#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1klk s LYS 5 N 0.00 -2.68 0.53 -1.09 1.02 -1.26 -4.98 119.74 111.28 1klk s LYS 5 Ca 0.00 0.20 -0.18 0.00 0.02 0.00 0.00 55.97 56.01 1klk s LYS 5 Cb 0.00 -1.40 -0.07 0.00 -0.52 0.00 0.00 37.83 35.84 1klk s LYS 5 CO 0.00 -4.72 1.02 -1.12 -0.92 0.00 0.00 175.35 169.61 1klk s SER 6 N -3.11 6.27 -0.07 2.83 0.01 -1.26 -4.98 113.70 113.38 1klk s SER 6 Ca 0.69 1.76 -0.01 0.00 1.31 0.00 0.00 55.95 59.70 1klk s SER 6 Cb -0.14 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 1klk s SER 6 CO 0.59 -0.83 -0.00 -0.76 0.41 0.00 0.00 173.24 172.64 1klk s LEU 7 N -4.01 3.54 -0.05 2.44 1.43 -1.06 -4.32 118.68 116.65 1klk s LEU 7 Ca 0.63 0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.90 1klk s LEU 7 Cb -0.14 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 1klk s LEU 7 CO 0.29 0.36 -0.25 -0.89 0.23 0.00 0.00 176.35 176.09 1klk s THR 8 N -0.91 2.04 -0.16 5.49 2.01 -0.28 -2.77 115.64 121.06 1klk s THR 8 Ca 0.14 -1.07 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 1klk s THR 8 Cb -0.11 -1.72 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 1klk s THR 8 CO 0.03 0.57 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.26 1klk s LEU 9 N -0.26 3.13 -0.11 4.42 0.20 -0.47 0.34 118.68 125.92 1klk s LEU 9 Ca -0.01 -0.19 0.03 0.00 0.69 0.00 0.00 54.13 54.65 1klk s LEU 9 Cb -0.13 -1.75 0.01 0.00 -0.43 0.00 0.00 46.19 43.88 1klk s LEU 9 CO 0.03 0.14 -0.21 -0.51 -0.29 0.00 0.00 176.35 175.51 1klk s ILE 10 N 0.52 1.85 0.03 6.68 2.07 -1.10 0.51 121.20 131.77 1klk s ILE 10 Ca -0.04 -0.88 -0.14 0.00 -1.41 0.00 0.00 60.65 58.18 1klk s ILE 10 Cb -0.15 -1.63 0.02 0.00 0.13 0.00 0.00 42.46 40.84 1klk s ILE 10 CO 0.03 0.51 0.31 0.54 -1.91 0.00 0.00 174.94 174.42 1klk s VAL 11 N 0.59 0.08 -0.17 4.00 0.11 -0.12 -4.35 120.40 120.54 1klk s VAL 11 Ca -0.14 -0.63 0.01 0.00 -2.93 0.00 0.00 61.98 58.30 1klk s VAL 11 Cb -0.17 -0.88 0.02 0.00 -1.53 0.00 0.00 36.38 33.82 1klk s VAL 11 CO 0.04 -0.35 -0.20 0.00 -3.33 0.00 0.00 175.10 171.27 1klk s ALA 12 N -2.32 2.27 0.03 1.54 0.00 -1.26 -0.98 121.76 121.04 1klk s ALA 12 Ca -0.07 -1.16 -0.07 0.00 0.00 0.00 0.00 51.96 50.66 1klk s ALA 12 Cb -0.02 -1.12 -0.00 0.00 0.00 0.00 0.00 23.12 21.98 1klk s ALA 12 CO -0.02 -0.27 0.14 -0.48 0.00 0.00 0.00 175.76 175.13 1klk s LEU 13 N 1.19 1.60 1.05 0.00 -0.00 0.14 -4.69 118.68 117.96 1klk s LEU 13 Ca 0.02 -0.42 -0.17 0.00 -0.00 0.00 0.00 54.13 53.56 1klk s LEU 13 Cb -0.14 0.75 0.23 0.00 -0.00 0.00 0.00 46.19 47.03 1klk s LEU 13 CO -0.10 -0.50 1.25 0.42 -0.00 0.00 0.00 176.35 177.41 1klk s THR 14 N -2.38 1.86 -0.86 5.48 -4.23 -0.27 -0.87 115.64 114.37 1klk s THR 14 Ca -0.07 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 60.67 1klk s THR 14 Cb -0.02 -2.82 0.21 0.00 1.34 0.00 0.00 72.50 71.21 1klk s THR 14 CO -0.03 0.00 1.71 0.35 -0.54 0.00 0.00 174.62 176.11 1klk n THR 15 N -4.12 0.58 -0.86 3.99 -2.24 -1.05 -1.82 114.28 108.76 1klk n THR 15 Ca 0.15 0.08 0.08 0.00 -2.27 0.00 0.00 64.05 62.08 1klk n THR 15 Cb 0.59 -0.80 0.39 0.00 -2.10 0.00 0.00 70.33 68.41 1klk n THR 15 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1klk n SER 16 N -1.76 5.44 -1.46 3.42 3.41 -1.26 -4.91 113.62 116.51 1klk n SER 16 Ca 0.05 -2.85 -0.19 0.00 -0.26 0.00 0.00 58.87 55.62 1klk n SER 16 Cb 0.28 -0.66 -0.08 0.00 -0.26 0.00 0.00 64.21 63.49 1klk n SER 16 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1klk n TYR 17 N 0.63 -0.03 -2.53 7.33 4.01 -0.76 -4.91 117.16 120.90 1klk n TYR 17 Ca 0.27 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.61 1klk n TYR 17 Cb 1.12 -3.19 -0.05 0.00 -0.31 0.00 0.00 39.34 36.92 1klk n TYR 17 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1klk s GLY 18 N -2.78 3.05 0.00 2.72 0.00 -1.26 -1.24 107.32 107.80 1klk s GLY 18 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.56 1klk s GLY 18 CO 0.00 1.46 0.59 0.29 0.00 0.00 0.00 173.10 175.44 1klk n ILE 19 N 1.38 0.34 0.00 0.90 -5.35 -0.06 -1.11 119.36 115.46 1klk