 39 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1wsw h ALA 39 Cb 0.98 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1wsw h ALA 39 CO -0.05 0.00 -0.71 -1.13 0.00 0.00 0.00 179.25 177.36 1wsw n SER 40 N -3.28 1.47 -4.90 0.00 3.41 0.15 -4.99 113.62 105.48 1wsw n SER 40 Ca -0.03 -1.23 -0.23 0.00 -0.26 0.00 0.00 58.87 57.12 1wsw n SER 40 Cb 0.08 0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 64.73 1wsw n SER 40 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1wsw s VAL 41 N -2.66 4.94 0.01 -3.33 -7.23 -1.09 -5.05 120.40 105.99 1wsw s VAL 41 Ca 0.13 -1.05 0.03 0.00 -1.81 0.00 0.00 61.98 59.28 1wsw s VAL 41 Cb 0.16 -3.63 -0.03 0.00 0.56 0.00 0.00 36.38 33.44 1wsw s VAL 41 CO 0.69 -0.25 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.56 1wsw s GLU 42 N -3.65 2.56 0.25 4.82 0.41 -1.26 -4.95 118.70 116.87 1wsw s GLU 42 Ca 0.33 -0.72 0.04 0.00 -0.41 0.00 0.00 54.97 54.21 1wsw s GLU 42 Cb -0.09 -2.51 0.30 0.00 -1.78 0.00 0.00 34.13 30.05 1wsw s GLU 42 CO 0.27 0.60 1.60 0.00 -0.49 0.00 0.00 175.26 177.24 1wsw h ALA 43 N 4.47 0.92 -1.83 5.21 0.00 -1.91 -3.39 119.26 122.73 1wsw h ALA 43 Ca -0.48 -0.50 -0.58 0.00 0.00 0.00 0.00 54.91 53.34 1wsw h ALA 43 Cb 1.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1wsw h ALA 43 CO 0.54 0.68 1.51 0.41 0.00 0.00 0.00 179.25 182.39 1wsw n GLY 44 N 0.12 0.85 2.27 0.00 0.00 -1.26 -1.16 105.19 106.02 1wsw n GLY 44 Ca -0.02 0.78 -0.01 0.00 0.00 0.00 0.00 46.02 46.77 1wsw n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wsw n GLY 45 N 5.89 0.45 0.28 -0.02 0.00 0.52 -4.88 105.19 107.44 1wsw n GLY 45 Ca 0.32 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 46.24 1wsw n GLY 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wsw h LEU 46 N 0.00 0.24 -0.83 0.99 5.85 -1.18 -1.81 115.31 118.57 1wsw h LEU 46 Ca -0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1wsw h LEU 46 Cb 0.32 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1wsw h LEU 46 CO 0.04 0.19 -0.22 0.49 -0.34 0.00 0.00 178.44 178.60 1wsw n PHE 47 N -4.49 0.00 -1.63 1.25 3.72 -0.20 -4.92 117.46 111.18 1wsw n PHE 47 Ca 0.00 0.00 -0.58 0.00 -0.05 0.00 0.00 57.45 56.82 1wsw n PHE 47 Cb 0.09 -0.06 -0.08 0.00 -0.94 0.00 0.00 39.48 38.49 1wsw n PHE 47 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1wsw n GLU 48 N -0.16 0.92 -0.01 -1.08 -0.58 -0.68 -1.71 120.64 117.34 1wsw n GLU 48 Ca 0.13 0.32 0.00 0.00 -0.42 0.00 0.00 57.16 57.19 1wsw n GLU 48 Cb 0.40 -2.05 0.00 0.00 -0.57 0.00 0.00 31.44 29.22 1wsw n GLU 48 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wsw n GLY 49 N 4.87 0.45 3.83 0.62 0.00 -1.26 -5.04 105.19 108.65 1wsw n GLY 49 Ca 0.32 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 1wsw n GLY 49 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wsw s PHE 50 N -2.16 3.76 -0.04 1.61 0.08 -0.70 -4.85 117.98 115.68 1wsw s PHE 50 Ca 0.00 1.13 0.12 0.00 0.12 0.00 0.00 56.93 58.30 1wsw s PHE 50 Cb 0.00 -2.39 -0.06 0.00 -0.57 0.00 0.00 43.02 39.99 1wsw s PHE 50 CO 0.00 0.60 1.35 -0.44 -0.10 0.00 0.00 175.22 176.63 1wsw h ASP 51 N 4.51 0.00 -3.70 1.36 3.32 -0.43 -3.45 116.42 118.03 1wsw h ASP 51 Ca -0.50 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.31 1wsw h ASP 51 Cb 1.21 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.48 1wsw h ASP 51 CO 0.63 0.73 -0.70 -0.22 -1.72 0.00 0.00 179.24 177.95 1wsw s LEU 52 N -6.54 1.77 -0.09 1.55 2.96 -0.82 -4.20 118.68 113.31 1wsw s LEU 52 Ca 0.02 0.