#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wky s THR 5 N 0.00 3.11 0.39 5.15 2.01 -1.26 -3.88 115.64 121.15 2wky s THR 5 Ca 0.00 -0.76 -0.25 0.00 0.31 0.00 0.00 61.69 60.99 2wky s THR 5 Cb 0.00 -2.49 -0.09 0.00 0.01 0.00 0.00 72.50 69.94 2wky s THR 5 CO 0.00 0.32 1.08 -0.76 -0.69 0.00 0.00 174.62 174.56 2wky s LEU 6 N 1.40 4.19 -0.25 4.42 1.43 0.17 -4.83 118.68 125.21 2wky s LEU 6 Ca 0.03 2.12 -0.11 0.00 -1.03 0.00 0.00 54.13 55.14 2wky s LEU 6 Cb -0.15 -4.10 -0.05 0.00 0.03 0.00 0.00 46.19 41.92 2wky s LEU 6 CO -0.04 -0.50 0.19 -0.63 0.23 0.00 0.00 176.35 175.59 2wky s ILE 7 N -1.56 5.33 -0.28 -0.59 1.01 -1.26 -0.63 121.20 123.22 2wky s ILE 7 Ca 0.56 0.23 -0.03 0.00 0.00 0.00 0.00 60.65 61.41 2wky s ILE 7 Cb -0.25 -3.53 0.03 0.00 0.01 0.00 0.00 42.46 38.72 2wky s ILE 7 CO 0.31 0.31 -0.01 -0.69 0.00 0.00 0.00 174.94 174.87 2wky s VAL 8 N 1.26 3.19 0.12 2.92 1.01 -0.50 0.51 120.40 128.91 2wky s VAL 8 Ca 0.08 -1.05 -0.24 0.00 0.00 0.00 0.00 61.98 60.78 2wky s VAL 8 Cb -0.14 -2.69 -0.07 0.00 0.00 0.00 0.00 36.38 33.48 2wky s VAL 8 CO 0.06 0.08 0.73 0.28 0.00 0.00 0.00 175.10 176.25 2wky s THR 9 N 1.35 4.53 0.14 3.92 -1.32 0.51 -0.99 115.64 123.77 2wky s THR 9 Ca -0.01 1.59 -0.01 0.00 -1.21 0.00 0.00 61.69 62.05 2wky s THR 9 Cb -0.18 -4.09 0.00 0.00 -1.51 0.00 0.00 72.50 66.73 2wky s THR 9 CO -0.02 0.49 0.20 1.07 -2.21 0.00 0.00 174.62 174.15 2wky n THR 10 N 1.92 0.00 -3.76 5.08 5.66 -0.91 -2.65 114.28 119.63 2wky n THR 10 Ca -0.06 -0.65 -0.13 0.00 -3.05 0.00 0.00 64.05 60.16 2wky n THR 10 Cb 0.49 0.41 -0.09 0.00 -1.55 0.00 0.00 70.33 69.60 2wky n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2wky s ILE 11 N -2.59 0.04 0.03 1.09 2.07 -1.26 -0.61 121.20 119.96 2wky s ILE 11 Ca 0.11 -0.30 -0.30 0.00 -1.41 0.00 0.00 60.65 58.74 2wky s ILE 11 Cb -0.01 -0.57 -0.06 0.00 0.13 0.00 0.00 42.46 41.96 2wky s ILE 11 CO 0.08 -0.16 1.30 -0.76 -1.91 0.00 0.00 174.94 173.49 2wky s LEU 12 N -0.78 4.34 -0.30 8.50 1.43 -1.26 -4.52 118.68 126.09 2wky s LEU 12 Ca -0.09 2.07 -0.13 0.00 -1.03 0.00 0.00 54.13 54.95 2wky s LEU 12 Cb -0.04 -3.57 0.16 0.00 0.03 0.00 0.00 46.19 42.76 2wky s LEU 12 CO 0.03 -0.61 0.88 -0.70 0.23 0.00 0.00 176.35 176.18 2wky s GLU 13 N 1.73 0.38 0.21 1.70 2.56 -0.47 -4.96 118.70 119.85 2wky s GLU 13 Ca 0.61 0.95 -0.30 0.00 0.00 0.00 0.00 54.97 56.23 2wky s GLU 13 Cb -0.31 0.57 -0.08 0.00 2.00 0.00 0.00 34.13 36.31 2wky s GLU 13 CO 0.27 -0.14 1.20 -1.21 -0.56 0.00 0.00 175.26 174.82 2wky s GLU 14 N 2.61 4.49 -0.34 4.30 2.02 -1.26 0.00 118.70 130.52 2wky s GLU 14 Ca -0.03 1.91 0.08 0.00 0.02 0.00 0.00 54.97 56.95 2wky s GLU 14 Cb -0.08 -3.22 0.63 0.00 0.10 0.00 0.00 34.13 31.57 2wky s GLU 14 CO -0.18 -0.07 1.71 -0.35 0.02 0.00 0.00 175.26 176.39 2wky n PRO 15 N 2.20 2.63 -0.03 0.39 -0.04 -1.26 -4.95 135.00 133.94 2wky n PRO 15 Ca 0.03 -3.07 -0.13 0.00 -0.04 0.00 0.00 63.50 60.29 2wky n PRO 15 Cb 0.44 -2.05 -0.11 0.00 -0.04 0.00 0.00 33.50 31.74 2wky n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2wky h TYR 16 N 1.57 -0.01 -3.15 0.54 0.05 -0.76 -1.48 116.97 113.74 2wky h TYR 16 Ca 0.35 -0.00 -0.42 0.00 0.05 0.00 0.00 58.73 58.71 2wky h TYR 16 Cb 2.22 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 39.57 2wky h TYR 16 CO 1.23 0.65 -0.74 0.08 -1.05 0.00 0.00 178.16 178.33 2wky s VAL 17 N -3.51 -0.11 0.04 -2.88 1.01 -0.46 -1.46 120.40 113.03 2wky s VAL 17 Ca -0.17 0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2wky s VAL 17 Cb -0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 2wky s VAL 17 CO 0.67 -0.09 -0.06 -0.04 0.00 0.00 0.00 175.10 175.58 2wky s MET 18 N 2.16 0.51 0.28 2.72 -1.94 0.30 -1.37 119.30 121.96 2wky s MET 18 Ca 0.03 -0.83 -0.29 0.00 -1.71 0.00 0.00 55.69 52.89 2wky s MET 18 Cb -0.14 -0.13 -0.10 0.00 2.01 0.00 0.00 34.83 36.47 2wky s MET 18 CO -0.07 0.00 1.15 0.71 -0.01 0.00 0.00 175.02 176.80 2wky s TYR 19 N -1.88 3.47 0.74 -0.03 2.02 -1.26 -0.37 117.35 120.04 2wky s TYR 19 Ca -0.08 1.62 -0.11 0.00 -0.37 0.00 0.00 57.07 58.14 2wky s TYR 19 Cb -0.07 -3.37 0.04 0.00 -0.40 0.00 0.00 41.96 38.16 2wky s TYR 19 CO -0.01 -0.86 1.08 1.03 -1.57 0.00 0.00 175.55 175.22 2wky s ARG 20 N -1.39 2.51 -0.26 -0.62 0.52 -0.55 -4.80 118.95 114.36 2wky s ARG 20 Ca 0.46 1.03 -0.09 0.00 -0.52 0.00 0.00 55.73 56.61 2wky s ARG 20 Cb -0.33 -1.94 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 2wky s ARG 20 CO 0.43 -1.43 0.14 0.15 0.02 0.00 0.00 175.30 174.61 2wky s LYS 21 N -4.98 3.86 0.09 3.54 1.02 -1.26 -5.00 119.74 117.01 2wky s LYS 21 Ca 0.60 -0.37 -0.12 0.00 0.02 0.00 0.00 55.97 56.10 2wky s LYS 21 Cb -0.16 -3.50 0.01 0.00 -0.52 0.00 0.00 37.83 33.67 2wky s LYS 21 CO 0.56 -0.12 0.28 0.45 -0.92 0.00 0.00 175.35 175.59 2wky s SER 22 N 1.53 -0.05 0.11 2.83 0.15 -1.26 -5.03 113.70 111.98 2wky s SER 22 Ca 0.07 -0.44 0.24 0.00 0.70 0.00 0.00 55.95 56.51 2wky s SER 22 Cb -0.15 0.39 0.21 0.00 -1.71 0.00 0.00 66.02 64.76 2wky s SER 22 CO 0.07 -0.74 1.20 -0.90 1.20 0.00 0.00 173.24 174.07 2wky n ASP 23 N 0.04 0.69 -4.77 5.45 5.68 -1.26 -4.86 116.55 117.53 2wky n ASP 23 Ca -0.16 0.07 -0.25 0.00 -0.50 0.00 0.00 54.79 53.94 2wky n ASP 23 Cb 0.62 0.38 -0.06 0.00 -1.14 0.00 0.00 41.12 40.92 2wky n ASP 23 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2wky s LYS 24 N -3.21 2.78 0.57 0.11 -2.85 -1.26 -5.09 119.74 110.79 2wky s LYS 24 Ca 0.04 -0.99 -0.20 0.00 -1.00 0.00 0.00 55.97 53.82 2wky s LYS 24 Cb 0.13 -2.54 -0.04 0.00 -2.06 0.00 0.00 37.83 33.32 2wky s LYS 24 CO 0.75 0.45 1.26 -2.14 0.10 0.00 0.00 175.35 175.77 2wky s PRO 25 N -3.29 3.06 0.17 1.78 0.02 -1.26 -5.02 135.00 130.46 2wky s PRO 25 Ca 0.31 1.97 0.07 0.00 0.02 0.00 0.00 61.00 63.37 2wky s PRO 25 Cb -0.09 -2.07 -0.04 0.00 0.02 0.00 0.00 34.50 32.32 2wky s PRO 25 CO 0.23 -1.18 0.05 -0.51 -0.33 0.00 0.00 177.00 175.25 2wky s LEU 26 N -3.82 3.48 0.12 -5.54 1.43 -1.26 -5.11 118.68 107.97 2wky s LEU 26 Ca 0.75 -0.31 0.06 0.00 -1.03 0.00 0.00 54.13 53.60 2wky s LEU 26 Cb -0.34 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 2wky s LEU 26 CO 0.38 0.08 -0.14 -0.31 0.23 0.00 0.00 176.35 176.60 2wky s TYR 27 N -1.75 1.38 0.00 0.29 2.02 -1.26 -4.79 117.35 113.24 2wky s TYR 27 Ca 0.29 -0.56 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 2wky s TYR 27 Cb -0.09 -0.72 0.00 0.00 -0.40 0.00 0.00 41.96 40.74 2wky s TYR 27 CO 0.20 0.14 0.00 0.41 -1.57 0.00 0.00 175.55 174.73 2wky n GLY 28 N 0.52 2.19 0.28 0.71 0.00 -1.26 -2.33 105.19 105.31 2wky n GLY 28 Ca -0.15 -0.39 0.16 0.00 0.00 0.00 0.00 46.02 45.63 2wky n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wky h ASN 29 N 6.87 0.00 0.28 1.61 2.35 -1.93 -2.42 115.58 122.35 2wky h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2wky h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2wky h ASN 29 CO 0.00 0.07 0.00 -0.67 -1.65 0.00 0.00 177.43 175.18 2wky n ASP 30 N -3.42 0.50 0.12 5.81 2.03 -0.98 -1.55 116.55 119.05 2wky n ASP 30 Ca -0.02 0.68 0.13 0.00 0.52 0.00 0.00 54.79 56.10 2wky n ASP 30 Cb 0.22 -0.77 0.45 0.00 -0.72 0.00 0.00 41.12 40.30 2wky n ASP 30 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2wky n ARG 31 N -2.12 0.23 -4.43 -0.67 1.74 -0.91 -4.67 116.66 105.83 2wky n ARG 31 Ca 0.00 0.31 -0.26 0.00 -0.77 0.00 0.00 57.85 57.14 2wky n ARG 31 Cb 0.11 -1.84 -0.11 0.00 -1.02 0.00 0.00 32.46 29.60 2wky n ARG 31 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wky s PHE 32 N -3.21 2.32 0.12 -1.55 0.08 -0.60 -1.47 117.98 113.67 2wky s PHE 32 Ca 0.08 -0.34 -0.17 0.00 0.12 0.00 0.00 56.93 56.62 2wky s PHE 32 Cb 0.11 -1.10 0.04 0.00 -0.57 0.00 0.00 43.02 41.50 2wky s PHE 32 CO 0.50 0.58 0.41 -1.83 -0.10 0.00 0.00 175.22 174.78 2wky s GLU 33 N -2.98 1.06 0.00 0.44 -1.05 0.50 -4.75 118.70 111.91 2wky s GLU 33 Ca 0.24 -0.66 0.00 0.00 -0.15 0.00 0.00 54.97 54.40 2wky s GLU 33 Cb -0.07 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 2wky s GLU 33 CO 0.12 -0.41 0.00 0.41 0.95 0.00 0.00 175.26 176.33 2wky n GLY 34 N -0.15 2.18 0.22 -3.83 0.00 -1.26 -0.54 105.19 101.81 2wky n GLY 34 Ca -0.16 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 43.96 2wky n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2wky h TYR 35 N 0.00 0.10 0.00 1.61 3.20 -1.17 -1.36 116.97 119.35 2wky h TYR 35 Ca 0.00 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 2wky h TYR 35 Cb 0.00 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 2wky h TYR 35 CO 0.00 -0.08 -0.26 0.00 -1.64 0.00 0.00 178.16 176.19 2wky h LEU 37 N 0.00 0.55 -0.72 0.00 3.38 -1.40 -1.33 115.31 115.79 2wky h LEU 37 Ca -0.00 -0.47 -0.10 0.00 0.09 0.00 0.00 57.88 57.40 2wky h LEU 37 Cb 0.55 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2wky