n ILE 19 Ca -0.01 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 1klk n ILE 19 Cb 0.45 0.99 0.00 0.00 -1.74 0.00 0.00 39.64 39.35 1klk n ILE 19 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1klk n GLY 20 N -0.17 1.35 2.79 3.28 0.00 -1.21 -4.92 105.19 106.31 1klk n GLY 20 Ca 0.00 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 1klk n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1klk s ARG 21 N -2.00 0.81 -0.98 1.61 6.06 -0.20 -0.88 118.95 123.38 1klk s ARG 21 Ca 0.00 -0.10 -0.08 0.00 -2.50 0.00 0.00 55.73 53.05 1klk s ARG 21 Cb 0.00 -1.38 -0.03 0.00 0.06 0.00 0.00 34.95 33.60 1klk s ARG 21 CO 0.00 -0.38 0.81 0.43 -2.50 0.00 0.00 175.30 173.66 1klk n SER 22 N 5.08 -6.46 -3.72 -2.12 7.64 -1.26 -2.34 113.62 110.44 1klk n SER 22 Ca -0.09 -0.66 -0.27 0.00 1.01 0.00 0.00 58.87 58.87 1klk n SER 22 Cb 0.49 -4.50 -0.04 0.00 -1.01 0.00 0.00 64.21 59.16 1klk n SER 22 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1klk n ASN 23 N -2.68 -2.26 -2.42 6.43 5.03 -1.26 -4.86 115.26 113.25 1klk n ASN 23 Ca -0.07 -0.58 -0.09 0.00 0.87 0.00 0.00 54.58 54.70 1klk n ASN 23 Cb 0.59 -1.94 -0.00 0.00 -1.02 0.00 0.00 39.78 37.41 1klk n ASN 23 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1klk n SER 24 N -2.20 -1.39 -4.35 6.41 2.88 -0.99 -4.85 113.62 109.14 1klk n SER 24 Ca 0.05 -2.31 -0.36 0.00 -1.33 0.00 0.00 58.87 54.92 1klk n SER 24 Cb 0.49 2.41 -0.13 0.00 -0.75 0.00 0.00 64.21 66.23 1klk n SER 24 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1klk s LEU 25 N 0.00 3.40 0.00 2.46 1.43 -1.26 -1.03 118.68 123.69 1klk s LEU 25 Ca 0.17 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1klk s LEU 25 Cb -0.02 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.37 1klk s LEU 25 CO 0.12 -0.10 0.33 -0.81 0.23 0.00 0.00 176.35 176.12 1klk n PRO 26 N 4.84 0.35 -3.51 1.29 -0.04 -1.26 -4.69 135.00 131.98 1klk n PRO 26 Ca -0.16 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.15 1klk n PRO 26 Cb 0.50 -1.31 -0.05 0.00 -0.04 0.00 0.00 33.50 32.60 1klk n PRO 26 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1klk s TRP 27 N 0.43 -0.57 -0.55 0.54 -2.14 -1.26 -5.03 118.94 110.37 1klk s TRP 27 Ca 0.00 0.85 0.04 0.00 2.66 0.00 0.00 56.10 59.65 1klk s TRP 27 Cb 0.00 0.45 0.14 0.00 -3.10 0.00 0.00 33.47 30.96 1klk s TRP 27 CO 0.00 -0.60 0.32 0.21 -2.66 0.00 0.00 176.95 174.22 1klk s LYS 28 N -1.72 1.98 -0.21 3.25 2.20 -1.26 -5.07 119.74 118.90 1klk s LYS 28 Ca -0.06 -2.71 -0.07 0.00 -0.36 0.00 0.00 55.97 52.76 1klk s LYS 28 Cb -0.00 -3.17 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 1klk s LYS 28 CO 0.03 -1.17 0.07 -0.51 -0.36 0.00 0.00 175.35 173.41 1klk s LEU 29 N -0.49 3.62 -0.02 5.43 1.02 -1.26 -4.99 118.68 121.98 1klk s LEU 29 Ca 0.19 -0.06 -0.02 0.00 0.02 0.00 0.00 54.13 54.26 1klk s LEU 29 Cb -0.20 -1.94 -0.27 0.00 0.02 0.00 0.00 46.19 43.80 1klk s LEU 29 CO -0.05 0.07 0.75 0.50 0.02 0.00 0.00 176.35 177.64 1klk h LYS 30 N 7.46 0.22 0.00 1.70 3.64 -1.97 -3.30 116.57 124.32 1klk h LYS 30 Ca -0.37 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 58.64 1klk h LYS 30 Cb 1.17 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1klk h LYS 30 CO 0.63 1.05 0.00 -0.22 -2.27 0.00 0.00 179.45 178.64 1klk h LYS 31 N 0.06 0.00 0.06 1.90 3.64 -2.01 -3.20 116.57 117.02 1klk h LYS 31 Ca -0.28 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.00 1klk h LYS 31 Cb 2.02 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.85 1klk h LYS 31 CO 0.14 0.00 -0.43 1.49 -2.27 0.00 0.00 179.45 178.38 1klk h GLU 32 N 0.00 0.18 -0.33 1.90 4.22 -2.00 -3.10 114.58 115.45 1klk h GLU 32 Ca 0.00 -0.28 0.10 0.00 0.08 0.00 0.00 59.36 59.26 1klk h GLU 32 Cb 0.90 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1klk h GLU 32 CO 0.00 1.10 0.25 0.82 -2.18 0.00 0.00 179.01 179.00 1klk h ILE 33 N -0.60 0.79 -0.06 2.32 1.08 -1.63 0.88 117.51 120.29 1klk h ILE 33 Ca -0.07 0.00 -0.21 0.00 -0.39 0.00 0.00 64.86 64.19 1klk h ILE 33 Cb 1.30 