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 1wsw s LEU 52 Cb 0.09 0.05 0.01 0.00 0.50 0.00 0.00 46.19 46.84 1wsw s LEU 52 CO 0.78 -0.03 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.93 1wsw s VAL 53 N 0.19 1.50 -0.17 1.68 1.01 -0.59 -1.46 120.40 122.56 1wsw s VAL 53 Ca -0.02 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 1wsw s VAL 53 Cb -0.02 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 1wsw s VAL 53 CO -0.01 0.44 -0.10 -0.76 0.00 0.00 0.00 175.10 174.67 1wsw s LEU 54 N 0.65 2.72 -0.16 3.92 1.43 0.70 -1.99 118.68 125.96 1wsw s LEU 54 Ca -0.14 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.54 1wsw s LEU 54 Cb -0.16 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1wsw s LEU 54 CO 0.04 0.07 -0.06 -0.76 0.23 0.00 0.00 176.35 175.87 1wsw s LEU 55 N 0.95 3.10 -0.07 1.79 1.43 -0.82 -0.69 118.68 124.37 1wsw s LEU 55 Ca -0.02 -0.20 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 1wsw s LEU 55 Cb -0.15 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1wsw s LEU 55 CO -0.01 0.14 -0.20 -0.83 0.23 0.00 0.00 176.35 175.69 1wsw s GLY 56 N 0.51 1.10 -0.23 -3.19 0.00 0.24 -0.71 107.32 105.04 1wsw s GLY 56 Ca -0.04 -0.79 -0.14 0.00 0.00 0.00 0.00 44.72 43.75 1wsw s GLY 56 CO 0.03 -0.29 0.56 0.00 0.00 0.00 0.00 173.10 173.40 1wsw s SER 58 N 1.40 4.62 -0.03 0.00 1.04 -1.17 -3.71 113.70 115.85 1wsw s SER 58 Ca -0.09 0.70 0.07 0.00 0.48 0.00 0.00 55.95 57.11 1wsw s SER 58 Cb -0.06 -1.24 -0.02 0.00 0.10 0.00 0.00 66.02 64.79 1wsw s SER 58 CO -0.15 -1.81 -0.25 -0.89 0.98 0.00 0.00 173.24 171.13 1wsw s THR 59 N -3.48 2.15 0.38 2.02 2.01 -1.19 -1.45 115.64 116.07 1wsw s THR 59 Ca 0.61 -1.07 0.05 0.00 0.31 0.00 0.00 61.69 61.60 1wsw s THR 59 Cb -0.11 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 1wsw s THR 59 CO 0.48 0.58 0.19 0.26 -0.69 0.00 0.00 174.62 175.44 1wsw s TRP 60 N -0.55 1.75 0.00 4.92 0.52 -0.28 -4.93 118.94 120.37 1wsw s TRP 60 Ca 0.08 -1.44 0.00 0.00 0.02 0.00 0.00 56.10 54.76 1wsw s TRP 60 Cb -0.11 -0.97 0.00 0.00 -1.15 0.00 0.00 33.47 31.24 1wsw s TRP 60 CO -0.00 -0.54 0.00 0.41 0.02 0.00 0.00 176.95 176.84 1wsw n GLY 61 N -0.79 1.97 0.23 0.98 0.00 -1.26 -0.79 105.19 105.53 1wsw n GLY 61 Ca -0.01 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1wsw n GLY 61 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wsw n ASP 62 N 0.00 0.00 -0.74 1.61 2.03 -1.26 -4.79 116.55 113.40 1wsw n ASP 62 Ca 0.00 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.40 1wsw n ASP 62 Cb 0.00 -0.32 0.26 0.00 -0.72 0.00 0.00 41.12 40.35 1wsw n ASP 62 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1wsw n ASP 63 N -2.34 2.17 -4.02 1.67 10.43 -1.26 -4.61 116.55 118.58 1wsw n ASP 63 Ca 0.00 -1.89 -0.17 0.00 2.57 0.00 0.00 54.79 55.29 1wsw n ASP 63 Cb 0.00 -0.21 -0.14 0.00 1.84 0.00 0.00 41.12 42.60 1wsw n ASP 63 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1wsw s ILE 65 N -0.32 3.65 -0.14 0.00 1.01 -1.26 -4.37 121.20 119.76 1wsw s ILE 65 Ca 0.02 1.00 0.01 0.00 0.00 0.00 0.00 60.65 61.68 1wsw s ILE 65 Cb -0.04 -3.64 -0.00 0.00 0.01 0.00 0.00 42.46 38.79 1wsw s ILE 65 CO -0.00 -0.02 -0.17 -0.70 0.00 0.00 0.00 174.94 174.04 1wsw s GLU 66 N 2.73 3.18 0.52 2.79 -6.30 0.03 -4.98 118.70 116.68 1wsw s GLU 66 Ca 0.66 -0.78 -0.18 0.00 -2.50 0.00 0.00 54.97 52.17 1wsw s GLU 66 Cb -0.32 -2.55 -0.07 0.00 0.00 0.00 0.00 34.13 31.20 1wsw s GLU 66 CO 0.27 0.07 1.02 -0.51 0.02 0.00 0.00 175.26 176.12 1wsw s LEU 67 N 0.67 3.67 0.13 2.70 1.02 -1.26 -1.13 118.68 124.48 1wsw s LEU 67 Ca -0.09 1.75 -0.34 0.00 0.02 0.00 0.00 54.13 55.47 1wsw s LEU 67 Cb -0.16 -4.53 -0.17 0.00 0.02 0.00 0.00 46.19 41.35 1wsw s LEU 67 CO 0.02 -0.80 1.05 1.67 0.02 0.00 0.00 176.35 178.31 1wsw n GLN 68 N -1.47 0.67 0.26 1.70 0.00 -0.53 -4.76 117.38 113.25 1wsw n GLN 68 Ca 0.08 0.24 0.10 0.00 -0.00 0.00 0.00 57.00 57.41 1wsw n GLN 68 Cb 0.53 -1.66 0.69 0.00 0.00 0.00 0.00 30.24 29.80 1wsw n GLN 68 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1wsw h ASP 69 N 2.97 0.00 1.29 1.69 3.45 -1.94 -0.75 116.42 123.13 1wsw h ASP 69 Ca -0.43 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 56.93 1wsw h ASP 69 Cb 1.38 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.14 1wsw h ASP 69 CO 0.67 0.04 -0.48 0.44 -1.57 0.00 0.00 179.24 178.34 1wsw h ASP 70 N 0.00 0.00 1.63 6.45 3.32 -1.93 -2.42 116.42 123.47 1wsw h ASP 70 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wsw h ASP 70 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1wsw h ASP 70 CO 0.01 0.48 -0.29 0.15 -1.72 0.00 0.00 179.24 177.87 1wsw h PHE 71 N 0.00 0.00 -0.61 4.55 3.04 -1.45 -3.37 116.94 119.10 1wsw h PHE 71 Ca -0.00 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 1wsw h PHE 71 Cb 1.25 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.73 1wsw h PHE 71 CO 0.00 0.00 0.27 0.82 -2.02 0.00 0.00 178.31 177.38 1wsw h ILE 72 N 0.00 1.21 0.00 1.41 2.04 -0.92 0.96 117.51 122.20 1wsw h ILE 72 Ca 0.00 -0.62 -0.08 0.00 1.00 0.00 0.00 64.86 65.16 1wsw h ILE 72 Cb 0.96 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1wsw h ILE 72 CO 0.00 0.25 -0.39 -0.65 0.00 0.00 0.00 178.15 177.36 1wsw h PRO 73 N 0.87 0.00 -0.21 2.37 0.11 -1.75 -0.66 132.00 132.74 1wsw h PRO 73 Ca 0.21 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.22 1wsw h PRO 73 Cb 0.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 1wsw h PRO 73 CO -0.02 0.39 -0.28 1.25 -0.21 0.00 0.00 178.00 179.13 1wsw h LEU 74 N 0.00 0.61 -0.76 2.35 5.85 -1.13 -2.11 115.31 120.12 1wsw h LEU 74 Ca -0.00 -0.51 0.04 0.00 0.84 0.00 0.00 57.88 58.25 1wsw h LEU 74 Cb 0.92 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 1wsw h LEU 74 CO 0.05 1.00 0.47 0.15 -0.34 0.00 0.00 178.44 179.77 1wsw h PHE 75 N 0.24 0.88 0.00 1.25 3.57 -0.49 0.06 116.94 122.45 1wsw h PHE 75 Ca 0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1wsw h PHE 75 Cb 0.85 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.31 1wsw h PHE 75 CO 0.08 0.48 0.00 -0.44 -2.23 0.00 0.00 178.31 176.20 1wsw h ASP 76 N 0.90 0.00 0.00 0.41 5.19 -1.00 -2.40 116.42 119.52 1wsw h ASP 76 Ca 0.32 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.70 1wsw h ASP 76 Cb 0.08 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.53 1wsw h ASP 76 CO -0.14 0.00 -0.49 -1.20 -3.12 0.00 0.00 179.24 174.29 1wsw n SER 77 N -2.44 1.64 0.28 6.45 7.64 -0.13 -4.75 113.62 122.31 1wsw n SER 77 Ca 0.01 -3.38 0.15 0.00 1.01 0.00 0.00 58.87 56.67 1wsw n SER 77 Cb 0.20 -0.46 0.90 0.00 -1.01 0.00 0.00 64.21 63.84 1wsw n SER 77 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1wsw h LEU 78 N 0.77 0.00 -0.57 -3.43 3.38 -0.64 -1.48 115.31 113.34 1wsw h LEU 78 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1wsw h LEU 78 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1wsw h LEU 78 CO 0.02 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 176.71 1wsw n GLU 79 N -3.85 0.08 -0.26 1.13 0.00 -1.26 -2.26 120.64 114.22 1wsw n GLU 79 Ca -0.02 0.48 0.09 0.00 0.00 0.00 0.00 57.16 57.70 1wsw n GLU 79 Cb 0.13 -1.71 0.23 0.00 0.00 0.00 0.00 31.44 30.08 1wsw n GLU 79 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1wsw