h LEU 37 CO 0.03 1.28 -0.10 0.44 0.09 0.00 0.00 178.44 180.18 2wky h ASP 38 N 0.22 0.87 -0.21 -0.43 5.19 -1.02 -1.13 116.42 119.90 2wky h ASP 38 Ca -0.10 -0.27 -0.02 0.00 -0.62 0.00 0.00 57.03 56.02 2wky h ASP 38 Cb 1.66 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.93 2wky h ASP 38 CO 0.18 0.99 0.05 0.25 -3.12 0.00 0.00 179.24 177.59 2wky h LEU 39 N 0.79 0.32 -1.11 1.55 5.85 -1.26 -1.40 115.31 120.05 2wky h LEU 39 Ca 0.13 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.69 2wky h LEU 39 Cb 0.62 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 2wky h LEU 39 CO 0.04 0.47 0.61 0.25 -0.34 0.00 0.00 178.44 179.47 2wky h LEU 40 N 0.16 0.93 -0.33 2.25 5.85 -1.00 0.47 115.31 123.63 2wky h LEU 40 Ca 0.07 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 2wky h LEU 40 Cb 0.27 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2wky h LEU 40 CO 0.00 0.58 -0.10 0.50 -0.34 0.00 0.00 178.44 179.08 2wky h LYS 41 N 1.05 0.66 -0.77 1.25 3.64 -0.84 -0.21 116.57 121.34 2wky h LYS 41 Ca 0.41 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2wky h LYS 41 Cb 0.24 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 2wky h LYS 41 CO -0.16 0.84 0.46 0.93 -2.27 0.00 0.00 179.45 179.25 2wky h GLU 42 N 0.44 1.05 -0.38 1.90 4.39 -0.46 -1.15 114.58 120.36 2wky h GLU 42 Ca 0.08 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 2wky h GLU 42 Cb 0.61 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2wky h GLU 42 CO 0.04 0.74 0.02 -0.07 -1.16 0.00 0.00 179.01 178.57 2wky h LEU 43 N 1.05 0.64 -1.70 1.33 3.38 -0.74 -1.68 115.31 117.58 2wky h LEU 43 Ca 0.28 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2wky h LEU 43 Cb -0.03 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 2wky h LEU 43 CO -0.05 0.78 -0.16 0.77 0.09 0.00 0.00 178.44 179.86 2wky h SER 44 N 0.48 0.00 0.49 -0.43 4.64 -0.77 -0.97 113.55 116.98 2wky h SER 44 Ca 0.11 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.17 2wky h SER 44 Cb 0.44 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.54 2wky h SER 44 CO 0.02 0.16 -1.16 0.78 -0.87 0.00 0.00 176.83 175.77 2wky h ASN 45 N 0.00 0.51 -0.07 4.97 4.21 -0.73 0.33 115.58 124.80 2wky h ASN 45 Ca -0.00 -0.49 -0.18 0.00 1.21 0.00 0.00 56.30 56.84 2wky h ASN 45 Cb 0.44 -0.16 0.01 0.00 -1.12 0.00 0.00 38.32 37.49 2wky h ASN 45 CO 0.02 1.34 -0.67 0.40 -1.29 0.00 0.00 177.43 177.23 2wky h ILE 46 N 0.14 1.35 0.00 2.81 2.04 -0.96 -3.30 117.51 119.59 2wky h ILE 46 Ca -0.13 -1.99 0.00 0.00 1.00 0.00 0.00 64.86 63.74 2wky h ILE 46 Cb 1.85 2.30 0.00 0.00 -0.74 0.00 0.00 36.82 40.22 2wky h ILE 46 CO 0.20 0.60 -0.64 0.18 0.00 0.00 0.00 178.15 178.49 2wky n LEU 47 N -4.11 0.66 -2.91 1.44 4.77 -0.40 -5.00 117.00 111.44 2wky n LEU 47 Ca -0.09 0.18 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 2wky n LEU 47 Cb 0.69 -0.19 0.06 0.00 -2.33 0.00 0.00 43.42 41.66 2wky n LEU 47 CO 0.49 -0.02 0.04 0.61 -1.33 0.00 0.00 177.39 177.18 2wky n GLY 48 N 1.36 -0.60 3.29 -0.72 0.00 0.11 -5.04 105.19 103.59 2wky n GLY 48 Ca 0.03 0.30 -0.16 0.00 0.00 0.00 0.00 46.02 46.19 2wky n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wky s PHE 49 N -3.30 1.47 0.22 1.61 -0.12 -1.00 -5.04 117.98 111.81 2wky s PHE 49 Ca 0.27 -0.65 0.05 0.00 -0.05 0.00 0.00 56.93 56.55 2wky s PHE 49 Cb -0.03 -0.72 -0.03 0.00 -0.63 0.00 0.00 43.02 41.60 2wky s PHE 49 CO 0.59 0.21 0.27 -0.51 -0.05 0.00 0.00 175.22 175.72 2wky s LEU 50 N -3.13 4.09 0.03 -1.99 1.43 -1.25 -4.75 118.68 113.11 2wky s LEU 50 Ca 0.18 -0.05 -0.23 0.00 -1.03 0.00 0.00 54.13 53.01 2wky s LEU 50 Cb 0.00 -2.64 0.05 0.00 0.03 0.00 0.00 46.19 43.63 2wky s LEU 50 CO 0.03 -0.02 0.52 -0.72 0.23 0.00 0.00 176.35 176.39 2wky s TYR 51 N -1.97 -0.43 -0.14 0.29 -0.85 -1.26 -0.66 117.35 112.33 2wky s TYR 51 Ca 0.33 0.53 0.01 0.00 -0.52 0.00 0.00 57.07 57.42 2wky s TYR 51 Cb -0.09 0.33 0.02 0.00 0.38 0.00 0.00 41.96 42.60 2wky s TYR 51 CO 0.27 -0.62 -0.15 -0.51 -1.52 0.00 0.00 175.55 173.02 2wky s ASP 52 N -1.83 2.68 -0.03 -0.18 1.01 0.20 -4.90 116.67 113.61 2wky s ASP 52 Ca -0.07 -0.49 -0.28 0.00 0.71 0.00 0.00 52.55 52.43 2wky s ASP 52 Cb -0.01 -1.18 -0.03 0.00 1.01 0.00 0.00 42.92 42.71 2wky s ASP 52 CO 0.00 -0.04 0.91 -0.69 0.21 0.00 0.00 175.17 175.56 2wky s VAL 53 N 1.41 4.91 -0.06 -1.27 1.01 -1.26 -1.40 120.40 123.73 2wky s VAL 53 Ca 0.03 1.90 -0.01 0.00 0.00 0.00 0.00 61.98 63.91 2wky s VAL 53 Cb -0.13 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 32.03 2wky s VAL 53 CO -0.10 0.17 -0.01 -0.75 0.00 0.00 0.00 175.10 174.41 2wky s LYS 54 N 1.08 0.61 0.35 2.72 2.20 -0.16 -4.81 119.74 121.73 2wky s LYS 54 Ca 0.48 0.06 -0.28 0.00 -0.36 0.00 0.00 55.97 55.87 2wky s LYS 54 Cb -0.20 -0.89 -0.10 0.00 -1.51 0.00 0.00 37.83 35.13 2wky s LYS 54 CO 0.24 -0.24 1.36 -0.51 -0.36 0.00 0.00 175.35 175.84 2wky s LEU 55 N 1.66 4.37 0.06 5.43 1.43 -1.26 -2.14 118.68 128.23 2wky s LEU 55 Ca 0.00 2.80 -0.31 0.00 -1.03 0.00 0.00 54.13 55.59 2wky s LEU 55 Cb -0.13 -3.68 -0.08 0.00 0.03 0.00 0.00 46.19 42.33 2wky s LEU 55 CO -0.04 -0.67 1.61 0.54 0.23 0.00 0.00 176.35 178.02 2wky s VAL 56 N -1.15 3.13 0.20 -1.59 0.11 0.21 -4.81 120.40 116.49 2wky s VAL 56 Ca 0.51 0.57 -0.21 0.00 -2.93 0.00 0.00 61.98 59.93 2wky s VAL 56 Cb -0.42 -3.37 0.14 0.00 -1.53 0.00 0.00 36.38 31.21 2wky s VAL 56 CO 0.56 -0.00 1.58 -0.65 -3.33 0.00 0.00 175.10 173.25 2wky h PRO 57 N 8.22 -0.12 -0.04 1.54 0.11 -1.91 -1.33 132.00 138.46 2wky h PRO 57 Ca -0.42 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2wky h PRO 57 Cb 1.20 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2wky h PRO 57 CO 0.93 -0.08 0.00 -0.40 -0.21 0.00 0.00 178.00 178.23 2wky n ASP 58 N -5.44 0.31 -2.80 -2.05 5.68 -1.26 -4.91 116.55 106.08 2wky n ASP 58 Ca 0.05 -1.69 -0.20 0.00 -0.50 0.00 0.00 54.79 52.45 2wky n ASP 58 Cb 0.37 -0.03 0.01 0.00 -1.14 0.00 0.00 41.12 40.33 2wky n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wky n GLY 59 N 0.74 -0.51 3.43 6.12 0.00 -0.50 -4.95 105.19 109.52 2wky n GLY 59 Ca 0.09 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 2wky n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wky s LYS 60 N -5.45 1.56 -0.13 1.61 1.02 -1.26 -5.06 119.74 112.03 2wky s LYS 60 Ca 0.18 -1.72 -0.13 0.00 0.02 0.00 0.00 55.97 54.32 2wky s LYS 60 Cb -0.08 -1.53 -0.11 0.00 -0.52 0.00 0.00 37.83 35.59 2wky s LYS 60 CO 0.22 0.26 0.25 1.88 -0.92 0.00 0.00 175.35 177.04 2wky h TYR 61 N 2.36 0.00 0.00 3.18 0.05 -1.92 -2.27 116.97 118.37 2wky h TYR 61 Ca -0.39 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.39 2wky h TYR 61 Cb 1.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.99 2wky h TYR 61 CO 0.77 0.48 0.00 0.41 -1.05 0.00 0.00 178.16 178.77 2wky n GLY 62 N 1.67 2.10 3.28 3.88 0.00 -1.26 -1.22 105.19 113.64 2wky n GLY 62 Ca -0.08 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 2wky n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wky s ALA 63 N 0.00 0.13 0.13 4.61 0.00 -1.25 -4.92 121.76 120.45 2wky s ALA 63 Ca 0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 2wky s ALA 63 Cb 0.00 0.79 -0.05 0.00 0.00 0.00 0.00 23.12 23.86 2wky s ALA 63 CO 0.00 -0.59 0.33 -0.65 0.00 0.00 0.00 175.76 174.85 2wky s GLN 64 N -3.96 3.55 0.10 0.00 -0.21 -1.26 -2.58 119.66 115.30 2wky s GLN 64 Ca 0.16 -0.24 0.02 0.00 0.02 0.00 0.00 55.36 55.31 2wky s GLN 64 Cb 0.04 -2.90 0.02 0.00 1.00 0.00 0.00 33.01 31.17 2wky s GLN 64 CO -0.02 0.50 0.13 0.27 -2.12 0.00 0.00 175.29 174.05 2wky n ASN 65 N 0.00 0.47 0.25 5.90 0.23 -0.86 -4.94 115.26 116.31 2wky n ASN 65 Ca -0.04 -1.28 0.13 0.00 -0.53 0.00 0.00 54.58 52.86 2wky n ASN 65 Cb 0.52 -0.07 0.60 0.00 -2.08 0.00 0.00 39.78 38.76 2wky n ASN 65 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 2wky h ASP 66 N 0.03 0.00 -0.06 0.53 2.03 -2.00 -1.92 116.42 115.03 2wky h ASP 66 Ca -0.05 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.25 2wky h ASP 66 Cb 0.