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 35.87 1klk h ILE 33 CO 0.08 0.00 -0.82 0.28 -0.69 0.00 0.00 178.15 177.00 1klk h SER 34 N 0.00 0.61 0.34 1.72 0.02 -1.60 -2.58 113.55 112.06 1klk h SER 34 Ca 0.16 -0.43 -0.02 0.00 -0.84 0.00 0.00 61.79 60.66 1klk h SER 34 Cb 0.65 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1klk h SER 34 CO -0.00 1.21 -0.16 0.22 -1.14 0.00 0.00 176.83 176.95 1klk h TYR 35 N 0.32 -0.42 -0.65 3.45 3.20 -0.83 -2.16 116.97 119.87 1klk h TYR 35 Ca -0.06 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.91 1klk h TYR 35 Cb 1.43 0.14 -0.12 0.00 1.54 0.00 0.00 36.73 39.72 1klk h TYR 35 CO 0.06 -0.21 -0.38 0.35 -1.64 0.00 0.00 178.16 176.34 1klk h PHE 36 N -0.54 -1.08 -0.50 -3.82 3.57 -0.98 -0.77 116.94 112.82 1klk h PHE 36 Ca -0.05 0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1klk h PHE 36 Cb 0.40 0.57 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 1klk h PHE 36 CO -0.03 -0.40 0.24 -0.22 -2.23 0.00 0.00 178.31 175.67 1klk h LYS 37 N -0.16 0.71 -0.61 1.11 3.64 -1.38 -1.08 116.57 118.80 1klk h LYS 37 Ca 0.23 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.43 1klk h LYS 37 Cb 0.56 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1klk h LYS 37 CO -0.73 0.59 0.09 0.00 -2.27 0.00 0.00 179.45 177.13 1klk h ARG 38 N 0.66 1.02 -0.11 1.90 2.47 -0.85 0.59 114.38 120.06 1klk h ARG 38 Ca 0.17 -0.28 -0.01 0.00 -1.26 0.00 0.00 59.98 58.60 1klk h ARG 38 Cb 0.11 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.31 1klk h ARG 38 CO -0.02 0.96 0.03 0.28 0.56 0.00 0.00 179.97 181.78 1klk h VAL 39 N 0.93 1.20 0.00 2.04 2.07 -0.98 0.67 116.25 122.18 1klk h VAL 39 Ca 0.19 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1klk h VAL 39 Cb 0.44 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1klk h VAL 39 CO 0.01 0.18 0.00 0.71 0.02 0.00 0.00 177.57 178.49 1klk h THR 40 N -0.03 0.00 0.00 2.57 1.35 -1.15 -3.24 112.91 112.41 1klk h THR 40 Ca 0.03 -0.42 -0.05 0.00 -0.55 0.00 0.00 66.41 65.42 1klk h THR 40 Cb 0.26 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1klk h THR 40 CO 0.00 0.00 -1.99 -1.20 -0.25 0.00 0.00 175.52 172.09 1klk n SER 41 N -2.45 0.32 -4.76 5.36 7.64 0.19 -4.71 113.62 115.21 1klk n SER 41 Ca 0.03 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.51 1klk n SER 41 Cb 0.33 1.80 -0.03 0.00 -1.01 0.00 0.00 64.21 65.31 1klk n SER 41 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1klk s PHE 42 N -3.29 3.17 -0.06 1.43 2.19 0.23 -4.89 117.98 116.77 1klk s PHE 42 Ca -0.08 1.45 -0.01 0.00 0.33 0.00 0.00 56.93 58.62 1klk s PHE 42 Cb 0.12 -3.60 0.03 0.00 -1.31 0.00 0.00 43.02 38.26 1klk s PHE 42 CO 0.84 -1.61 0.02 0.14 1.83 0.00 0.00 175.22 176.44 1klk s VAL 43 N -1.02 0.21 0.22 3.12 -7.23 -1.26 -4.96 120.40 109.47 1klk s VAL 43 Ca 0.49 0.20 -0.32 0.00 -1.81 0.00 0.00 61.98 60.54 1klk s VAL 43 Cb -0.38 -0.39 -0.14 0.00 0.56 0.00 0.00 36.38 36.04 1klk s VAL 43 CO 0.49 0.22 1.44 -2.65 -0.31 0.00 0.00 175.10 174.29 1klk n PRO 44 N 5.02 2.02 -0.34 4.82 -0.02 -1.26 -4.89 135.00 140.34 1klk n PRO 44 Ca -0.09 0.72 0.05 0.00 -2.02 0.00 0.00 63.50 62.15 1klk n PRO 44 Cb 0.50 -2.40 0.20 0.00 -0.02 0.00 0.00 33.50 31.78 1klk n PRO 44 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1klk h THR 45 N 3.18 0.97 -0.09 3.45 2.02 -2.00 -2.60 112.91 117.84 1klk h THR 45 Ca -0.45 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1klk h THR 45 Cb 1.27 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1klk h THR 45 CO 0.79 0.18 0.06 2.19 0.37 0.00 0.00 175.52 179.11 1klk h PHE 46 N 1.00 0.10 -3.33 3.16 -5.15 -2.05 -3.43 116.94 107.24 1klk h PHE 46 Ca 0.45 0.00 -0.43 0.00 -0.20 0.00 0.00 57.97 57.79 1klk h PHE 46 Cb 0.35 -0.03 0.20 0.00 0.22 0.00 0.00 35.95 36.69 1klk h PHE 46 CO -0.02 0.06 0.03 -0.51 -2.00 0.00 0.00 178.31 175.87 1klk s ASP 47 N -6.98 0.97 0.50 -0.68 1.01 -0.98 -4.91 116.67 105.60 1klk s ASP 47 Ca -0.06 1.32 -0.22 0.00 0.71 0.00 0.00 52.55 54.30 1klk s ASP 47 Cb 0.17 -2.04 -0.08 0.00 1.01 0.00 0.00 