n GLU 80 N -1.88 2.78 0.04 3.44 1.02 -0.56 -4.61 120.64 120.87 1wsw n GLU 80 Ca 0.01 -2.33 0.11 0.00 -0.02 0.00 0.00 57.16 54.93 1wsw n GLU 80 Cb 0.09 -1.41 0.04 0.00 -0.02 0.00 0.00 31.44 30.14 1wsw n GLU 80 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1wsw n THR 81 N 1.05 0.22 0.00 2.62 -2.24 -0.96 -0.35 114.28 114.62 1wsw n THR 81 Ca 0.18 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1wsw n THR 81 Cb 0.52 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1wsw n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wsw n GLY 82 N 1.35 1.95 0.07 3.38 0.00 -1.26 -1.04 105.19 109.64 1wsw n GLY 82 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1wsw n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wsw n ALA 83 N -0.94 2.30 -1.68 4.61 0.00 -1.26 -4.64 120.51 118.90 1wsw n ALA 83 Ca 0.00 -0.05 -0.45 0.00 0.00 0.00 0.00 53.44 52.94 1wsw n ALA 83 Cb 0.00 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 17.94 1wsw n ALA 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wsw n GLN 84 N -2.03 2.41 -0.91 0.00 6.02 -1.24 -0.74 117.38 120.88 1wsw n GLN 84 Ca 0.06 0.88 0.00 0.00 -0.01 0.00 0.00 57.00 57.93 1wsw n GLN 84 Cb 0.40 -2.73 0.00 0.00 1.02 0.00 0.00 30.24 28.94 1wsw n GLN 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wsw n GLY 85 N 4.11 0.58 3.76 1.08 0.00 0.17 -4.88 105.19 110.01 1wsw n GLY 85 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1wsw n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wsw s ARG 86 N -0.39 4.54 -0.04 1.61 6.06 0.08 -4.66 118.95 126.16 1wsw s ARG 86 Ca 0.00 1.12 -0.30 0.00 -2.50 0.00 0.00 55.73 54.06 1wsw s ARG 86 Cb 0.00 -3.31 -0.03 0.00 0.06 0.00 0.00 34.95 31.67 1wsw s ARG 86 CO 0.00 0.44 1.10 0.15 -2.50 0.00 0.00 175.30 174.49 1wsw s LYS 87 N -0.66 4.43 0.10 5.12 1.02 -1.26 -1.23 119.74 127.26 1wsw s LYS 87 Ca 0.37 1.56 -0.07 0.00 0.02 0.00 0.00 55.97 57.85 1wsw s LYS 87 Cb -0.22 -3.50 -0.01 0.00 -0.52 0.00 0.00 37.83 33.58 1wsw s LYS 87 CO 0.25 -0.30 0.16 0.14 -0.92 0.00 0.00 175.35 174.68 1wsw s VAL 88 N 1.73 0.14 0.08 3.17 -7.23 -0.10 -1.54 120.40 116.64 1wsw s VAL 88 Ca 0.53 -1.40 -0.19 0.00 -1.81 0.00 0.00 61.98 59.12 1wsw s VAL 88 Cb -0.23 -1.54 0.04 0.00 0.56 0.00 0.00 36.38 35.22 1wsw s VAL 88 CO 0.23 -0.62 0.45 0.00 -0.31 0.00 0.00 175.10 174.85 1wsw s ALA 89 N -3.91 -1.10 0.23 1.32 0.00 -0.84 -0.73 121.76 116.73 1wsw s ALA 89 Ca 0.09 0.27 0.08 0.00 0.00 0.00 0.00 51.96 52.41 1wsw s ALA 89 Cb 0.05 0.51 -0.05 0.00 0.00 0.00 0.00 23.12 23.63 1wsw s ALA 89 CO -0.07 -0.55 -0.14 0.00 0.00 0.00 0.00 175.76 175.00 1wsw s PHE 91 N -2.91 0.05 -0.22 0.00 -0.71 0.11 -2.12 117.98 112.18 1wsw s PHE 91 Ca 0.25 -0.43 -0.32 0.00 -1.04 0.00 0.00 56.93 55.39 1wsw s PHE 91 Cb -0.01 0.39 0.16 0.00 -1.21 0.00 0.00 43.02 42.35 1wsw s PHE 91 CO 0.09 -1.02 1.22 0.20 -1.34 0.00 0.00 175.22 174.37 1wsw s GLY 92 N -2.94 -0.15 0.05 1.99 0.00 -0.03 -1.50 107.32 104.74 1wsw s GLY 92 Ca 0.15 2.14 0.02 0.00 0.00 0.00 0.00 44.72 47.03 1wsw s GLY 92 CO 0.04 0.85 0.08 0.00 0.00 0.00 0.00 173.10 174.07 1wsw n GLY 94 N 0.70 2.79 3.37 0.00 0.00 0.11 -3.15 105.19 109.00 1wsw n GLY 94 Ca -0.10 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 45.05 1wsw n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wsw s ASP 95 N 1.49 -0.54 0.00 1.61 -1.08 -1.26 -1.96 116.67 114.93 1wsw s ASP 95 Ca 0.00 1.13 0.24 0.00 -0.52 0.00 0.00 52.55 53.40 1wsw s ASP 95 Cb 0.00 1.41 1.31 0.00 -1.46 0.00 0.00 42.92 44.18 1wsw s ASP 95 CO 0.00 -0.22 1.79 -1.54 0.52 0.00 0.00 175.17 