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 2wky h ASP 66 CO 0.07 0.15 0.00 0.29 -1.03 0.00 0.00 179.24 178.72 2wky n LYS 67 N -3.39 1.34 -1.04 4.15 4.01 -1.26 -4.90 118.16 117.07 2wky n LYS 67 Ca -0.00 -0.50 -0.01 0.00 -0.51 0.00 0.00 58.31 57.28 2wky n LYS 67 Cb 0.34 -1.37 -0.01 0.00 -0.51 0.00 0.00 35.03 33.48 2wky n LYS 67 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2wky n GLY 68 N 0.98 0.49 3.80 0.72 0.00 -0.72 -5.02 105.19 105.44 2wky n GLY 68 Ca 0.16 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 2wky n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wky s GLU 69 N -1.03 4.18 0.38 1.61 2.02 -1.26 -4.78 118.70 119.82 2wky s GLU 69 Ca 0.00 0.68 -0.01 0.00 0.02 0.00 0.00 54.97 55.65 2wky s GLU 69 Cb 0.00 -3.26 -0.03 0.00 0.10 0.00 0.00 34.13 30.94 2wky s GLU 69 CO 0.00 0.59 0.62 -1.58 0.02 0.00 0.00 175.26 174.91 2wky s TRP 70 N -0.91 3.52 0.08 1.61 0.52 -1.26 -2.04 118.94 120.46 2wky s TRP 70 Ca 0.28 0.49 0.02 0.00 0.02 0.00 0.00 56.10 56.92 2wky s TRP 70 Cb -0.19 -2.02 -0.01 0.00 -1.15 0.00 0.00 33.47 30.11 2wky s TRP 70 CO 0.18 0.01 0.07 0.27 0.02 0.00 0.00 176.95 177.50 2wky n ASN 71 N -1.88 -0.14 0.00 2.95 0.23 -1.06 -4.75 115.26 110.61 2wky n ASN 71 Ca -0.03 -1.55 0.00 0.00 -0.53 0.00 0.00 54.58 52.46 2wky n ASN 71 Cb 0.56 0.42 0.00 0.00 -2.08 0.00 0.00 39.78 38.67 2wky n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wky n GLY 72 N -0.10 0.61 0.28 4.83 0.00 -1.26 -2.54 105.19 107.02 2wky n GLY 72 Ca 0.02 -0.80 -0.04 0.00 0.00 0.00 0.00 46.02 45.20 2wky n GLY 72 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2wky h MET 73 N 0.00 0.75 -0.30 1.61 2.86 -0.54 -2.60 114.93 116.72 2wky h MET 73 Ca 0.00 -0.20 0.04 0.00 -2.06 0.00 0.00 59.70 57.49 2wky h MET 73 Cb 0.00 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.53 2wky h MET 73 CO 0.00 0.76 0.06 0.28 1.06 0.00 0.00 176.91 179.07 2wky h VAL 74 N 0.71 0.85 -0.72 -2.22 2.07 -1.54 -2.13 116.25 113.28 2wky h VAL 74 Ca 0.14 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.61 2wky h VAL 74 Cb 0.43 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2wky h VAL 74 CO 0.02 0.03 0.46 0.50 0.02 0.00 0.00 177.57 178.60 2wky h LYS 75 N 0.16 0.96 -0.78 1.57 1.63 -1.20 -1.29 116.57 117.63 2wky h LYS 75 Ca 0.14 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.88 2wky h LYS 75 Cb 0.15 -0.21 -0.04 0.00 -0.60 0.00 0.00 32.23 31.53 2wky h LYS 75 CO -0.19 0.65 0.51 0.93 -3.45 0.00 0.00 179.45 177.91 2wky h GLU 76 N 0.98 1.02 -0.32 1.90 4.39 -1.03 -0.07 114.58 121.45 2wky h GLU 76 Ca 0.26 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.79 2wky h GLU 76 Cb -0.08 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.33 2wky h GLU 76 CO -0.05 0.67 -0.24 -0.07 -1.16 0.00 0.00 179.01 178.16 2wky h LEU 77 N 1.05 0.77 -0.65 1.33 3.38 -0.96 0.22 115.31 120.44 2wky h LEU 77 Ca 0.29 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2wky h LEU 77 Cb -0.11 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 2wky h LEU 77 CO -0.07 1.05 0.41 0.40 0.09 0.00 0.00 178.44 180.32 2wky h ILE 78 N 0.50 1.18 -0.02 1.22 2.04 -0.95 -1.96 117.51 119.52 2wky h ILE 78 Ca 0.06 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2wky h ILE 78 Cb 0.80 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2wky h ILE 78 CO 0.06 0.18 0.00 0.47 0.00 0.00 0.00 178.15 178.87 2wky n ASP 79 N -4.60 0.25 -3.14 1.72 8.00 -0.07 -4.91 116.55 113.81 2wky n ASP 79 Ca 0.05 -1.30 -0.23 0.00 0.71 0.00 0.00 54.79 54.03 2wky n ASP 79 Cb 0.04 -0.01 0.05 0.00 -0.02 0.00 0.00 41.12 41.18 2wky n ASP 79 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2wky n HIS 80 N -0.70 -2.21 1.04 1.24 8.25 -0.71 -4.88 115.22 117.25 2wky n HIS 80 Ca 0.18 0.66 0.11 0.00 -0.26 0.00 0.00 57.72 58.42 2wky n HIS 80 Cb 0.12 -4.62 0.07 0.00 1.12 0.00 0.00 29.99 26.68 2wky n HIS 80 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2wky n ARG 81 N -4.27 0.52 -3.91 -0.41 1.74 0.69 -4.90 116.66 106.12 2wky n ARG 81 Ca -0.08 -0.40 -0.11 0.00 -0.77 0.00 0.00 57.85 56.50 2wky n ARG 81 Cb 0.60 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.44 2wky n ARG 81 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wky s ALA 82 N -2.75 -0.11 -0.05 7.54 0.00 -1.19 -4.94 121.76 120.26 2wky s ALA 82 Ca 0.15 -0.23 0.06 0.00 0.00 0.00 0.00 51.96 51.93 2wky s ALA 82 Cb 0.17 0.07 -0.24 0.00 0.00 0.00 0.00 23.12 23.12 2wky s ALA 82 CO 0.69 -0.14 0.64 -0.44 0.00 0.00 0.00 175.76 176.50 2wky h ASP 83 N 4.88 0.15 -5.12 0.00 3.32 -0.29 -3.42 116.42 115.94 2wky h ASP 83 Ca -0.30 -0.30 -0.13 0.00 0.02 0.00 0.00 57.03 56.32 2wky h ASP 83 Cb 1.20 -0.05 -0.17 0.00 0.22 0.00 0.00 39.33 40.53 2wky h ASP 83 CO 0.42 1.26 -0.61 -0.76 -1.72 0.00 0.00 179.24 177.83 2wky s LEU 84 N -6.45 2.12 -0.19 1.55 1.43 -0.88 -4.33 118.68 111.93 2wky s LEU 84 Ca -0.09 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.33 2wky s LEU 84 Cb 0.08 0.37 0.04 0.00 0.03 0.00 0.00 46.19 46.70 2wky s LEU 84 CO 0.81 -0.50 -0.11 0.00 0.23 0.00 0.00 176.35 176.78 2wky s ALA 85 N -2.85 2.03 -0.28 4.21 0.00 0.19 -0.36 121.76 124.69 2wky s ALA 85 Ca -0.03 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.76 2wky s ALA 85 Cb 0.00 -1.26 0.08 0.00 0.00 0.00 0.00 23.12 21.94 2wky s ALA 85 CO -0.06 -0.75 -0.00 0.08 0.00 0.00 0.00 175.76 175.03 2wky s VAL 86 N 1.39 1.72 0.02 0.00 1.01 -1.09 -0.65 120.40 122.81 2wky s VAL 86 Ca -0.00 -1.64 -0.11 0.00 0.00 0.00 0.00 61.98 60.22 2wky s VAL 86 Cb -0.16 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 34.16 2wky s VAL 86 CO -0.09 -0.35 0.53 0.00 0.00 0.00 0.00 175.10 175.20 2wky n ALA 87 N 4.55 -1.46 -1.06 5.51 0.00 -1.26 -4.65 120.51 122.13 2wky n ALA 87 Ca -0.06 -0.39 -0.29 0.00 0.00 0.00 0.00 53.44 52.70 2wky n ALA 87 Cb 0.43 0.13 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 2wky n ALA 87 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wky n PRO 88 N -0.38 2.90 -3.19 0.00 -0.02 -1.26 -4.73 135.00 128.32 2wky n PRO 88 Ca 0.01 -1.77 -0.42 0.00 -2.02 0.00 0.00 63.50 59.30 2wky n PRO 88 Cb 0.26 -2.56 -0.07 0.00 -0.02 0.00 0.00 33.50 31.10 2wky n PRO 88 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2wky s LEU 89 N 0.12 4.35 0.11 2.45 2.96 -1.26 -5.04 118.68 122.37 2wky s LEU 89 Ca 0.58 -0.02 -0.30 0.00 -0.22 0.00 0.00 54.13 54.17 2wky s LEU 89 Cb 0.17 -2.65 -0.06 0.00 0.50 0.00 0.00 46.19 44.14 2wky s LEU 89 CO -0.04 -0.54 1.17 -0.89 -1.32 0.00 0.00 176.35 174.72 2wky s THR 90 N 2.52 3.94 -0.46 3.68 2.01 -1.26 -2.56 115.64 123.50 2wky s THR 90 Ca 0.21 1.50 -0.29 0.00 0.31 0.00 0.00 61.69 63.41 2wky s THR 90 Cb -0.15 -3.96 0.02 0.00 0.01 0.00 0.00 72.50 68.42 2wky s THR 90 CO 0.14 0.17 1.34 -0.63 -0.69 0.00 0.00 174.62 174.96 2wky s ILE 91 N 0.52 3.96 0.20 1.82 1.01 -0.28 -4.92 121.20 123.51 2wky s ILE 91 Ca 0.55 0.95 0.07 0.00 0.00 0.00 0.00 60.65 62.22 2wky s ILE 91 Cb -0.30 -4.36 -0.05 0.00 0.01 0.00 0.00 42.46 37.77 2wky s ILE 91 CO 0.32 -0.91 -0.14 0.42 0.00 0.00 0.00 174.94 174.63 2wky s THR 92 N 5.30 1.67 0.14 2.92 -4.23 -1.26 -4.61 115.64 115.57 2wky s THR 92 Ca 0.56 -2.19 -0.26 0.00 -1.18 0.00 0.00 61.69 58.62 2wky s THR 92 Cb -0.11 -2.04 -0.02 0.00 1.34 0.00 0.00 72.50 71.67 2wky s THR 92 CO 0.31 -0.60 1.62 0.22 -0.54 0.00 0.00 174.62 175.62 2wky h TYR 93 N 2.57 -0.83 -0.60 3.99 3.20 -1.98 0.13 116.97 123.44 2wky h TYR 93 Ca -0.38 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.46 2wky h TYR 93 Cb 1.22 0.38 -0.03 0.00 1.54 0.00 0.00 36.73 39.85 2wky h TYR 93 CO 0.71 -0.38 0.09 -0.39 -1.64 0.00 0.00 178.16 176.55 2wky h VAL 94 N -0.39 1.25 -0.20 1.81 -1.51 -2.00 -2.98 116.25 112.23 2wky h VAL 94 Ca 0.09 -0.98 -0.19 0.00 -1.23 0.00 0.00 66.70 64.39 2wky h VAL 94 Cb 0.53 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 2wky h VAL 94 CO -0.33 0.36 -0.65 0.03 -1.23 0.00 0.00 177.57 175.75 2wky h ARG 95 N 0.92 0.74 0.00 5.19 3.08 -1.89 -3.16 114.38 119.26 2wky h ARG 95 Ca 0.19 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.71 2wky h ARG 95 Cb 0.41 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.54 2wky h ARG 95 CO 0.01 1.15 0.00 1.49 -1.07 0.00 0.00 179.97 181.55 2wky h GLU 96 N 0.54 0.00 0.00 0.04 4.57 -0.61 -0.78 114.58 118.34 2wky h GLU 96 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2wky h GLU 96 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2wky h GLU 96 CO 0.13 0.00 -0.11 0.87 -1.18 0.00 0.00 179.01 178.72 2wky h LYS 97 N 0.00 0.00 0.00 1.92 1.57 -1.49 -3.35 116.57 115.22 2wky h LYS 97 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wky h LYS 97 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2wky h LYS 97 CO 0.00 0.00 -0.77 1.33 -0.57 0.00 0.00 179.45 179.44 2wky n VAL 98 N -2.94 0.00 -4.22 0.50 0.24 -0.37 -5.04 118.33 106.50 2wky n VAL 98 Ca 0.04 -0.25 -0.16 0.00 -2.04 0.00 0.00 64.34 61.93 2wky n VAL 98 Cb 0.52 0.79 -0.08 0.00 -1.47 0.00 0.00 33.84 33.60 2wky n VAL 98 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2wky s ILE 99 N -2.19 0.00 -0.33 1.34 -4.36 -0.78 -4.46 121.20 110.42 2wky s ILE 99 Ca 0.02 -1.94 -0.04 0.00 -0.26 0.00 0.00 60.65 58.43 2wky s ILE 99 Cb 0.08 -2.50 0.06 0.00 1.25 0.00 0.00 42.46 41.34 2wky s ILE 99 CO 0.43 0.00 0.07 -1.81 0.24 0.00 0.00 174.94 173.87 2wky s ASP 100 N -3.27 5.11 0.11 4.36 1.01 0.78 -4.54 116.67 120.23 2wky s ASP 100 Ca 0.38 -1.35 -0.25 0.00 0.71 0.00 0.00 52.55 52.05 2wky s ASP 100 Cb 0.04 -1.79 -0.07 0.00 1.01 0.00 0.00 42.92 42.11 2wky s ASP 100 CO 0.21 -0.33 0.76 -0.36 0.21 0.00 0.00 175.17 175.65 2wky s PHE 101 N 1.29 3.83 1.21 4.23 0.40 -1.26 -1.34 117.98 126.34 2wky s PHE 101 Ca -0.02 1.54 -0.20 0.00 -0.60 0.00 0.00 56.93 57.65 2wky s PHE 101 Cb -0.20 -2.77 0.29 0.00 0.51 0.00 0.00 43.02 40.85 2wky s PHE 101 CO -0.00 0.42 1.14 -1.54 0.70 0.00 0.00 175.22 175.94 2wky s SER 102 N -0.67 0.87 0.22 1.36 1.04 0.31 -4.95 113.70 111.88 2wky s SER 102 Ca 0.36 0.49 -0.29 0.00 0.48 0.00 0.00 55.95 56.99 2wky s SER 102 Cb -0.22 -0.62 -0.09 0.00 0.10 0.00 0.00 66.02 65.19 2wky s SER 102 CO 0.24 -4.14 0.91 -0.54 0.98 0.00 0.00 173.24 170.69 2wky s LYS 103 N -5.55 4.80 0.04 4.02 1.02 -1.26 -4.47 119.74 118.35 2wky s LYS 103 Ca 0.72 1.43 -0.38 0.00 0.02 0.00 0.00 55.97 57.76 2wky s LYS 103 Cb -0.07 -3.28 -0.18 0.00 -0.52 0.00 0.00 37.83 33.78 2wky s LYS 103 CO 0.55 0.53 1.21 -0.35 -0.92 0.00 0.00 175.35 176.37 2wky n PRO 104 N 1.52 0.57 -0.14 -1.68 -0.04 -1.26 -4.70 135.00 129.29 2wky n PRO 104 Ca -0.03 0.21 0.10 0.00 -0.04 0.00 0.00 63.50 63.74 2wky n PRO 104 Cb 0.47 -1.78 0.17 0.00 -0.04 0.00 0.00 33.50 32.32 2wky n PRO 104 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2wky n PHE 105 N 2.02 0.36 -3.63 0.54 1.16 -0.24 -4.89 117.46 112.79 2wky n PHE 105 Ca 0.19 -0.21 -0.04 0.00 -1.87 0.00 0.00 57.45 55.52 2wky n PHE 105 Cb 0.13 -0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.94 2wky n PHE 105 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 2wky s MET 106 N -1.42 0.54 -0.03 3.97 0.00 -1.25 -5.00 119.30 116.10 2wky s MET 106 Ca 0.32 0.99 -0.01 0.00 0.00 0.00 0.00 55.69 56.99 2wky s MET 106 Cb 0.19 0.20 -0.04 0.00 0.00 0.00 0.00 34.83 35.18 2wky s MET 106 CO 0.27 -0.12 0.06 0.99 0.00 0.00 0.00 175.02 176.22 2wky s THR 107 N 1.68 4.63 0.00 10.11 2.01 -1.26 -1.17 115.64 131.64 2wky s THR 107 Ca -0.09 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.58 2wky s THR 107 Cb -0.05 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.40 2wky s THR 107 CO -0.18 0.44 0.00 0.00 -0.69 0.00 0.00 174.62 174.19 2wky n LEU 108 N 1.52 0.00 -3.63 4.42 -0.00 0.73 -4.95 117.00 115.09 2wky n LEU 108 Ca -0.15 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 55.81 2wky n LEU 108 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.94 2wky n LEU 108 CO 0.34 0.00 0.75 -0.83 -0.00 0.00 0.00 177.39 177.65 2wky s GLY 109 N -0.75 -0.35 0.14 1.47 0.00 -1.26 -0.98 107.32 105.59 2wky s GLY 109 Ca 0.00 0.62 -0.30 0.00 0.00 0.00 0.00 44.72 45.04 2wky s GLY 109 CO 0.00 0.18 1.11 -0.42 0.00 0.00 0.00 173.10 173.97 2wky s ILE 110 N -3.10 3.97 0.00 0.90 1.01 -1.26 0.58 121.20 123.30 2wky s ILE 110 Ca 0.09 1.61 0.00 0.00 0.00 0.00 0.00 60.65 62.35 2wky s ILE 110 Cb -0.01 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.44 2wky s ILE 110 CO -0.03 0.23 0.00 -0.24 0.00 0.00 0.00 174.94 174.90 2wky n SER 111 N 2.84 0.00 -4.26 3.58 2.88 -0.68 -0.96 113.62 117.01 2wky n SER 111 Ca 0.04 -0.72 -0.32 0.00 -1.33 0.00 0.00 58.87 56.54 2wky n SER 111 Cb 0.47 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.76 2wky n SER 111 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2wky s ILE 112 N -1.90 2.30 -0.21 2.46 1.01 -1.24 -1.23 121.20 122.40 2wky s ILE 112 Ca 0.00 -0.94 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 2wky s ILE 112 Cb 0.00 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 2wky s ILE 112 CO 0.00 0.55 0.09 -0.22 0.00 0.00 0.00 174.94 175.36 2wky s LEU 113 N 0.29 3.83 0.37 2.97 2.96 0.40 -0.58 118.68 128.93 2wky s LEU 113 Ca -0.16 0.05 -0.15 0.00 -0.22 0.00 0.00 54.13 53.65 2wky s LEU 113 Cb -0.17 -1.99 0.05 0.00 0.50 0.00 0.00 46.19 44.58 2wky s LEU 113 CO 0.08 0.12 0.76 -0.47 -1.32 0.00 0.00 176.35 175.51 2wky s TYR 114 N 0.72 0.18 0.39 5.38 5.04 -0.80 -0.75 117.35 127.51 2wky s TYR 114 Ca 0.05 -0.81 -0.08 0.00 -2.44 0.00 0.00 57.07 53.79 2wky s TYR 114 Cb -0.13 0.75 -0.05 0.00 0.35 0.00 0.00 41.96 42.88 2wky s TYR 114 CO 0.02 -1.51 0.72 -0.98 -1.34 0.00 0.00 175.55 172.45 2wky s ARG 115 N -2.49 3.69 0.83 4.97 1.70 -1.26 -0.37 118.95 126.01 2wky s ARG 115 Ca 0.16 0.28 -0.12 0.00 -0.47 0.00 0.00 55.73 55.59 2wky s ARG 115 Cb -0.05 -2.45 0.09 0.00 -0.57 0.00 0.00 34.95 31.97 2wky s ARG 115 CO 0.12 -0.01 1.10 0.15 -1.08 0.00 0.00 175.30 175.58 2wky s LYS 116 N -3.99 1.81 -0.48 3.89 1.02 -0.58 -4.38 119.74 117.04 2wky s LYS 116 Ca 0.48 0.64 0.00 0.00 0.02 0.00 0.00 55.97 57.11 2wky s LYS 116 Cb -0.10 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 2wky s LYS 116 CO 0.34 -1.81 0.00 0.41 -0.92 0.00 0.00 175.35 173.37 2wky n GLY 117 N -1.91 0.47 3.65 -3.33 0.00 -1.26 -5.03 105.19 97.78 2wky n GLY 117 Ca 0.07 -0.76 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 2wky n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wky s THR 118 N -2.22 2.21 -1.31 2.61 -4.23 -1.26 -5.03 115.64 106.41 2wky s THR 118 Ca 0.00 -1.94 0.28 0.00 -1.18 0.00 0.00 61.69 58.86 2wky s THR 118 Cb 0.00 -2.93 0.32 0.00 1.34 0.00 0.00 72.50 71.23 2wky s THR 118 CO 0.00 -0.05 1.83 -0.81 -0.54 0.00 0.00 174.62 175.04 2wky n PRO 119 N -1.02 0.32 -1.89 3.99 -0.04 -1.26 -4.86 135.00 130.24 2wky n PRO 119 Ca -0.04 -0.09 -0.42 0.00 -0.04 0.00 0.00 63.50 62.91 2wky n PRO 119 Cb 0.65 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 2wky n PRO 119 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2wky s ILE 120 N -2.74 3.07 0.00 0.52 -1.09 -1.26 -4.87 121.20 114.82 2wky s ILE 120 Ca 0.21 0.43 0.00 0.00 -2.23 0.00 0.00 60.65 59.06 2wky s ILE 120 Cb 0.19 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.80 2wky s ILE 120 CO 0.53 -0.01 0.01 -0.67 -1.23 0.00 0.00 174.94 173.57 2wky n ASP 121 N 6.03 0.02 -3.22 3.58 2.03 -1.26 -4.89 116.55 118.84 2wky n ASP 121 Ca 0.17 -0.42 -0.07 0.00 0.52 0.00 0.00 54.79 54.98 2wky n ASP 121 Cb 0.41 0.80 0.01 0.00 -0.72 0.00 0.00 41.12 41.62 2wky n ASP 121 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2wky s SER 122 N -0.80 -0.05 0.26 1.67 1.04 -1.26 -3.18 113.70 111.38 2wky s SER 122 Ca 0.00 -0.93 -0.01 0.00 0.48 0.00 0.00 55.95 55.49 2wky s SER 122 Cb 0.00 0.75 0.33 0.00 0.10 0.00 0.00 66.02 67.20 2wky s SER 122 CO 0.00 -1.46 1.73 0.00 0.98 0.00 0.00 173.24 174.49 2wky h ALA 123 N 2.00 1.07 -0.73 5.32 0.00 -1.97 -2.63 119.26 122.31 2wky h ALA 123 Ca -0.29 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.33 2wky h ALA 123 Cb 1.24 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2wky h ALA 123 CO 0.36 0.57 0.48 0.22 0.00 0.00 0.00 179.25 180.88 2wky h ASP 124 N 0.65 0.84 -0.43 0.00 3.58 -1.96 -0.33 116.42 118.78 2wky h ASP 124 Ca 0.11 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 2wky h ASP 124 Cb 0.55 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 2wky h ASP 124 CO 0.03 0.62 0.20 0.44 -2.88 0.00 0.00 179.24 177.65 2wky h ASP 125 N 0.99 0.60 -0.00 2.28 3.32 -1.87 -2.38 116.42 119.37 2wky h ASP 125 Ca 0.27 -0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.11 2wky h ASP 125 Cb -0.11 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.30 2wky h ASP 125 CO -0.06 0.54 -0.56 -0.07 -1.72 0.00 0.00 179.24 177.38 2wky h LEU 126 N 0.67 0.50 -1.46 1.55 3.38 -1.22 -3.28 115.31 115.44 2wky h LEU 126 Ca 0.16 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.37 2wky h LEU 126 Cb 0.12 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2wky h LEU 126 CO -0.02 1.19 0.32 0.00 0.09 0.00 0.00 178.44 180.03 2wky h ALA 127 N 0.31 1.60 0.00 1.53 0.00 -0.91 -2.71 119.26 119.08 2wky h ALA 127 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wky h ALA 127 Cb 1.27 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2wky h ALA 127 CO 0.11 0.36 -0.27 1.57 0.00 0.00 0.00 179.25 181.02 2wky h LYS 128 N 0.70 0.00 -6.38 0.00 2.10 -1.55 -3.46 116.57 107.98 2wky h LYS 128 Ca 0.19 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.31 2wky h LYS 128 Cb -0.05 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.28 2wky h LYS 128 CO -0.04 0.00 -0.16 1.14 -2.00 0.00 0.00 179.45 178.39 2wky s GLN 129 N -3.15 2.24 0.00 0.07 1.03 -1.02 -5.07 119.66 113.76 2wky s GLN 129 Ca 0.08 -1.83 0.00 0.00 0.04 0.00 0.00 55.36 53.65 2wky s GLN 129 Cb 0.12 -2.43 0.00 0.00 0.03 0.00 0.00 33.01 30.73 2wky s GLN 129 CO 0.66 -0.83 0.00 -2.37 -2.54 0.00 0.00 175.29 170.21 2wky n THR 130 N -2.10 0.00 -0.10 3.63 5.66 -1.26 -4.90 114.28 115.21 2wky n THR 130 Ca 0.10 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.98 2wky n THR 130 Cb 0.63 0.37 -0.04 0.00 -1.55 0.00 0.00 70.33 69.74 2wky n THR 130 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2wky h LYS 131 N 0.00 0.51 -6.44 1.09 1.57 -1.97 -3.42 116.57 