42.92 41.99 1klk s ASP 47 CO 0.68 -4.18 1.11 -0.24 0.21 0.00 0.00 175.17 172.76 1klk n SER 48 N -4.88 1.65 -0.19 0.27 2.88 -1.26 -4.93 113.62 107.16 1klk n SER 48 Ca 0.04 0.97 -0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1klk n SER 48 Cb 0.56 -1.44 0.10 0.00 -0.75 0.00 0.00 64.21 62.68 1klk n SER 48 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1klk h PHE 49 N 1.33 0.20 -0.60 0.66 3.57 -1.91 -2.81 116.94 117.37 1klk h PHE 49 Ca -0.48 0.03 -0.37 0.00 3.53 0.00 0.00 57.97 60.69 1klk h PHE 49 Cb 1.33 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 39.92 1klk h PHE 49 CO 0.43 -0.02 0.43 0.39 -2.23 0.00 0.00 178.31 177.31 1klk n GLU 50 N -5.12 1.96 -2.92 1.11 -0.58 -1.26 -4.95 120.64 108.87 1klk n GLU 50 Ca 0.08 -1.79 -0.41 0.00 -0.42 0.00 0.00 57.16 54.63 1klk n GLU 50 Cb 0.30 -1.75 -0.04 0.00 -0.57 0.00 0.00 31.44 29.38 1klk n GLU 50 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1klk s SER 51 N 0.13 7.14 0.12 1.62 0.15 -1.06 -0.98 113.70 120.82 1klk s SER 51 Ca 0.38 1.37 0.04 0.00 0.70 0.00 0.00 55.95 58.44 1klk s SER 51 Cb 0.28 -2.47 -0.04 0.00 -1.71 0.00 0.00 66.02 62.08 1klk s SER 51 CO -0.04 -0.16 -0.10 -0.32 1.20 0.00 0.00 173.24 173.82 1klk s MET 52 N 0.81 0.97 0.33 5.44 1.75 0.54 -4.89 119.30 124.24 1klk s MET 52 Ca 0.43 -1.33 0.06 0.00 -1.25 0.00 0.00 55.69 53.59 1klk s MET 52 Cb -0.19 -0.57 -0.01 0.00 2.84 0.00 0.00 34.83 36.90 1klk s MET 52 CO 0.22 0.07 0.47 -0.80 -0.65 0.00 0.00 175.02 174.34 1klk s ASN 53 N -2.87 6.02 -0.01 1.11 0.01 -1.26 0.12 114.94 118.05 1klk s ASN 53 Ca 0.12 -0.09 0.05 0.00 -0.71 0.00 0.00 52.86 52.23 1klk s ASN 53 Cb 0.01 -1.37 -0.01 0.00 0.41 0.00 0.00 41.25 40.28 1klk s ASN 53 CO -0.00 -0.40 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.35 1klk s VAL 54 N -2.18 1.24 -0.13 1.60 1.01 -0.34 -0.29 120.40 121.31 1klk s VAL 54 Ca 0.43 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1klk s VAL 54 Cb -0.09 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.26 1klk s VAL 54 CO 0.31 0.35 -0.21 0.68 0.00 0.00 0.00 175.10 176.24 1klk s VAL 55 N -0.34 1.93 -0.13 2.92 -7.23 -0.56 0.75 120.40 117.75 1klk s VAL 55 Ca 0.05 -0.91 -0.07 0.00 -1.81 0.00 0.00 61.98 59.25 1klk s VAL 55 Cb -0.06 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 1klk s VAL 55 CO -0.00 0.53 0.12 -0.76 -0.31 0.00 0.00 175.10 174.67 1klk s LEU 56 N 0.82 4.28 0.04 1.32 1.02 0.33 -2.48 118.68 124.00 1klk s LEU 56 Ca -0.08 0.40 -0.12 0.00 0.02 0.00 0.00 54.13 54.36 1klk s LEU 56 Cb -0.16 -2.04 0.01 0.00 0.02 0.00 0.00 46.19 44.02 1klk s LEU 56 CO -0.01 0.38 0.25 0.00 0.02 0.00 0.00 176.35 176.99 1klk s MET 57 N -0.85 0.74 1.07 1.70 0.23 -0.79 -0.46 119.30 120.94 1klk s MET 57 Ca 0.14 -0.53 -0.17 0.00 -1.03 0.00 0.00 55.69 54.09 1klk s MET 57 Cb -0.12 0.31 0.24 0.00 -1.53 0.00 0.00 34.83 33.73 1klk s MET 57 CO 0.03 -0.22 1.22 0.20 -2.03 0.00 0.00 175.02 174.22 1klk s GLY 58 N -2.00 1.68 0.06 3.16 0.00 -1.07 -0.96 107.32 108.20 1klk s GLY 58 Ca -0.06 -1.06 -0.15 0.00 0.00 0.00 0.00 44.72 43.45 1klk s GLY 58 CO -0.03 -0.24 1.20 -0.09 0.00 0.00 0.00 173.10 173.94 1klk h ARG 59 N -2.06 0.65 0.00 2.90 2.43 -1.92 -2.56 114.38 113.82 1klk h ARG 59 Ca -0.45 -0.64 -0.10 0.00 -0.81 0.00 0.00 59.98 57.98 1klk h ARG 59 Cb 1.27 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.97 1klk h ARG 59 CO 0.37 1.24 -0.48 0.87 -1.51 0.00 0.00 179.97 180.47 1klk h LYS 60 N 0.31 0.00 0.00 0.20 1.57 -1.94 -1.82 116.57 114.89 1klk h LYS 60 Ca -0.09 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 1klk h LYS 60 Cb 1.50 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.80 1klk h LYS 60 CO 0.17 0.48 -0.40 1.15 -0.57 0.00 0.00 179.45 180.27 1klk h THR 61 N 0.00 0.80 0.04 -0.16 2.02 -1.89 -2.94 112.91 110.79 1klk h THR 61 Ca -0.00 -1.77 -0.26 0.00 0.77 0.00 0.00 66.41 65.14 1klk h THR 61 Cb 0.85 2.13 -0.03 0.00 -1.74 0.00 0.00 68.15 69.36 1klk h THR 61 CO 0.06 0.40 -1.37 -0.25 0.37 0.00 0.00 175.52 174.73 1klk h TRP 62 N 0.00 0.16 0.00 3.16 2.91 -1.01 -3.30 115.95 117.87 1klk h TRP 62 Ca -0.00 -0.11 0.00 0.00 1.13 0.00 0.00 58.89 59.90 1klk h TRP 62 Cb 1.10 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.74 1klk h TRP 62 CO 0.00 1.13 0.00 0.93 -1.03 0.00 0.00 178.44 179.47 1klk h GLU 63 N 0.02 0.00 -0.00 2.65 5.08 -1.37 -3.22 114.58 117.74 1klk h GLU 63 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1klk h GLU 63 Cb 1.