175.72 1wsw n SER 96 N 5.06 0.00 -0.15 -0.34 3.41 -1.26 -1.91 113.62 118.43 1wsw n SER 96 Ca -0.13 -0.38 0.15 0.00 -0.26 0.00 0.00 58.87 58.24 1wsw n SER 96 Cb 0.51 -0.15 0.80 0.00 -0.26 0.00 0.00 64.21 65.11 1wsw n SER 96 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wsw n SER 97 N -1.15 0.48 -5.03 4.04 3.41 -1.26 -4.81 113.62 109.30 1wsw n SER 97 Ca 0.14 -1.18 -0.20 0.00 -0.26 0.00 0.00 58.87 57.38 1wsw n SER 97 Cb 0.14 -0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.15 1wsw n SER 97 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1wsw s TYR 98 N -2.00 1.39 0.07 7.33 2.02 -0.80 -5.03 117.35 120.33 1wsw s TYR 98 Ca 0.44 -0.73 0.07 0.00 -0.37 0.00 0.00 57.07 56.48 1wsw s TYR 98 Cb 0.21 -2.20 -0.22 0.00 -0.40 0.00 0.00 41.96 39.35 1wsw s TYR 98 CO 0.35 -1.15 1.08 0.93 -1.57 0.00 0.00 175.55 175.19 1wsw h GLU 99 N 0.18 0.03 -3.87 -0.62 4.39 -1.86 -3.41 114.58 109.42 1wsw h GLU 99 Ca -0.30 -0.05 -0.63 0.00 0.34 0.00 0.00 59.36 58.72 1wsw h GLU 99 Cb 1.29 0.02 -0.40 0.00 -0.10 0.00 0.00 28.75 29.56 1wsw h GLU 99 CO 0.41 0.88 -0.71 0.71 -1.16 0.00 0.00 179.01 179.14 1wsw s TYR 100 N -2.67 2.90 -0.08 4.33 2.02 -1.26 -5.06 117.35 117.53 1wsw s TYR 100 Ca -0.01 -2.68 -0.29 0.00 -0.37 0.00 0.00 57.07 53.71 1wsw s TYR 100 Cb 0.09 -2.48 -0.06 0.00 -0.40 0.00 0.00 41.96 39.12 1wsw s TYR 100 CO 0.83 -0.86 1.74 0.12 -1.57 0.00 0.00 175.55 175.81 1wsw s PHE 101 N 0.69 1.81 -1.48 2.71 5.36 -1.26 -2.37 117.98 123.44 1wsw s PHE 101 Ca 0.13 0.15 -0.15 0.00 -0.96 0.00 0.00 56.93 56.10 1wsw s PHE 101 Cb -0.21 -3.99 0.13 0.00 -0.34 0.00 0.00 43.02 38.61 1wsw s PHE 101 CO -0.08 -4.04 0.63 0.00 -1.46 0.00 0.00 175.22 170.27 1wsw h GLY 103 N -1.17 0.00 1.50 0.00 0.00 -1.87 0.63 103.07 102.16 1wsw h GLY 103 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1wsw h GLY 103 CO 0.66 0.00 0.32 0.00 0.00 0.00 0.00 176.54 177.53 1wsw h ALA 104 N 1.87 1.62 -0.61 3.60 0.00 -1.85 -1.12 119.26 122.77 1wsw h ALA 104 Ca 0.07 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1wsw h ALA 104 Cb 0.34 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1wsw h ALA 104 CO -0.00 0.34 0.40 0.28 0.00 0.00 0.00 179.25 180.27 1wsw h VAL 105 N 0.69 1.16 -0.43 0.00 2.07 -1.11 -0.33 116.25 118.29 1wsw h VAL 105 Ca 0.18 -0.29 -0.14 0.00 0.82 0.00 0.00 66.70 67.27 1wsw h VAL 105 Cb -0.06 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1wsw h VAL 105 CO -0.04 0.15 -0.30 0.44 0.02 0.00 0.00 177.57 177.85 1wsw h ASP 106 N 0.83 0.99 0.17 0.57 5.19 -1.53 -0.25 116.42 122.39 1wsw h ASP 106 Ca 0.22 -0.41 -0.00 0.00 -0.62 0.00 0.00 57.03 56.22 1wsw h ASP 106 Cb -0.09 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.14 1wsw h ASP 106 CO -0.05 1.21 -0.11 0.00 -3.12 0.00 0.00 179.24 177.17 1wsw h ALA 107 N 0.85 -0.26 -0.56 3.45 0.00 -0.70 -0.80 119.26 121.23 1wsw h ALA 107 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1wsw h ALA 107 Cb 0.88 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1wsw h ALA 107 CO 0.08 -0.66 0.28 0.82 0.00 0.00 0.00 179.25 179.77 1wsw h ILE 108 N -0.28 1.20 -0.81 0.00 2.04 -0.92 -2.24 117.51 116.50 1wsw h ILE 108 Ca -0.01 -0.55 0.08 0.00 1.00 0.00 0.00 64.86 65.38 1wsw h ILE 108 Cb 0.24 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 36.78 1wsw h ILE 108 CO 0.01 0.23 0.47 -0.33 0.00 0.00 0.00 178.15 178.52 1wsw h GLU 109 N 0.76 0.79 -0.20 2.37 5.08 -0.80 -1.12 114.58 121.47 1wsw h GLU 109 Ca 0.20 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 1wsw h GLU 109 Cb 0.10 