107.91 2wky h LYS 131 Ca 0.00 -0.18 -0.54 0.00 -1.87 0.00 0.00 60.65 58.06 2wky h LYS 131 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2wky h LYS 131 CO 0.00 0.70 0.40 0.42 -0.57 0.00 0.00 179.45 180.39 2wky s ILE 132 N -4.88 4.70 0.25 1.86 1.01 -1.26 -5.04 121.20 117.84 2wky s ILE 132 Ca -0.13 1.97 -0.13 0.00 0.00 0.00 0.00 60.65 62.36 2wky s ILE 132 Cb 0.08 -4.26 -0.08 0.00 0.01 0.00 0.00 42.46 38.21 2wky s ILE 132 CO 0.76 0.17 0.62 -1.61 0.00 0.00 0.00 174.94 174.89 2wky s GLU 133 N 0.88 3.92 -0.08 2.79 2.02 -0.98 -4.98 118.70 122.26 2wky s GLU 133 Ca 0.52 0.46 -0.20 0.00 0.02 0.00 0.00 54.97 55.78 2wky s GLU 133 Cb -0.23 -2.63 0.04 0.00 0.10 0.00 0.00 34.13 31.42 2wky s GLU 133 CO 0.28 0.29 0.47 1.52 0.02 0.00 0.00 175.26 177.84 2wky s TYR 134 N -1.81 -0.43 0.00 1.61 -0.85 -1.26 -0.76 117.35 113.86 2wky s TYR 134 Ca 0.48 0.85 0.00 0.00 -0.52 0.00 0.00 57.07 57.88 2wky s TYR 134 Cb -0.12 0.21 0.00 0.00 0.38 0.00 0.00 41.96 42.43 2wky s TYR 134 CO 0.20 -0.40 0.00 0.41 -1.52 0.00 0.00 175.55 174.24 2wky n GLY 135 N 1.72 2.72 3.69 5.49 0.00 -0.95 -4.63 105.19 113.23 2wky n GLY 135 Ca -0.18 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.08 2wky n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wky s ALA 136 N -1.00 -0.67 0.05 4.61 0.00 -1.26 -1.06 121.76 122.44 2wky s ALA 136 Ca 0.00 -0.62 -0.31 0.00 0.00 0.00 0.00 51.96 51.03 2wky s ALA 136 Cb 0.00 0.97 -0.07 0.00 0.00 0.00 0.00 23.12 24.02 2wky s ALA 136 CO 0.00 -0.93 1.47 0.08 0.00 0.00 0.00 175.76 176.38 2wky s VAL 137 N -3.97 3.41 0.30 0.00 1.01 -1.26 -2.27 120.40 117.62 2wky s VAL 137 Ca 0.17 0.88 -0.29 0.00 0.00 0.00 0.00 61.98 62.74 2wky s VAL 137 Cb -0.03 -3.57 -0.13 0.00 0.00 0.00 0.00 36.38 32.66 2wky s VAL 137 CO 0.08 0.02 1.38 -1.14 0.00 0.00 0.00 175.10 175.43 2wky n ARG 138 N 5.07 2.19 -0.96 2.72 0.63 -0.06 -2.88 116.66 123.38 2wky n ARG 138 Ca 0.13 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.84 2wky n ARG 138 Cb 0.42 -2.42 0.00 0.00 0.45 0.00 0.00 32.46 30.92 2wky n ARG 138 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2wky n ASP 139 N 1.46 -4.93 -4.93 6.15 8.00 -1.26 -4.99 116.55 116.04 2wky n ASP 139 Ca 0.08 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.32 2wky n ASP 139 Cb 0.35 -2.91 0.06 0.00 -0.02 0.00 0.00 41.12 38.60 2wky n ASP 139 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2wky s GLY 140 N -2.00 1.70 0.56 0.44 0.00 -1.14 -4.76 107.32 102.12 2wky s GLY 140 Ca 0.00 -0.97 0.26 0.00 0.00 0.00 0.00 44.72 44.01 2wky s GLY 140 CO 0.00 -0.58 2.20 1.48 0.00 0.00 0.00 173.10 176.19 2wky h SER 141 N -0.51 0.00 0.28 1.64 4.64 -1.93 -1.94 113.55 115.72 2wky h SER 141 Ca -0.44 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 2wky h SER 141 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 2wky h SER 141 CO 0.59 0.03 -0.14 0.74 -0.87 0.00 0.00 176.83 177.19 2wky h THR 142 N 0.00 0.74 -0.99 2.95 2.02 -1.92 -1.32 112.91 114.38 2wky h THR 142 Ca -0.00 -0.61 0.07 0.00 0.77 0.00 0.00 66.41 66.64 2wky h THR 142 Cb 0.07 1.05 -0.07 0.00 -1.74 0.00 0.00 68.15 67.46 2wky h THR 142 CO 0.00 0.12 0.64 -0.03 0.37 0.00 0.00 175.52 176.63 2wky h MET 143 N -0.72 1.12 -0.77 6.66 -1.53 -1.65 -1.44 114.93 116.59 2wky h MET 143 Ca -0.04 -0.07 -0.03 0.00 -3.44 0.00 0.00 59.70 56.13 2wky h MET 143 Cb 0.49 -0.25 -0.04 0.00 -0.55 0.00 0.00 31.60 31.25 2wky h MET 143 CO 0.06 0.74 0.37 1.15 0.14 0.00 0.00 176.91 179.37 2wky h THR 144 N 1.15 1.24 -0.20 -0.77 2.02 -1.29 0.31 112.91 115.38 2wky h THR 144 Ca 0.43 -0.68 0.04 0.00 0.77 0.00 0.00 66.41 66.97 2wky h THR 144 Cb 0.19 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 66.82 2wky h THR 144 CO -0.18 0.29 -0.05 0.15 0.37 0.00 0.00 175.52 176.10 2wky h PHE 145 N 1.10 -0.12 -0.61 3.16 3.57 -0.13 0.26 116.94 124.17 2wky h PHE 145 Ca 0.27 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.69 2wky h PHE 145 Cb 0.11 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2wky h PHE 145 CO 0.01 -0.09 0.02 0.74 -2.23 0.00 0.00 178.31 176.76 2wky h PHE 146 N -0.01 1.14 -0.61 0.41 0.04 -1.21 -0.24 116.94 116.46 2wky h PHE 146 Ca 0.10 -0.19 -0.03 0.00 2.80 0.00 0.00 57.97 60.65 2wky h PHE 146 Cb 0.15 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 37.97 2wky h PHE 146 CO -0.22 1.00 0.26 -0.22 -0.60 0.00 0.00 178.31 178.53 2wky h LYS 147 N 0.97 0.87 -0.02 1.51 3.64 -0.30 -3.01 116.57 120.23 2wky h LYS 147 Ca 0.18 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2wky h LYS 147 Cb 0.53 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2wky h LYS 147 CO 0.03 0.70 -0.32 1.63 -2.27 0.00 0.00 179.45 179.22 2wky n LYS 148 N -4.33 1.57 -2.13 1.90 5.02 0.02 -4.98 118.16 115.22 2wky n LYS 148 Ca 0.05 -1.29 -0.38 0.00 -2.02 0.00 0.00 58.31 54.68 2wky n LYS 148 Cb 0.15 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 2wky n LYS 148 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2wky s SER 149 N -2.32 5.97 0.00 4.39 0.15 -0.11 -4.92 113.70 116.85 2wky s SER 149 Ca 0.22 2.44 0.06 0.00 0.70 0.00 0.00 55.95 59.36 2wky s SER 149 Cb 0.19 -2.61 0.14 0.00 -1.71 0.00 0.00 66.02 62.03 2wky s SER 149 CO 0.48 -1.06 1.07 0.29 1.20 0.00 0.00 173.24 175.22 2wky n LYS 150 N -0.57 2.47 -2.85 5.44 4.76 -1.26 -4.56 118.16 121.59 2wky n LYS 150 Ca 0.08 -1.65 -0.41 0.00 -2.87 0.00 0.00 58.31 53.46 2wky n LYS 150 Cb 0.47 -1.14 -0.04 0.00 -1.84 0.00 0.00 35.03 32.49 2wky n LYS 150 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2wky s ILE 151 N -0.92 4.94 0.14 -0.18 1.01 -1.26 -4.91 121.20 120.02 2wky s ILE 151 Ca 0.11 1.79 -0.27 0.00 0.00 0.00 0.00 60.65 62.29 2wky s ILE 151 Cb 0.06 -4.20 -0.06 0.00 0.01 0.00 0.00 42.46 38.27 2wky s ILE 151 CO 0.08 0.19 1.46 -0.24 0.00 0.00 0.00 174.94 176.43 2wky n SER 152 N 3.90 -0.91 -0.21 3.58 2.88 -1.26 0.28 113.62 121.88 2wky n SER 152 Ca 0.03 1.66 -0.02 0.00 -1.33 0.00 0.00 58.87 59.21 2wky n SER 152 Cb 0.51 -0.26 0.09 0.00 -0.75 0.00 0.00 64.21 63.79 2wky n SER 152 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2wky h THR 153 N 0.00 0.94 -0.09 2.46 2.02 -2.00 -1.33 112.91 114.91 2wky h THR 153 Ca 0.14 -0.20 -0.18 0.00 0.77 0.00 0.00 66.41 66.94 2wky h THR 153 Cb 0.35 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 2wky h THR 153 CO -0.81 0.11 -0.69 1.88 0.37 0.00 0.00 175.52 176.38 2wky h TYR 154 N 0.59 0.54 -0.57 3.16 0.05 -1.73 -1.76 116.97 117.25 2wky h TYR 154 Ca 0.28 -0.23 -0.00 0.00 0.05 0.00 0.00 58.73 58.83 2wky h TYR 154 Cb 0.20 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 2wky h TYR 154 CO -0.10 0.97 0.34 0.93 -1.05 0.00 0.00 178.16 179.25 2wky h GLU 155 N 0.29 0.77 -0.55 4.88 5.08 0.25 -0.02 114.58 125.28 2wky h GLU 155 Ca -0.02 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 2wky h GLU 155 Cb 1.25 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 2wky h GLU 155 CO 0.12 0.56 0.01 -0.22 -1.00 0.00 0.00 179.01 178.48 2wky h LYS 156 N 0.77 0.96 -0.44 2.33 3.64 -1.16 -0.91 116.57 121.76 2wky h LYS 156 Ca 0.20 -0.30 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 2wky h LYS 156 Cb -0.01 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2wky h LYS 156 CO -0.04 0.96 0.04 0.52 -2.27 0.00 0.00 179.45 178.67 2wky h MET 157 N 0.84 0.68 -0.41 1.90 2.86 -0.94 -1.96 114.93 117.89 2wky h MET 157 Ca 0.16 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 2wky h MET 157 Cb 0.52 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 2wky h MET 157 CO 0.03 0.67 -0.08 2.35 1.06 0.00 0.00 176.91 180.93 2wky h TRP 158 N 0.65 0.88 -0.92 -0.22 -0.00 -0.70 -0.07 115.95 115.57 2wky h TRP 158 Ca 0.14 -0.18 0.13 0.00 -0.00 0.00 0.00 58.89 58.98 2wky h TRP 158 Cb 0.34 -0.22 -0.07 0.00 -0.00 0.00 0.00 29.16 29.21 2wky h TRP 158 CO 0.02 0.90 0.59 0.00 -0.00 0.00 0.00 178.44 179.94 2wky h ALA 159 N 0.86 1.74 -0.01 2.65 0.00 -0.48 0.66 119.26 124.67 2wky h ALA 159 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2wky h ALA 159 Cb 0.61 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2wky h ALA 159 CO 0.04 0.02 -0.04 0.35 0.00 0.00 0.00 179.25 179.62 2wky h PHE 160 N 0.78 0.07 -0.62 0.00 3.57 -0.94 -3.12 116.94 116.69 2wky h PHE 160 Ca 0.46 -0.03 0.08 0.00 3.53 0.00 0.00 57.97 62.01 2wky h PHE 160 Cb 0.64 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.31 2wky h PHE 160 CO -0.00 0.66 0.29 0.52 -2.23 0.00 0.00 178.31 177.54 2wky h MET 161 N -0.54 0.51 -0.02 1.11 2.86 -0.15 -1.45 114.93 117.24 2wky h MET 161 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2wky h MET 161 Cb 0.66 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2wky h MET 161 CO 0.01 0.34 0.00 -1.13 1.06 0.00 0.00 176.91 177.19 2wky n SER 162 N -4.90 0.17 -4.81 1.22 3.41 0.14 -4.13 113.62 104.72 2wky n SER 162 Ca 0.08 -1.60 -0.31 0.00 -0.26 0.00 0.00 58.87 56.78 2wky n SER 162 Cb 0.23 -0.01 0.07 0.00 -0.26 0.00 0.00 64.21 64.23 2wky n SER 162 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2wky s SER 163 N -1.42 5.04 -1.52 4.04 0.01 -0.55 -3.64 113.70 115.66 2wky s SER 163 Ca 0.21 1.60 -0.01 0.00 1.31 0.00 0.00 55.95 59.06 2wky s SER 163 Cb 0.10 -2.42 0.01 0.00 0.21 0.00 0.00 66.02 63.92 2wky s SER 163 CO 0.16 -1.66 0.14 0.54 0.41 0.00 0.00 173.24 172.83 2wky n ARG 164 N -3.27 -1.63 -3.32 12.44 1.74 -1.26 -0.58 116.66 120.79 2wky n ARG 164 Ca 0.08 0.18 -0.23 0.00 -0.77 0.00 0.00 57.85 57.11 2wky n ARG 164 Cb 0.54 -3.89 0.05 0.00 -1.02 0.00 0.00 32.46 28.14 2wky n ARG 164 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2wky n GLN 165 N -4.52 -6.27 -2.70 5.56 6.02 -1.26 -2.51 117.38 111.70 2wky n GLN 165 Ca -0.31 0.86 -0.20 0.00 -0.01 0.00 0.00 57.00 57.34 2wky n GLN 165 Cb 0.69 -5.81 0.02 0.00 1.02 0.00 0.00 30.24 26.16 2wky n GLN 165 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2wky n GLN 166 N -4.49 -3.25 0.32 -1.09 6.02 0.25 -4.87 117.38 110.27 2wky n GLN 166 Ca -0.05 0.88 0.20 0.00 -0.01 0.00 0.00 57.00 58.02 2wky n GLN 166 Cb 0.59 -5.53 1.10 0.00 1.02 0.00 0.00 30.24 27.42 2wky n GLN 166 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2wky h SER 167 N -0.74 0.00 0.60 1.08 4.64 -1.44 -1.18 113.55 116.52 2wky h SER 167 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2wky h SER 167 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 2wky h SER 167 CO 0.53 0.01 -0.06 0.00 -0.87 0.00 0.00 176.83 176.44 2wky n ALA 168 N -2.14 2.60 -2.63 5.18 0.00 -1.26 -4.85 120.51 117.40 2wky n ALA 168 Ca -0.03 -0.18 -0.28 0.00 0.00 0.00 0.00 53.44 52.95 2wky n ALA 168 Cb 0.10 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.10 2wky n ALA 168 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wky s LEU 169 N -2.66 4.13 0.26 0.00 1.43 -0.45 -3.68 118.68 117.71 2wky s LEU 169 Ca 0.24 0.57 0.11 0.00 -1.03 0.00 0.00 54.13 54.02 2wky s LEU 169 Cb 0.20 -3.37 -0.05 0.00 0.03 0.00 0.00 46.19 43.00 2wky s LEU 169 CO 0.50 -0.14 -0.13 0.68 0.23 0.00 0.00 176.35 177.49 2wky s VAL 170 N -2.00 2.86 0.21 -1.59 -7.23 -0.96 -4.93 120.40 106.74 2wky s VAL 170 Ca 0.41 -2.14 0.03 0.00 -1.81 0.00 0.00 61.98 58.47 2wky s VAL 170 Cb -0.11 -2.49 -0.08 0.00 0.56 0.00 0.00 36.38 34.26 2wky s VAL 170 CO 0.30 -0.34 1.49 0.11 -0.31 0.00 0.00 175.10 176.35 2wky h LYS 171 N 2.29 0.27 -3.36 4.82 1.57 -1.94 -0.12 116.57 120.10 2wky h LYS 171 Ca -0.43 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.12 2wky h LYS 171 Cb 1.25 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.54 2wky h LYS 171 CO 0.58 0.85 0.06 0.54 -0.57 0.00 0.00 179.45 180.92 2wky s ASN 172 N -6.92 -0.06 0.17 0.86 2.20 -1.26 -4.55 114.94 105.38 2wky s ASN 172 Ca -0.04 -0.89 -0.14 0.00 -0.94 0.00 0.00 52.86 50.85 2wky s ASN 172 Cb 0.11 0.68 0.12 0.00 -2.00 0.00 0.00 41.25 40.17 2wky s ASN 172 CO 0.81 -1.31 1.77 0.77 -2.94 0.00 0.00 177.10 176.20 2wky h SER 173 N 2.11 0.25 -0.55 3.54 4.64 -1.99 -1.77 113.55 119.78 2wky h SER 173 Ca -0.24 0.04 0.07 0.00 -0.47 0.00 0.00 61.79 61.18 2wky h SER 173 Cb 1.25 -0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.28 2wky h SER 173 CO 0.32 0.18 0.23 0.44 -0.87 0.00 0.00 176.83 177.13 2wky h ASP 174 N 0.40 0.27 -0.69 4.97 3.32 -1.99 -0.24 116.42 122.45 2wky h ASP 174 Ca 0.21 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 2wky h ASP 174 Cb 0.16 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2wky h ASP 174 CO -0.18 0.18 0.39 -0.08 -1.72 0.00 0.00 179.24 177.84 2wky h GLU 175 N 0.44 0.96 -0.36 3.56 4.81 -1.86 -1.85 114.58 120.27 2wky h GLU 175 Ca 0.26 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2wky h GLU 175 Cb 0.26 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2wky h GLU 175 CO -0.24 0.71 0.21 0.78 -0.73 0.00 0.00 179.01 179.74 2wky h GLY 176 N 0.95 0.49 0.99 1.92 0.00 -0.43 -1.23 103.07 105.76 2wky h GLY 176 Ca 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2wky h GLY 176 CO -0.04 0.15 0.30 -2.22 0.00 0.00 0.00 176.54 174.73 2wky h ILE 177 N 0.43 1.16 -0.48 2.60 2.04 -0.78 -0.63 117.51 121.86 2wky h ILE 177 Ca 0.14 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 2wky h ILE 177 Cb -0.01 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 2wky h ILE 177 CO -0.06 0.17 0.07 1.56 0.00 0.00 0.00 178.15 179.88 2wky h GLN 178 N 0.69 0.75 -0.43 2.37 1.08 -1.11 -0.71 115.11 117.75 2wky h GLN 178 Ca 0.18 -0.17 -0.10 0.00 -1.45 0.00 0.00 58.65 57.12 2wky h GLN 178 Cb 0.01 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 2wky h GLN 178 CO -0.03 0.72 -0.13 -0.09 -0.95 0.00 0.00 178.83 178.34 2wky h ARG 179 N 0.72 0.78 -0.48 1.46 2.43 -0.74 -1.03 114.38 117.52 2wky h ARG 179 Ca 0.15 -0.27 -0.12 0.00 -0.81 0.00 0.00 59.98 58.93 2wky h ARG 179 Cb 0.35 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2wky h ARG 179 CO 0.01 0.88 -0.16 0.28 -1.51 0.00 0.00 179.97 179.47 2wky h VAL 180 N 0.70 1.27 -0.28 0.20 2.07 -0.53 -1.28 116.25 118.40 2wky h VAL 180 Ca 0.11 -1.31 -0.10 0.00 0.82 0.00 0.00 66.70 66.22 2wky h VAL 180 Cb 0.62 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 2wky h VAL 180 CO 0.04 0.45 -0.26 -0.07 0.02 0.00 0.00 177.57 177.75 2wky h LEU 181 N 0.81 0.55 0.10 2.57 3.38 -0.88 -3.36 115.31 118.48 2wky h LEU 181 Ca 0.12 -0.19 -0.37 0.00 0.09 0.00 0.00 57.88 57.52 2wky h LEU 181 Cb 0.72 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2wky h LEU 181 CO 0.06 0.80 -2.10 0.41 0.09 0.00 0.00 178.44 177.70 2wky n THR 182 N -4.11 1.72 -4.39 0.22 -1.04 -0.41 -5.02 114.28 101.24 2wky n THR 182 Ca -0.00 -0.63 -0.25 0.00 -2.04 0.00 0.00 64.05 61.13 2wky n THR 182 Cb 0.42 -1.67 -0.04 0.00 -1.82 0.00 0.00 70.33 67.22 2wky n THR 182 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2wky n THR 183 N -3.45 0.00 -2.77 12.58 -2.24 -0.49 -5.03 114.28 112.88 2wky n THR 183 Ca -0.35 -1.91 -0.44 0.00 -2.27 0.00 0.00 64.05 59.08 2wky n THR 183 Cb 1.03 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 2wky n THR 183 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2wky n ASP 184 N -1.43 5.12 -4.00 3.42 2.03 -1.26 -4.64 116.55 115.79 2wky n ASP 184 Ca -0.13 -2.98 -0.15 0.00 0.52 0.00 0.00 54.79 52.05 2wky n ASP 184 Cb 0.52 -1.59 -0.13 0.00 -0.72 0.00 0.00 41.12 39.20 2wky n ASP 184 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2wky s TYR 185 N 1.88 0.56 -0.05 -0.67 5.04 -1.26 -2.31 117.35 120.53 2wky s TYR 185 Ca 0.44 -0.27 0.06 0.00 -2.44 0.00 0.00 57.07 54.86 2wky s TYR 185 Cb 0.01 -0.35 -0.01 0.00 0.35 0.00 0.00 41.96 41.95 2wky s TYR 185 CO 0.01 -0.04 -0.23 0.00 -1.34 0.00 0.00 175.55 173.95 2wky s ALA 186 N -0.66 2.26 -0.28 3.97 0.00 0.06 -4.43 121.76 122.68 2wky s ALA 186 Ca -0.03 -1.04 -0.04 0.00 0.00 0.00 0.00 51.96 50.84 2wky s ALA 186 Cb -0.05 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.36 2wky s ALA 186 CO 0.00 0.45 0.02 -1.17 0.00 0.00 0.00 175.76 175.06 2wky s LEU 187 N -0.29 3.60 -0.19 0.00 2.96 0.07 -2.24 118.68 122.58 2wky s LEU 187 Ca 0.01 -0.80 -0.29 0.00 -0.22 0.00 0.00 54.13 52.82 2wky s LEU 187 Cb -0.13 -1.79 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 2wky s LEU 187 CO 0.02 -0.17 1.16 -0.76 -1.32 0.00 0.00 176.35 175.29 2wky s LEU 188 N 1.42 4.15 -0.00 -0.68 1.43 -0.22 -0.45 118.68 124.32 2wky s LEU 188 Ca 0.01 1.55 -0.23 0.00 -1.03 0.00 0.00 54.13 54.43 2wky s LEU 188 Cb -0.17 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.56 2wky s LEU 188 CO -0.00 -0.72 0.52 -0.32 0.23 0.00 0.00 176.35 176.06 2wky s MET 189 N 3.34 0.95 0.20 1.70 1.75 -0.37 -4.49 119.30 122.39 2wky s MET 189 Ca 0.50 -0.06 -0.32 0.00 -1.25 0.00 0.00 55.69 54.55 2wky s MET 189 Cb -0.19 0.44 -0.14 0.00 2.84 0.00 0.00 34.83 37.78 2wky s MET 189 CO 0.11 -0.31 1.35 0.39 -0.65 0.00 0.00 175.02 175.90 2wky n GLU 190 N 0.78 1.74 -0.28 4.11 1.02 -1.26 -1.69 120.64 125.05 2wky n GLU 190 Ca -0.19 0.62 0.21 0.00 -0.02 0.00 0.00 57.16 57.78 2wky n GLU 190 Cb 0.58 -2.24 0.52 0.00 -0.02 0.00 0.00 31.44 30.28 2wky n GLU 190 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2wky h SER 191 N 4.14 0.41 -0.81 1.62 4.64 -0.18 -1.83 113.55 121.54 2wky h SER 191 Ca -0.45 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 60.89 2wky h SER 191 Cb 1.30 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.34 2wky h SER 191 CO 0.75 0.12 0.36 0.71 -0.87 0.00 0.00 176.83 177.91 2wky h THR 192 N 0.39 1.26 -0.16 2.95 1.35 -1.89 0.37 112.91 117.17 2wky h THR 192 Ca 0.53 -0.77 -0.21 0.00 -0.55 0.00 0.00 66.41 65.42 2wky h THR 192 Cb 1.37 0.24 0.01 0.00 -1.73 0.00 0.00 68.15 68.04 2wky h THR 192 CO -0.22 0.32 -0.72 0.28 -0.25 0.00 0.00 175.52 174.93 2wky h SER 193 N 1.17 0.86 -0.37 5.36 0.02 -1.70 -2.58 113.55 116.31 2wky h SER 193 Ca 0.28 -0.54 0.01 0.00 -0.84 0.00 0.00 61.79 60.70 2wky h SER 193 Cb 0.16 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 2wky h SER 193 CO -0.03 1.33 0.22 0.40 -1.14 0.00 0.00 176.83 177.61 2wky h ILE 194 N 0.51 1.05 -0.40 3.27 2.04 -1.09 -0.99 117.51 121.90 2wky h ILE 194 Ca -0.04 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.73 2wky h ILE 194 Cb 1.34 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 2wky h ILE 194 CO 0.15 0.08 0.08 -0.08 0.00 0.00 0.00 178.15 178.38 2wky h GLU 195 N 0.45 0.20 -0.35 2.37 4.81 -0.90 0.13 114.58 121.29 2wky h GLU 195 Ca 0.15 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.42 2wky h GLU 195 Cb -0.00 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 2wky h GLU 195 CO -0.06 0.13 0.06 -0.92 -0.73 0.00 0.00 179.01 177.49 2wky h TYR 196 N 0.21 0.11 0.29 0.92 3.20 -0.99 -1.88 116.97 118.82 2wky h TYR 196 Ca 0.19 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 2wky h TYR 196 Cb 0.23 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.51 2wky h TYR 196 CO -0.20 0.01 -0.14 0.28 -1.64 0.00 0.00 178.16 176.47 2wky h VAL 197 N 0.18 0.73 -0.05 1.81 2.07 -0.43 -2.97 116.25 117.59 2wky h VAL 197 Ca 0.17 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.52 2wky h VAL 197 Cb 0.19 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2wky h VAL 197 CO -0.22 0.04 0.06 0.71 0.02 0.00 0.00 177.57 178.18 2wky h THR 198 N -0.49 0.50 0.00 2.57 1.35 -0.62 0.24 112.91 116.45 2wky h THR 198 Ca -0.04 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.73 2wky h THR 198 Cb 0.37 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 2wky h THR 198 CO 0.07 0.00 -0.41 1.56 -0.25 0.00 0.00 175.52 176.48 2wky h GLN 199 N 0.00 0.00 -0.01 4.72 1.08 -1.18 -3.27 115.11 116.45 2wky h GLN 199 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2wky h GLN 199 Cb 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2wky h GLN 199 CO -0.00 0.41 -0.21 0.54 -0.95 0.00 0.00 178.83 178.62 2wky n ARG 200 N -3.58 1.62 -3.55 1.46 1.74 0.59 -4.16 116.66 110.78 2wky n ARG 200 Ca -0.00 -0.90 -0.29 0.00 -0.77 0.00 0.00 57.85 55.89 2wky n ARG 200 Cb 0.53 -1.23 -0.12 0.00 -1.02 0.00 0.00 32.46 30.62 2wky n ARG 200 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2wky s ASN 201 N -1.58 3.05 0.17 0.55 0.01 0.16 -4.99 114.94 112.30 2wky s ASN 201 Ca 0.13 -2.52 0.09 0.00 -0.71 0.00 0.00 52.86 49.84 2wky s ASN 201 Cb 0.11 -0.67 0.48 0.00 0.41 0.00 0.00 41.25 41.58 2wky s ASN 201 CO 0.31 -0.27 1.19 0.00 -1.51 0.00 0.00 177.10 176.82 2wky n ASN 203 N -1.78 1.46 -4.65 0.00 6.94 -1.26 -4.91 115.26 111.06 2wky n ASN 203 Ca -0.01 -1.17 -0.27 0.00 -0.02 0.00 0.00 54.58 53.12 2wky n ASN 203 Cb 0.15 0.29 -0.08 0.00 -2.36 0.00 0.00 39.78 37.77 2wky n ASN 203 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2wky s LEU 204 N -2.49 3.27 0.22 -4.53 1.43 0.06 -1.52 118.68 115.13 2wky s LEU 204 Ca 0.22 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 2wky s LEU 204 Cb 0.19 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.46 2wky s LEU 204 CO 0.54 0.10 0.42 0.28 0.23 0.00 0.00 176.35 177.93 2wky s THR 205 N -1.65 0.02 -0.02 5.49 -1.32 0.50 -4.74 115.64 113.91 2wky s THR 205 Ca 0.27 -1.38 -0.18 0.00 -1.21 0.00 0.00 61.69 59.18 2wky s THR 205 Cb -0.10 -2.08 -0.05 0.00 -1.51 0.00 0.00 72.50 68.76 2wky s THR 205 CO 0.18 -0.07 0.51 -1.58 -2.21 0.00 0.00 174.62 171.45 2wky s GLN 206 N -4.00 4.21 -0.22 7.08 0.74 -1.26 -1.91 119.66 124.30 2wky s GLN 206 Ca 0.21 0.58 -0.07 0.00 0.05 0.00 0.00 55.36 56.13 2wky s GLN 206 Cb 0.01 -3.32 -0.03 0.00 1.10 0.00 0.00 33.01 30.76 2wky s GLN 206 CO 0.06 0.43 0.06 0.42 -0.55 0.00 0.00 175.29 175.71 2wky s ILE 207 N -0.32 4.48 0.00 -2.34 -1.09 0.26 -4.98 121.20 117.21 2wky s ILE 207 Ca 0.28 -0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.57 2wky s ILE 207 Cb -0.17 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 2wky s ILE 207 CO 0.15 0.39 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 2wky n GLY 208 N 4.32 -1.42 0.00 6.18 0.00 -1.19 -3.66 105.19 109.42 2wky n GLY 208 Ca -0.16 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2wky n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wky n GLY 209 N 0.00 3.04 3.75 -0.02 0.00 -1.26 -4.86 105.19 105.83 2wky n GLY 209 Ca 0.00 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.74 2wky n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wky s LEU 210 N 0.00 4.43 0.00 0.99 1.43 -1.26 -4.55 118.68 119.71 2wky s LEU 210 Ca 0.00 1.30 0.26 0.00 -1.03 0.00 0.00 54.13 54.66 2wky s LEU 210 Cb 0.00 -3.08 0.70 0.00 0.03 0.00 0.00 46.19 43.83 2wky s LEU 210 CO 0.00 0.05 1.53 2.30 0.23 0.00 0.00 176.35 180.46 2wky n ILE 211 N 2.82 0.00 -3.84 -0.59 -5.35 -0.13 -4.95 119.36 107.32 2wky n ILE 211 Ca -0.04 -0.06 -0.09 0.00 -0.27 0.00 0.00 62.75 62.28 2wky n ILE 211 Cb 0.51 0.26 0.02 0.00 -1.74 0.00 0.00 39.64 38.68 2wky n ILE 211 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 2wky s ASP 212 N -2.75 0.09 -0.06 7.28 -4.77 -1.26 -4.97 116.67 110.24 2wky s ASP 212 Ca 0.18 -1.17 0.01 0.00 -3.30 0.00 0.00 52.55 48.27 2wky s ASP 212 Cb 0.18 0.83 0.02 0.00 -1.09 0.00 0.00 42.92 42.87 2wky s ASP 212 CO 0.60 -1.65 -0.07 -0.55 0.70 0.00 0.00 175.17 174.20 2wky s SER 213 N -3.08 1.30 0.32 2.11 0.15 -1.26 -4.22 113.70 109.01 2wky s SER 213 Ca 0.17 -0.19 -0.19 0.00 0.70 0.00 0.00 55.95 56.44 2wky s SER 213 Cb -0.05 -0.59 0.04 0.00 -1.71 0.00 0.00 66.02 63.72 2wky s SER 213 CO 0.12 -0.04 0.78 -1.59 1.20 0.00 0.00 173.24 173.71 2wky s LYS 214 N 0.93 1.97 0.18 5.44 -2.85 -0.15 -5.00 119.74 120.25 2wky s LYS 214 Ca -0.11 -1.19 -0.03 0.00 -1.00 0.00 0.00 55.97 53.64 2wky s LYS 214 Cb -0.15 0.60 -0.03 0.00 -2.06 0.00 0.00 37.83 36.19 2wky s LYS 214 CO 0.00 -0.91 0.16 0.20 0.10 0.00 0.00 175.35 174.90 2wky s GLY 215 N -3.01 1.07 -0.15 0.59 0.00 -1.26 -0.19 107.32 104.36 2wky s GLY 215 Ca 0.14 -1.43 -0.12 0.00 0.00 0.00 0.00 44.72 43.30 2wky s GLY 215 CO 0.09 -1.23 0.25 -0.19 0.00 0.00 0.00 173.10 172.01 2wky s TYR 216 N -4.08 3.49 0.15 1.90 2.02 -0.31 -1.13 117.35 119.39 2wky s TYR 216 Ca 0.29 0.56 0.06 0.00 -0.37 0.00 0.00 57.07 57.61 2wky s TYR 216 Cb 0.06 -2.24 -0.04 0.00 -0.40 0.00 0.00 41.96 39.33 2wky s TYR 216 CO 0.07 0.35 -0.12 0.20 -1.57 0.00 0.00 175.55 174.48 2wky s GLY 217 N 0.11 1.16 -0.13 0.71 0.00 -1.06 -1.08 107.32 107.03 2wky s GLY 217 Ca 0.15 -1.48 -0.29 0.00 0.00 0.00 0.00 44.72 43.10 2wky s GLY 217 CO 0.03 -1.57 1.07 0.14 0.00 0.00 0.00 173.10 172.78 2wky s VAL 218 N -2.92 4.62 0.24 1.40 1.01 -1.26 -4.67 120.40 118.83 2wky s VAL 218 Ca 0.16 1.92 -0.15 0.00 0.00 0.00 0.00 61.98 63.91 2wky s VAL 218 Cb -0.00 -4.23 -0.08 0.00 0.00 0.00 0.00 36.38 32.06 2wky s VAL 218 CO 0.03 -0.05 0.66 -0.83 0.00 0.00 0.00 175.10 174.90 2wky s GLY 219 N 1.26 2.42 0.06 4.51 0.00 0.18 -0.53 107.32 115.21 2wky s GLY 219 Ca 0.49 -0.03 -0.09 0.00 0.00 0.00 0.00 44.72 45.10 2wky s GLY 219 CO 0.16 0.22 0.19 -0.51 0.00 0.00 0.00 173.10 173.15 2wky s THR 220 N -1.73 0.12 0.63 0.90 -4.23 -0.45 -0.64 115.64 110.24 2wky s THR 220 Ca 0.47 -1.03 -0.18 0.00 -1.18 0.00 0.00 61.69 59.77 2wky s THR 220 Cb -0.13 -1.10 -0.02 0.00 1.34 0.00 0.00 72.50 72.60 2wky s THR 220 CO 0.19 -0.57 1.22 -2.84 -0.54 0.00 0.00 174.62 172.09 2wky s PRO 221 N -3.12 2.76 0.25 3.99 0.02 -1.26 -0.15 135.00 137.48 2wky s PRO 221 Ca -0.01 1.86 -0.31 0.00 0.02 0.00 0.00 61.00 62.56 2wky s PRO 221 Cb 0.02 -1.90 -0.13 0.00 0.02 0.00 0.00 34.50 32.51 2wky s PRO 221 CO -0.07 -1.38 1.49 -0.89 -0.33 0.00 0.00 177.00 175.82 2wky n ILE 222 N -1.84 0.87 -0.75 2.83 5.41 -1.26 -1.41 119.36 123.21 2wky n ILE 222 Ca 0.14 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.67 2wky n ILE 222 Cb 0.49 -1.66 0.00 0.00 -0.71 0.00 0.00 39.64 37.76 2wky n ILE 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2wky n GLY 223 N 2.32 0.69 3.75 7.39 0.00 -1.26 -4.98 105.19 113.10 2wky n GLY 223 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2wky n GLY 223 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wky s SER 224 N -2.24 6.69 0.17 1.61 0.15 -0.50 -4.90 113.70 114.68 2wky s SER 224 Ca 0.00 2.66 0.25 0.00 0.70 0.00 0.00 55.95 59.57 2wky s SER 224 Cb 0.00 -2.63 0.91 0.00 -1.71 0.00 0.00 66.02 62.59 2wky s SER 224 CO 0.00 -0.66 1.77 -0.81 1.20 0.00 0.00 173.24 174.74 2wky n PRO 225 N 1.96 0.18 0.12 5.44 -0.04 -1.26 -3.35 135.00 138.05 2wky n PRO 225 Ca 0.05 0.23 0.07 0.00 -0.04 0.00 0.00 63.50 63.81 2wky n PRO 225 Cb 0.41 -1.75 0.02 0.00 -0.04 0.00 0.00 33.50 32.14 2wky n PRO 225 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2wky h TYR 226 N 0.00 0.00 0.02 0.54 -1.99 -1.97 -3.39 116.97 110.18 2wky h TYR 226 Ca 0.00 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.76 2wky h TYR 226 Cb 0.57 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.25 2wky h TYR 226 CO 0.00 0.24 -0.45 -0.09 -0.00 0.00 0.00 178.16 177.86 2wky h ARG 227 N 0.00 -0.59 -0.37 4.88 2.43 -1.91 0.22 114.38 119.04 2wky h ARG 227 Ca -0.04 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2wky h ARG 227 Cb 1.22 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.89 2wky h ARG 227 CO 0.02 -0.39 0.11 -0.44 -1.51 0.00 0.00 179.97 177.76 2wky h ASP 228 N -0.61 0.48 -0.45 -3.80 3.32 -1.82 -0.53 116.42 113.01 2wky h ASP 228 Ca 0.04 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 2wky h ASP 228 Cb 0.68 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 2wky h ASP 228 CO -0.32 0.47 -0.03 0.11 -1.72 0.00 0.00 179.24 177.75 2wky h LYS 229 N 0.52 0.81 -0.34 3.56 1.57 -1.57 -1.09 116.57 120.04 2wky h LYS 229 Ca 0.13 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 2wky h LYS 229 Cb 0.17 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2wky h LYS 229 CO -0.01 0.89 0.11 0.82 -0.57 0.00 0.00 179.45 180.69 2wky h ILE 230 N 0.65 1.20 0.04 1.86 1.08 -0.05 -1.79 117.51 120.50 2wky h ILE 230 Ca 0.12 -0.65 0.03 0.00 -0.39 0.00 0.00 64.86 63.98 2wky h ILE 230 Cb 0.54 0.99 -0.05 0.00 -3.07 0.00 0.00 36.82 35.24 2wky h ILE 230 CO 0.03 0.22 -0.35 0.74 -0.69 0.00 0.00 178.15 178.10 2wky h THR 231 N 0.39 0.26 -0.96 -0.27 2.02 -0.90 0.12 112.91 113.57 2wky h THR 231 Ca 0.11 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.38 2wky h THR 231 Cb 0.23 0.26 -0.08 0.00 -1.74 0.00 0.00 68.15 66.83 2wky h THR 231 CO -0.00 0.00 0.60 0.40 0.37 0.00 0.00 175.52 176.89 2wky h ILE 232 N -0.53 0.98 -0.57 3.11 2.04 -1.09 -1.24 117.51 120.20 2wky h ILE 232 Ca 0.05 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 2wky h ILE 232 Cb 0.60 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 2wky h ILE 232 CO -0.26 0.19 0.09 0.00 0.00 0.00 0.00 178.15 178.16 2wky h ALA 233 N 1.49 0.76 -0.38 1.87 0.00 -0.41 -2.33 119.26 120.26 2wky h ALA 233 Ca 0.45 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2wky h ALA 233 Cb 0.35 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2wky h ALA 233 CO -0.23 0.51 0.23 0.82 0.00 0.00 0.00 179.25 180.58 2wky h ILE 234 N 0.85 1.12 -0.99 0.00 2.04 0.11 -0.36 117.51 120.28 2wky h ILE 234 Ca 0.17 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.80 2wky h ILE 234 Cb 0.43 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 2wky h ILE 234 CO 0.01 0.12 0.64 -0.07 0.00 0.00 0.00 178.15 178.86 2wky h LEU 235 N 0.49 1.05 -0.58 1.44 3.38 -1.13 0.27 115.31 120.24 2wky h LEU 235 Ca 0.13 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 2wky h LEU 235 Cb 0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2wky h LEU 235 CO -0.03 0.70 0.03 -0.61 0.09 0.00 0.00 178.44 178.62 2wky h GLN 236 N 1.21 1.00 -0.58 1.13 4.15 -0.96 -0.72 115.11 120.33 2wky h GLN 236 Ca 0.41 -0.30 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 2wky h GLN 236 Cb 0.08 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 2wky h GLN 236 CO -0.15 0.98 0.21 -0.07 -1.93 0.00 0.00 178.83 177.87 2wky h LEU 237 N 0.89 0.82 -0.45 -2.39 3.38 0.09 -1.83 115.31 115.82 2wky h LEU 237 Ca 0.17 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 2wky h LEU 237 Cb 0.51 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2wky h LEU 237 CO 0.02 0.79 -0.34 0.06 0.09 0.00 0.00 178.44 179.06 2wky h GLN 238 N 0.81 0.92 0.00 1.13 -0.00 -0.81 -1.03 115.11 116.13 2wky h GLN 238 Ca 0.19 -0.46 -0.04 0.00 -0.00 0.00 0.00 58.65 58.35 2wky h GLN 238 Cb 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.71 2wky h GLN 238 CO -0.01 1.11 -0.18 0.93 -0.00 0.00 0.00 178.83 180.68 2wky h GLU 239 N 0.77 0.00 -0.00 0.06 5.08 -0.99 -1.68 114.58 117.82 2wky h GLU 239 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2wky h GLU 239 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2wky h GLU 239 CO 0.09 0.18 -0.25 0.39 -1.00 0.00 0.00 179.01 178.42 2wky n GLU 240 N -3.69 0.36 -0.83 2.33 1.02 -0.70 -4.92 120.64 114.21 2wky n GLU 240 Ca -0.01 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2wky n GLU 240 Cb 0.30 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 2wky n GLU 240 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wky n GLY 241 N 1.40 0.71 0.22 0.62 0.00 -0.63 -4.94 105.19 102.57 2wky n GLY 241 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 2wky n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wky h LYS 242 N 2.23 0.50 -0.42 1.61 1.57 -1.43 -2.15 116.57 118.48 2wky h LYS 242 Ca 0.00 -0.28 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 2wky h LYS 242 Cb 0.00 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2wky h LYS 242 CO 0.00 0.86 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.53 2wky h LEU 243 N 0.41 0.77 -0.54 2.94 3.38 -1.85 -0.71 115.31 119.71 2wky h LEU 243 Ca 0.03 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 2wky h LEU 243 Cb 0.97 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2wky h LEU 243 CO 0.09 0.92 -0.07 -0.74 0.09 0.00 0.00 178.44 178.73 2wky h HIS 244 N 0.70 1.10 -0.61 1.13 2.76 -1.85 -1.83 115.15 116.54 2wky h HIS 244 Ca 0.11 -0.22 -0.04 0.00 -2.20 0.00 0.00 60.37 58.03 2wky h HIS 244 Cb 0.63 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 29.28 2wky h HIS 244 CO 0.03 1.02 0.24 0.52 -1.30 0.00 0.00 177.93 178.44 2wky h MET 245 N 0.87 0.92 -0.77 5.26 2.86 -1.09 -1.44 114.93 121.54 2wky h MET 245 Ca 0.14 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 2wky h MET 245 Cb 0.62 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 2wky h MET 245 CO 0.04 0.78 0.35 0.52 1.06 0.00 0.00 176.91 179.66 2wky h MET 246 N 0.86 1.12 -0.12 1.72 2.07 -0.94 -0.93 114.93 118.71 2wky h MET 246 Ca 0.20 -0.18 -0.01 0.00 -2.07 0.00 0.00 59.70 57.64 2wky h MET 246 Cb 0.21 -0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 29.74 2wky h MET 246 CO -0.02 0.89 0.03 -0.22 1.07 0.00 0.00 176.91 178.66 2wky h LYS 247 N 1.09 0.20 -0.75 1.72 3.64 -1.09 -2.61 116.57 118.76 2wky h LYS 247 Ca 0.26 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.69 2wky h LYS 247 Cb 0.16 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 2wky h LYS 247 CO -0.03 0.37 0.50 1.49 -2.27 0.00 0.00 179.45 179.51 2wky h GLU 248 N -0.01 0.65 -0.39 1.90 4.57 -1.05 0.26 114.58 120.52 2wky h GLU 248 Ca 0.04 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2wky h GLU 248 Cb 0.26 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 2wky h GLU 248 CO 0.00 0.43 0.05 -0.22 -1.18 0.00 0.00 179.01 178.10 2wky h LYS 249 N 0.67 0.66 0.00 1.92 3.64 -0.85 -2.92 116.57 119.69 2wky h LYS 249 Ca 0.35 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2wky h LYS 249 Cb 0.45 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2wky h LYS 249 CO -0.13 0.72 -0.84 0.91 -2.27 0.00 0.00 179.45 177.84 2wky n TRP 250 N -4.52 0.21 -0.07 1.91 7.02 -0.94 -4.49 117.44 116.56 2wky n TRP 250 Ca -0.01 0.06 -0.21 0.00 -1.02 0.00 0.00 57.50 56.33 2wky n TRP 250 Cb 0.24 -0.37 -0.13 0.00 -2.42 0.00 0.00 31.31 28.63 2wky n TRP 250 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 2wky n TRP 251 N -1.82 0.62 -1.69 -5.99 8.01 0.04 -4.88 117.44 111.72 2wky n TRP 251 Ca 0.03 0.15 -0.61 0.00 -1.31 0.00 0.00 57.50 55.76 2wky n TRP 251 Cb 0.40 -1.08 -0.08 0.00 -2.01 0.00 0.00 31.31 28.54 2wky n TRP 251 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.69 174.55 2wky n ARG 252 N -3.54 0.56 0.00 -0.99 3.00 -1.10 -4.88 116.66 109.71 2wky n ARG 252 Ca -0.40 0.21 0.00 0.00 -0.00 0.00 0.00 57.85 57.66 2wky n ARG 252 Cb 0.98 -1.79 0.00 0.00 0.00 0.00 0.00 32.46 31.65 2wky n ARG 252 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wky n GLY 253 N 3.68 1.33 0.08 5.14 0.00 -1.26 -5.03 105.19 109.13 2wky n GLY 253 Ca 0.27 -1.52 0.01 0.00 0.00 0.00 0.00 46.02 44.78 2wky n GLY 253 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wky n ASN 254 N 0.00 0.95 0.00 1.61 4.13 -1.26 -5.09 115.26 115.60 2wky n ASN 254 Ca 0.00 -0.97 0.00 0.00 1.68 0.00 0.00 54.58 55.29 2wky n ASN 254 Cb 0.00 0.25 0.00 0.00 -1.54 0.00 0.00 39.78 38.49 2wky n ASN 254 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wky n GLY 255 N 0.38 2.74 0.00 7.41 0.00 -1.26 -5.20 105.19 109.27 2wky n GLY 255 Ca 0.01 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.44 2wky n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32