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.17 1klk h GLU 63 CO 0.13 0.00 -0.24 0.43 -1.00 0.00 0.00 179.01 178.33 1klk n SER 64 N -2.81 0.50 -4.60 1.42 7.64 -1.11 -4.78 113.62 109.88 1klk n SER 64 Ca 0.04 -0.34 -0.41 0.00 1.01 0.00 0.00 58.87 59.17 1klk n SER 64 Cb 0.45 -0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.58 1klk n SER 64 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1klk s ILE 65 N -2.74 4.90 0.12 0.44 1.01 -1.22 -5.01 121.20 118.72 1klk s ILE 65 Ca 0.20 0.88 -0.35 0.00 0.00 0.00 0.00 60.65 61.38 1klk s ILE 65 Cb 0.19 -4.04 -0.15 0.00 0.01 0.00 0.00 42.46 38.47 1klk s ILE 65 CO 0.56 -0.18 1.46 -0.81 0.00 0.00 0.00 174.94 175.97 1klk n PRO 66 N 5.96 1.65 0.10 2.79 -0.04 -1.26 -4.56 135.00 139.64 1klk n PRO 66 Ca -0.00 0.59 0.16 0.00 -0.04 0.00 0.00 63.50 64.21 1klk n PRO 66 Cb 0.49 -2.30 0.41 0.00 -0.04 0.00 0.00 33.50 32.06 1klk n PRO 66 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1klk h LEU 67 N 5.22 0.00 -0.59 1.53 3.38 -1.95 1.60 115.31 124.49 1klk h LEU 67 Ca -0.46 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 1klk h LEU 67 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1klk h LEU 67 CO 0.83 0.00 -0.28 -0.61 0.09 0.00 0.00 178.44 178.47 1klk h GLN 68 N 0.00 0.00 0.00 1.13 4.15 -2.03 -3.38 115.11 114.98 1klk h GLN 68 Ca 0.20 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.62 1klk h GLN 68 Cb 1.95 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.64 1klk h GLN 68 CO -0.00 0.28 -0.02 1.19 -1.93 0.00 0.00 178.83 178.35 1klk n PHE 69 N -3.28 0.03 -1.74 3.99 3.01 0.54 -4.96 117.46 115.05 1klk n PHE 69 Ca 0.01 0.01 -0.37 0.00 1.01 0.00 0.00 57.45 58.12 1klk n PHE 69 Cb 0.54 -0.25 0.07 0.00 -0.01 0.00 0.00 39.48 39.83 1klk n PHE 69 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 1klk s ARG 70 N -1.05 2.56 0.39 -1.08 1.70 -1.09 -4.41 118.95 115.97 1klk s ARG 70 Ca -0.01 2.08 -0.22 0.00 -0.47 0.00 0.00 55.73 57.11 1klk s ARG 70 Cb 0.00 -1.85 -0.11 0.00 -0.57 0.00 0.00 34.95 32.42 1klk s ARG 70 CO 0.01 -1.59 0.93 -1.25 -1.08 0.00 0.00 175.30 172.32 1klk s PRO 71 N -3.37 4.33 -0.15 3.89 0.04 -1.26 -4.77 135.00 133.71 1klk s PRO 71 Ca 0.82 1.16 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 1klk s PRO 71 Cb -0.38 -2.39 -0.06 0.00 0.04 0.00 0.00 34.50 31.71 1klk s PRO 71 CO 0.40 0.08 2.14 -0.51 0.04 0.00 0.00 177.00 179.15 1klk s LEU 72 N -2.81 3.73 0.75 -3.56 1.43 -1.26 -4.92 118.68 112.05 1klk s LEU 72 Ca 0.58 2.11 -0.13 0.00 -1.03 0.00 0.00 54.13 55.66 1klk s LEU 72 Cb -0.12 -3.52 0.05 0.00 0.03 0.00 0.00 46.19 42.63 1klk s LEU 72 CO 0.17 -1.70 1.14 -0.54 0.23 0.00 0.00 176.35 175.65 1klk s LYS 73 N 5.80 2.19 0.00 1.70 1.02 -1.26 -3.33 119.74 125.86 1klk s LYS 73 Ca 0.97 1.47 0.00 0.00 0.02 0.00 0.00 55.97 58.43 1klk s LYS 73 Cb -0.36 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 1klk s LYS 73 CO 0.37 -1.74 0.00 0.41 -0.92 0.00 0.00 175.35 173.47 1klk n GLY 74 N -0.31 0.40 3.18 -3.33 0.00 -1.26 -4.94 105.19 98.93 1klk n GLY 74 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 1klk n GLY 74 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1klk s ARG 75 N -0.64 0.85 -0.31 1.61 0.52 -1.21 -4.52 118.95 115.26 1klk s ARG 75 Ca 0.00 -1.06 -0.25 0.00 -0.52 0.00 0.00 55.73 53.91 1klk s ARG 75 Cb 0.00 -0.74 0.00 0.00 0.52 0.00 0.00 34.95 34.73 1klk s ARG 75 CO 0.00 0.15 0.85 0.42 0.02 0.00 0.00 175.30 176.74 1klk s ILE 76 N -1.76 4.74 -0.20 1.52 1.01 0.60 -4.86 121.20 122.25 1klk s ILE 76 Ca 0.02 1.32 -0.12 0.00 0.00 0.00 0.00 60.65 61.86 1klk s ILE 76 Cb -0.07 