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1wsw h GLU 109 CO -0.03 0.52 -0.44 1.49 -1.00 0.00 0.00 179.01 179.55 1wsw h GLU 110 N 0.81 0.48 -0.27 2.33 4.81 -1.01 0.11 114.58 121.84 1wsw h GLU 110 Ca 0.38 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 59.23 1wsw h GLU 110 Cb 0.30 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1wsw h GLU 110 CO -0.22 0.83 -0.34 -0.22 -0.73 0.00 0.00 179.01 178.33 1wsw h LYS 111 N 0.39 0.59 -0.20 1.92 3.64 -1.18 -0.80 116.57 120.93 1wsw h LYS 111 Ca 0.03 -0.27 -0.14 0.00 -1.27 0.00 0.00 60.65 58.99 1wsw h LYS 111 Cb 0.93 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1wsw h LYS 111 CO 0.08 0.85 -0.47 -0.07 -2.27 0.00 0.00 179.45 177.57 1wsw h LEU 112 N 0.50 0.55 -0.38 5.20 3.38 -0.38 -1.34 115.31 122.83 1wsw h LEU 112 Ca 0.05 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 1wsw h LEU 112 Cb 0.83 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1wsw h LEU 112 CO 0.07 0.94 0.01 0.11 0.09 0.00 0.00 178.44 179.66 1wsw h LYS 113 N 0.41 0.67 0.00 1.13 1.57 -0.57 -0.42 116.57 119.36 1wsw h LYS 113 Ca 0.02 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1wsw h LYS 113 Cb 0.98 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 1wsw h LYS 113 CO 0.09 0.76 -0.12 -0.91 -0.57 0.00 0.00 179.45 178.70 1wsw h ASN 114 N 0.50 0.00 -0.34 0.86 -0.26 -0.86 -1.08 115.58 114.40 1wsw h ASN 114 Ca 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 1wsw h ASN 114 Cb 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.72 1wsw h ASN 114 CO 0.02 0.12 0.00 0.18 -1.06 0.00 0.00 177.43 176.69 1wsw n LEU 115 N -4.39 2.44 0.00 1.61 4.77 -0.53 -4.92 117.00 115.98 1wsw n LEU 115 Ca -0.03 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.84 1wsw n LEU 115 Cb 0.19 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1wsw n LEU 115 CO 0.35 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1wsw n GLY 116 N 1.27 0.76 3.80 -0.72 0.00 -0.41 -3.71 105.19 106.18 1wsw n GLY 116 Ca 0.17 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1wsw n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wsw s ALA 117 N -2.00 2.68 -0.64 4.61 0.00 -0.23 0.44 121.76 126.62 1wsw s ALA 117 Ca 0.00 0.32 -0.17 0.00 0.00 0.00 0.00 51.96 52.11 1wsw s ALA 117 Cb 0.00 -3.23 0.14 0.00 0.00 0.00 0.00 23.12 20.03 1wsw s ALA 117 CO 0.00 -1.00 0.67 -2.00 0.00 0.00 0.00 175.76 173.43 1wsw s GLU 118 N -4.37 3.17 -0.11 0.00 2.12 -0.36 -4.57 118.70 114.59 1wsw s GLU 118 Ca 0.62 -1.72 -0.30 0.00 0.36 0.00 0.00 54.97 53.94 1wsw s GLU 118 Cb -0.16 -4.35 -0.03 0.00 0.26 0.00 0.00 34.13 29.84 1wsw s GLU 118 CO 0.43 -1.43 1.39 0.42 -0.54 0.00 0.00 175.26 175.53 1wsw s ILE 119 N 1.79 4.01 -1.11 -3.70 1.01 -1.26 -0.92 121.20 121.02 1wsw s ILE 119 Ca 0.11 1.25 0.23 0.00 0.00 0.00 0.00 60.65 62.24 1wsw s ILE 119 Cb -0.22 -3.81 -0.12 0.00 0.01 0.00 0.00 42.46 38.33 1wsw s ILE 119 CO 0.01 -0.09 1.11 1.33 0.00 0.00 0.00 174.94 177.30 1wsw n VAL 120 N 5.28 0.00 -3.61 2.92 0.24 0.09 -4.91 118.33 118.35 1wsw n VAL 120 Ca 0.15 -0.02 -0.16 0.00 -2.04 0.00 0.00 64.34 62.26 1wsw n VAL 120 Cb 0.44 0.75 -0.07 0.00 -1.47 0.00 0.00 33.84 33.49 1wsw n VAL 120 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1wsw s GLN 121 N -2.94 0.89 0.46 7.34 2.00 -1.26 -4.79 119.66 121.36 1wsw s GLN 121 Ca 0.10 0.35 -0.25 0.00 -2.00 0.00 0.00 55.36 53.57 1wsw s GLN 121 Cb 0.17 0.42 -0.08 0.00 0.80 0.00 0.00 33.01 34.32 1wsw s GLN 121 CO 0.78 -0.23 1.39 -0.51 -0.50 0.00 0.00 175.29 176.21 1wsw s ASP 122 N -0.77 5.86 0.78 6.67 1.01 -1.26 -4.64 116.67 124.32 