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 1klk s ILE 76 CO 0.02 -0.29 0.24 0.20 0.00 0.00 0.00 174.94 175.11 1klk s ASN 77 N 1.61 6.29 -0.06 3.58 0.02 -1.26 -1.50 114.94 123.62 1klk s ASN 77 Ca 0.35 0.33 0.02 0.00 -1.02 0.00 0.00 52.86 52.54 1klk s ASN 77 Cb -0.14 -2.15 0.02 0.00 0.02 0.00 0.00 41.25 39.00 1klk s ASN 77 CO 0.13 0.07 -0.09 -0.69 0.02 0.00 0.00 177.10 176.54 1klk s VAL 78 N 0.78 0.87 -0.19 1.60 1.01 -1.03 -3.10 120.40 120.34 1klk s VAL 78 Ca 0.12 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 1klk s VAL 78 Cb -0.13 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 1klk s VAL 78 CO 0.03 0.30 0.03 -0.69 0.00 0.00 0.00 175.10 174.78 1klk s VAL 79 N 0.84 4.37 -0.11 2.92 1.01 -0.60 -1.88 120.40 126.96 1klk s VAL 79 Ca -0.12 -0.18 -0.15 0.00 0.00 0.00 0.00 61.98 61.54 1klk s VAL 79 Cb -0.15 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 1klk s VAL 79 CO 0.01 0.44 0.37 -0.63 0.00 0.00 0.00 175.10 175.29 1klk s ILE 80 N 0.70 5.21 -0.20 2.22 -1.09 -0.14 -2.33 121.20 125.58 1klk s ILE 80 Ca 0.02 0.72 -0.16 0.00 -2.23 0.00 0.00 60.65 58.99 1klk s ILE 80 Cb -0.14 -3.69 0.06 0.00 -1.58 0.00 0.00 42.46 37.11 1klk s ILE 80 CO 0.02 0.43 0.52 0.28 -1.23 0.00 0.00 174.94 174.96 1klk s THR 81 N 0.05 -0.01 -0.28 2.92 -1.32 -0.79 -3.17 115.64 113.04 1klk s THR 81 Ca 0.21 0.02 -0.00 0.00 -1.21 0.00 0.00 61.69 60.71 1klk s THR 81 Cb -0.14 -0.73 0.23 0.00 -1.51 0.00 0.00 72.50 70.34 1klk s THR 81 CO 0.08 0.01 1.87 0.54 -2.21 0.00 0.00 174.62 174.91 1klk n ARG 82 N 3.25 1.73 -3.66 7.08 1.74 -1.26 -4.18 116.66 121.37 1klk n ARG 82 Ca -0.16 -1.48 -0.07 0.00 -0.77 0.00 0.00 57.85 55.37 1klk n ARG 82 Cb 0.56 -1.58 -0.08 0.00 -1.02 0.00 0.00 32.46 30.35 1klk n ARG 82 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1klk s ASN 83 N 0.16 -0.81 -1.34 0.55 2.47 -1.26 -5.07 114.94 109.64 1klk s ASN 83 Ca 0.29 1.33 -0.14 0.00 0.42 0.00 0.00 52.86 54.76 1klk s ASN 83 Cb 0.23 1.42 0.10 0.00 -1.45 0.00 0.00 41.25 41.56 1klk s ASN 83 CO 0.01 -0.22 1.90 -0.62 -3.72 0.00 0.00 177.10 174.45 1klk n GLU 84 N 4.64 3.22 -4.04 0.43 4.71 -1.26 -4.95 120.64 123.39 1klk n GLU 84 Ca -0.18 -3.20 -0.24 0.00 -0.01 0.00 0.00 57.16 53.54 1klk n GLU 84 Cb 0.55 -3.20 -0.07 0.00 -1.01 0.00 0.00 31.44 27.72 1klk n GLU 84 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1klk s SER 85 N 2.72 4.55 -0.13 1.62 1.04 -1.26 -5.08 113.70 117.16 1klk s SER 85 Ca 0.46 -0.98 -0.29 0.00 0.48 0.00 0.00 55.95 55.62 1klk s SER 85 Cb 0.08 -0.53 -0.05 0.00 0.10 0.00 0.00 66.02 65.62 1klk s SER 85 CO -0.01 -0.52 1.88 -0.76 0.98 0.00 0.00 173.24 174.81 1klk s LEU 86 N -3.93 3.96 -0.13 2.42 1.43 -1.26 -4.90 118.68 116.28 1klk s LEU 86 Ca 0.42 2.04 0.05 0.00 -1.03 0.00 0.00 54.13 55.60 1klk s LEU 86 Cb 0.02 -3.53 -0.24 0.00 0.03 0.00 0.00 46.19 42.48 1klk s LEU 86 CO 0.23 -1.36 0.34 0.47 0.23 0.00 0.00 176.35 176.25 1klk n ASP 87 N 8.96 1.38 -3.20 2.29 10.43 -1.26 -5.04 116.55 130.11 1klk n ASP 87 Ca 0.22 0.20 -0.06 0.00 2.57 0.00 0.00 54.79 57.71 1klk n ASP 87 Cb 0.44 -0.26 0.01 0.00 1.84 0.00 0.00 41.12 43.15 1klk n ASP 87 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 1klk n LEU 88 N -3.20 -5.92 -4.64 0.64 -0.00 -1.26 -5.03 117.00 97.59 1klk n LEU 88 Ca -0.29 -0.31 -0.30 0.00 -0.00 0.00 0.00 56.01 55.11 1klk n LEU 88 Cb 1.06 -3.08 -0.08 0.00 -0.00 0.00 0.00 43.42 41.32 1klk n LEU 88 CO 0.41 -0.70 -0.21 -0.83 -0.00 0.00 0.00 177.39 176.06 1klk s GLY 89 N -3.08 2.88 -0.02 -3.96 0.00 -1.26 -4.98 107.32 96.89 1klk s GLY 89 Ca 0.10 -0.71 0.04 0.00 0.00 0.00 0.00 44.72 44.15 1klk s GLY 89 CO 0.77 -2.00 0.99 0.70 0.00 0.00 0.00 173.10 173.56 1klk n ASN 90 N -1.38 1.18 0.00 1.64 4.13 -1.26 -4.42 115.26 115.16 1klk n ASN 90 Ca -0.13 -2.06 0.00 0.00 1.68 0.00 0.00 54.58 54.07 1klk n ASN 90 Cb 0.66 -0.25 0.00 0.00 -1.54 0.00 0.00 39.78 38.65 1klk n ASN 90 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1klk n GLY 91 N 0.53 0.37 3.55 7.41 0.00 -1.26 -5.09 105.19 110.70 1klk n GLY 91 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1klk n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1klk s ILE 92 N -0.37 3.36 0.71 -0.61 -1.09 -1.26 -4.92 121.20 117.02 1klk s ILE 92 Ca 0.00 0.08 -0.14 0.00 -2.23 0.00 0.00 60.65 58.36 1klk s ILE 92 Cb 0.00 -3.91 0.03 0.00 -1.58 0.00 0.00 42.46 37.00 1klk s ILE 92 CO 0.00 -0.88 1.14 -1.00 -1.23 0.00 0.00 174.94 172.97 1klk s HIS 93 N 9.46 2.38 -0.17 3.97 3.76 -1.18 -4.81 115.29 128.70 1klk s HIS 93 Ca 0.69 1.58 -0.16 0.00 -0.15 0.00 0.00 55.06 57.03 1klk s HIS 93 Cb -0.12 -3.26 0.04 0.00 1.11 0.00 0.00 32.58 30.36 1klk s HIS 93 CO 0.16 -2.05 0.45 -1.54 -0.85 0.00 0.00 174.74 170.92 1klk s SER 94 N -2.51 -0.47 0.06 1.40 1.04 -1.26 -1.56 113.70 110.40 1klk s SER 94 Ca 0.68 0.91 0.00 0.00 0.48 0.00 0.00 55.95 58.03 1klk s SER 94 Cb -0.23 0.92 -0.04 0.00 0.10 0.00 0.00 66.02 66.78 1klk s SER 94 CO 0.45 -0.16 -0.05 0.00 0.98 0.00 0.00 173.24 174.47 1klk s ALA 95 N 0.25 0.62 0.30 5.32 0.00 -0.98 -4.95 121.76 122.32 1klk s ALA 95 Ca -0.00 -1.11 0.36 0.00 0.00 0.00 0.00 51.96 51.21 1klk s ALA 95 Cb -0.03 0.19 1.69 0.00 0.00 0.00 0.00 23.12 24.96 1klk s ALA 95 CO 0.00 -0.25 2.11 0.87 0.00 0.00 0.00 175.76 178.49 1klk h LYS 96 N 3.47 0.00 0.00 0.00 1.79 -1.90 -2.11 116.57 117.82 1klk h LYS 96 Ca -0.34 0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.27 1klk h LYS 96 Cb 1.17 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.79 1klk h LYS 96 CO 0.59 0.02 0.51 -1.13 -1.08 0.00 0.00 179.45 178.36 1klk n SER 97 N -3.15 -1.41 -0.08 0.86 3.41 -1.26 -4.59 113.62 107.40 1klk n SER 97 Ca -0.01 -1.71 -0.09 0.00 -0.26 0.00 0.00 58.87 56.80 1klk n SER 97 Cb 0.23 2.28 -0.02 0.00 -0.26 0.00 0.00 64.21 66.44 1klk n SER 97 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1klk h LEU 98 N 0.00 0.31 -1.06 1.04 3.38 -1.98 0.02 115.31 117.01 1klk h LEU 98 Ca -0.22 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 1klk h LEU 98 Cb 0.99 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1klk h LEU 98 CO 0.30 0.22 -0.04 0.44 0.09 0.00 0.00 178.44 179.45 1klk h ASP 99 N 0.37 0.60 -0.12 -0.43 3.45 -1.99 -1.48 116.42 116.81 1klk h ASP 99 Ca 0.10 -0.14 -0.12 0.00 0.43 0.00 0.00 57.03 57.31 1klk h ASP 99 Cb -0.03 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 38.58 1klk h ASP 99 CO -0.03 0.69 -0.39 0.45 -1.57 0.00 0.00 179.24 178.39 1klk h HIS 100 N 0.59 0.63 -0.58 4.55 3.86 -1.88 -2.76 115.15 119.56 1klk h HIS 100 Ca 0.12 -0.25 0.10 0.00 -1.16 0.00 0.00 60.37 59.17 1klk h HIS 100 Cb 0.43 -0.11 -0.08 0.00 1.06 0.00 0.00 27.41 28.72 1klk h HIS 100 CO 0.02 1.00 0.17 0.00 0.86 0.00 0.00 177.93 179.98 1klk h ALA 101 N 0.50 0.72 -0.29 2.45 0.00 -0.78 0.12 119.26 121.98 1klk h ALA 101 Ca -0.01 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1klk h ALA 101 Cb 1.02 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1klk h ALA 101 CO 0.08 -0.25 0.09 -0.07 0.00 0.00 0.00 179.25 179.10 1klk h LEU 102 N 0.33 0.37 -0.59 0.00 3.38 -1.27 -1.72 115.31 115.82 1klk h LEU 102 Ca 0.30 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 58.07 1klk h LEU 102 Cb 0.40 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1klk h LEU 102 CO -0.34 0.37 -0.62 -0.08 0.09 0.00 0.00 178.44 177.86 1klk h GLU 103 N 0.41 0.31 -0.39 1.13 4.22 -0.74 -2.02 114.58 117.50 1klk h GLU 103 Ca 0.10 -0.22 -0.12 0.00 0.08 0.00 0.00 59.36 59.21 1klk h GLU 103 Cb 0.14 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1klk h GLU 103 CO -0.01 0.83 -0.22 1.25 -2.18 0.00 0.00 179.01 178.69 1klk h LEU 104 N 0.23 0.87 0.68 1.64 7.12 -0.59 -2.16 115.31 123.09 1klk h LEU 104 Ca -0.01 -0.41 -0.03 0.00 0.13 0.00 0.00 57.88 57.55 1klk h LEU 104 Cb 1.15 -0.24 0.01 0.00 -0.53 0.00 0.00 40.66 41.04 1klk h LEU 104 CO 0.10 1.10 -0.32 -0.07 -0.13 0.00 0.00 178.44 179.11 1klk h LEU 105 N 0.65 -0.77 -1.04 2.25 3.38 -1.23 0.27 115.31 118.82 1klk h LEU 105 Ca 0.08 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.12 1klk h LEU 105 Cb 0.78 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.66 