1wsw s ASP 122 Ca -0.08 2.83 -0.13 0.00 0.71 0.00 0.00 52.55 55.88 1wsw s ASP 122 Cb -0.02 -2.65 0.07 0.00 1.01 0.00 0.00 42.92 41.33 1wsw s ASP 122 CO 0.06 -1.17 1.18 -0.83 0.21 0.00 0.00 175.17 174.61 1wsw s GLY 123 N -0.64 2.10 -0.20 0.21 0.00 -1.26 -4.88 107.32 102.65 1wsw s GLY 123 Ca 0.62 0.73 -0.16 0.00 0.00 0.00 0.00 44.72 45.91 1wsw s GLY 123 CO 0.53 1.13 0.40 -2.27 0.00 0.00 0.00 173.10 172.89 1wsw s LEU 124 N -5.59 4.16 -0.20 0.66 2.96 -0.90 -5.00 118.68 114.77 1wsw s LEU 124 Ca 0.71 0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 55.13 1wsw s LEU 124 Cb -0.26 -2.52 0.05 0.00 0.50 0.00 0.00 46.19 43.96 1wsw s LEU 124 CO 0.49 -0.08 -0.03 -0.13 -1.32 0.00 0.00 176.35 175.28 1wsw s ARG 125 N 1.31 1.34 -0.19 1.98 0.52 -1.26 -0.85 118.95 121.79 1wsw s ARG 125 Ca 0.19 -0.67 -0.07 0.00 -0.52 0.00 0.00 55.73 54.66 1wsw s ARG 125 Cb -0.15 -2.24 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 1wsw s ARG 125 CO 0.08 -0.54 0.06 0.42 0.02 0.00 0.00 175.30 175.34 1wsw s ILE 126 N 1.59 4.65 -0.23 1.52 1.01 -0.50 -5.00 121.20 124.26 1wsw s ILE 126 Ca -0.02 -0.08 -0.09 0.00 0.00 0.00 0.00 60.65 60.46 1wsw s ILE 126 Cb -0.17 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1wsw s ILE 126 CO -0.07 0.44 0.12 -0.62 0.00 0.00 0.00 174.94 174.81 1wsw s ASP 127 N 0.57 5.79 0.00 3.58 2.15 -1.26 0.04 116.67 127.54 1wsw s ASP 127 Ca 0.03 0.04 0.00 0.00 0.43 0.00 0.00 52.55 53.05 1wsw s ASP 127 Cb -0.13 -2.03 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 1wsw s ASP 127 CO 0.01 0.07 0.00 0.61 -0.17 0.00 0.00 175.17 175.69 1wsw n GLY 128 N 4.23 -2.32 3.69 2.66 0.00 -0.83 -4.81 105.19 107.80 1wsw n GLY 128 Ca -0.16 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 1wsw n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wsw s ASP 129 N -3.10 6.77 0.55 1.61 -1.08 -1.26 -4.77 116.67 115.39 1wsw s ASP 129 Ca 0.00 2.22 0.33 0.00 -0.52 0.00 0.00 52.55 54.59 1wsw s ASP 129 Cb 0.00 -2.56 1.52 0.00 -1.46 0.00 0.00 42.92 40.42 1wsw s ASP 129 CO 0.00 -0.78 2.05 1.55 0.52 0.00 0.00 175.17 178.51 1wsw h PRO 130 N 8.10 0.00 -0.00 4.34 0.13 -1.87 -1.70 132.00 140.99 1wsw h PRO 130 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1wsw h PRO 130 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wsw h PRO 130 CO 0.92 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 178.74 1wsw h ARG 131 N 0.00 0.00 -0.00 0.86 3.08 -1.93 0.48 114.38 116.86 1wsw h ARG 131 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1wsw h ARG 131 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1wsw h ARG 131 CO 0.01 0.00 -0.18 0.00 -1.07 0.00 0.00 179.97 178.72 1wsw n ALA 132 N -2.19 2.90 -1.70 0.04 0.00 -0.64 -3.54 120.51 115.38 1wsw n ALA 132 Ca -0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 53.44 53.07 1wsw n ALA 132 Cb 0.08 -1.27 0.16 0.00 0.00 0.00 0.00 19.45 18.42 1wsw n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wsw n ALA 133 N -0.97 4.13 -0.33 0.00 0.00 0.17 -4.80 120.51 118.70 1wsw n ALA 133 Ca 0.12 -3.43 0.10 0.00 0.00 0.00 0.00 53.44 50.24 1wsw n ALA 133 Cb 0.31 -0.40 0.27 0.00 0.00 0.00 0.00 19.45 19.63 1wsw n ALA 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1wsw h ARG 134 N 1.32 0.73 -0.48 0.00 2.43 -1.57 -1.67 114.38 115.14 1wsw h ARG 134 Ca 0.13 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1wsw h ARG 134 Cb 1.20 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 1wsw h ARG 134 CO 0.26 0.48 0.06 -0.44 -1.51 0.00 0.00 179.97 178.82 1wsw h ASP 135 N 0.75 0.77 -0.54 -3.80 3.32 -1.91 -0.38 116.42 114.62 1wsw h ASP 135 Ca 0.52 -0.27 0.06 0.00 0.02 0.00 0.00 57.03 57.36 1wsw h ASP 135 Cb 0.74 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.03 1wsw h ASP 135 CO -0.36 0.85 0.24 0.44 -1.72 0.00 0.00 179.24 178.69 1wsw h ASP 136 N 0.66 0.31 -0.09 6.45 3.32 -1.70 0.29 116.42 125.67 1wsw h ASP 136 Ca 0.14 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1wsw h ASP 136 Cb 0.41 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1wsw h ASP 136 CO 0.01 0.21 -0.00 0.40 -1.72 0.00 0.00 179.24 178.14 1wsw h ILE 137 N 0.46 1.26 -0.59 0.35 2.04 -1.09 0.98 117.51 120.93 1wsw h ILE 137 Ca 0.25 -0.83 -0.08 0.00 1.00 0.00 0.00 64.86 65.20 1wsw h ILE 137 Cb 0.22 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1wsw h ILE 137 CO -0.21 0.23 0.03 0.58 0.00 0.00 0.00 178.15 178.78 1wsw h VAL 138 N -0.12 1.26 -0.81 1.67 2.07 -0.97 0.01 116.25 119.36 1wsw h VAL 138 Ca 0.03 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 1wsw h VAL 138 Cb 0.37 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1wsw h VAL 138 CO 0.01 0.39 0.35 1.23 0.02 0.00 0.00 177.57 179.57 1wsw h GLY 139 N 1.01 1.28 0.82 2.17 0.00 0.03 -0.10 103.07 108.28 1wsw h GLY 139 Ca 0.17 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 1wsw h GLY 139 CO 0.02 0.64 0.01 -0.25 0.00 0.00 0.00 176.54 176.96 1wsw h TRP 140 N 1.17 0.37 -0.89 5.60 7.01 0.18 0.58 115.95 129.96 1wsw h TRP 140 Ca 0.27 -0.06 0.12 0.00 2.11 0.00 0.00 58.89 61.33 1wsw h TRP 140 Cb 0.18 -0.10 -0.07 0.00 -2.10 0.00 0.00 29.16 27.07 1wsw h TRP 140 CO 0.02 0.52 0.57 0.00 -2.79 0.00 0.00 178.44 176.77 1wsw h ALA 141 N 0.80 1.74 -0.31 2.65 0.00 -0.75 0.17 119.26 123.56 1wsw h ALA 141 Ca 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1wsw h ALA 141 Cb 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1wsw h ALA 141 CO 0.01 0.05 0.10 1.25 0.00 0.00 0.00 179.25 180.65 1wsw h HIS 142 N 0.78 0.50 -0.69 0.00 -0.00 -0.22 -1.82 115.15 113.70 1wsw h HIS 142 Ca 0.43 -0.05 -0.07 0.00 -0.00 0.00 0.00 60.37 60.68 1wsw h HIS 142 Cb 0.58 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.82 1wsw h HIS 142 CO -0.00 0.51 0.16 -0.44 -0.00 0.00 0.00 177.93 178.16 1wsw h ASP 143 N 0.34 1.06 0.64 3.26 3.32 -0.34 0.76 116.42 125.46 1wsw h ASP 143 Ca 0.10 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 1wsw h ASP 143 Cb 0.25 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1wsw h ASP 143 CO -0.00 1.02 -0.40 0.58 -1.72 0.00 0.00 179.24 178.72 1wsw h VAL 144 N 1.04 0.20 -0.74 -1.35 2.07 -0.35 -1.08 116.25 116.04 1wsw h VAL 144 Ca 0.21 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.90 1wsw h VAL 144 Cb 0.39 0.20 -0.11 0.00 -1.52 0.00 0.00 31.29 30.24 1wsw h VAL 144 CO 0.00 0.00 0.19 0.03 0.02 0.00 0.00 177.57 177.81 1wsw h ARG 145 N -0.98 0.27 0.00 1.57 3.08 -1.23 0.10 114.38 117.19 1wsw h ARG 145 Ca -0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1wsw h ARG 145 Cb 0.79 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1wsw h ARG 145 CO 0.08 0.18 0.00 0.41 -1.07 0.00 0.00 179.97 179.57 1wsw n GLY 146 N -1.35 -0.87 0.71 0.04 0.00 0.25 -2.12 105.19 101.84 1wsw n GLY 146 Ca 0.14 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.22 1wsw n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wsw n ALA 147 N -1.44 2.82 0.45 4.61 0.00 0.35 -5.05 120.51 122.24 1wsw n ALA 147 Ca 0.04 -0.65 0.04 0.00 0.00 0.00 0.00 53.44 52.87 1wsw n ALA 147 Cb 0.14 -0.72 0.21 0.00 0.00 0.00 0.00 19.45 19.08 1wsw n ALA 147 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61