1klk h LEU 105 CO 0.06 -0.46 0.64 1.88 0.09 0.00 0.00 178.44 180.65 1klk h TYR 106 N -1.06 1.17 0.02 1.13 0.05 -1.41 1.29 116.97 118.15 1klk h TYR 106 Ca -0.09 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.72 1klk h TYR 106 Cb 0.73 -0.38 0.00 0.00 1.01 0.00 0.00 36.73 38.09 1klk h TYR 106 CO -0.01 0.60 -0.01 -0.09 -1.05 0.00 0.00 178.16 177.60 1klk h ARG 107 N 1.14 -0.03 -0.45 4.88 2.43 -1.36 -3.32 114.38 117.67 1klk h ARG 107 Ca 0.43 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.50 1klk h ARG 107 Cb 0.19 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1klk h ARG 107 CO -0.17 0.52 -0.11 1.15 -1.51 0.00 0.00 179.97 179.85 1klk h THR 108 N -0.59 1.27 -3.61 0.20 2.02 -0.08 -3.42 112.91 108.71 1klk h THR 108 Ca -0.00 -1.22 -0.68 0.00 0.77 0.00 0.00 66.41 65.27 1klk h THR 108 Cb 0.55 1.14 -0.30 0.00 -1.74 0.00 0.00 68.15 67.81 1klk h THR 108 CO 0.00 0.42 -0.67 -0.31 0.37 0.00 0.00 175.52 175.33 1klk s TYR 109 N -4.80 3.16 0.00 3.16 2.02 0.44 -4.77 117.35 116.56 1klk s TYR 109 Ca -0.12 -1.40 0.00 0.00 -0.37 0.00 0.00 57.07 55.18 1klk s TYR 109 Cb 0.11 -2.17 0.00 0.00 -0.40 0.00 0.00 41.96 39.50 1klk s TYR 109 CO 0.83 -0.69 0.00 0.41 -1.57 0.00 0.00 175.55 174.53 1klk n GLY 110 N 4.75 1.44 0.12 0.71 0.00 -1.26 -4.27 105.19 106.67 1klk n GLY 110 Ca -0.15 0.35 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 1klk n GLY 110 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1klk h SER 111 N 0.00 0.37 0.00 1.61 4.64 -1.94 -3.11 113.55 115.12 1klk h SER 111 Ca 0.00 -0.71 0.00 0.00 -0.47 0.00 0.00 61.79 60.61 1klk h SER 111 Cb 0.00 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1klk h SER 111 CO 0.00 1.03 0.00 -1.84 -0.87 0.00 0.00 176.83 175.15 1klk n GLU 112 N -4.41 0.85 -4.49 4.77 -0.00 -1.26 -4.71 120.64 111.39 1klk n GLU 112 Ca -0.09 0.00 -0.32 0.00 -0.00 0.00 0.00 57.16 56.75 1klk n GLU 112 Cb 0.54 -1.15 -0.11 0.00 -0.00 0.00 0.00 31.44 30.72 1klk n GLU 112 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1klk s SER 113 N -0.80 4.47 -0.01 -1.84 0.15 -1.18 -4.97 113.70 109.52 1klk s SER 113 Ca 0.00 -0.20 0.20 0.00 0.70 0.00 0.00 55.95 56.65 1klk s SER 113 Cb 0.00 -0.99 0.61 0.00 -1.71 0.00 0.00 66.02 63.93 1klk s SER 113 CO 0.00 0.27 1.51 -1.20 1.20 0.00 0.00 173.24 175.02 1klk n SER 114 N 1.53 3.71 -3.86 5.45 7.64 -1.26 -4.79 113.62 122.03 1klk n SER 114 Ca -0.15 -2.04 -0.24 0.00 1.01 0.00 0.00 58.87 57.44 1klk n SER 114 Cb 0.52 -0.46 -0.17 0.00 -1.01 0.00 0.00 64.21 63.09 1klk n SER 114 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1klk s VAL 115 N -1.18 0.72 -0.11 0.44 1.01 -1.26 -4.81 120.40 115.21 1klk s VAL 115 Ca 0.45 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 1klk s VAL 115 Cb 0.24 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 1klk s VAL 115 CO 0.30 0.31 -0.04 -1.10 0.00 0.00 0.00 175.10 174.56 1klk s GLN 116 N 1.62 3.18 -0.18 2.72 -1.52 -0.15 -4.26 119.66 121.06 1klk s GLN 116 Ca 0.01 -0.51 -0.29 0.00 -1.95 0.00 0.00 55.36 52.62 1klk s GLN 116 Cb -0.13 -2.76 -0.01 0.00 -0.22 0.00 0.00 33.01 29.89 1klk s GLN 116 CO -0.05 0.49 1.28 0.42 -0.25 0.00 0.00 175.29 177.18 1klk s ILE 117 N -0.33 4.25 0.00 1.08 -1.09 -1.26 -0.34 121.20 123.51 1klk s ILE 117 Ca 0.05 1.49 0.00 0.00 -2.23 0.00 0.00 60.65 59.97 1klk s ILE 117 Cb -0.12 -4.01 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 1klk s ILE 117 CO 0.02 -0.18 0.00 -3.20 -1.23 0.00 0.00 174.94 170.35 1klk n ASN 118 N 6.78 0.00 -4.74 3.58 4.05 0.33 -4.84 115.26 120.42 1klk n ASN 118 Ca 0.14 0.00 -0.31 0.00 0.45 0.00 0.00 54.58 54.86 1klk n ASN 118 Cb 0.45 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.39 1klk n ASN 118 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1klk s ARG 119 N 0.06 2.80 -0.20 1.20 0.52 -1.26 -4.99 118.95 117.09 1klk s ARG 119 Ca 0.00 -0.70 -0.02 0.00 -0.52 0.00 0.00 55.73 54.49 1klk s ARG 119 Cb 0.00 -2.69 -0.00 0.00 0.52 0.00 0.00 34.95 32.78 1klk s ARG 119 CO 0.00 0.57 -0.09 0.42 0.02 0.00 0.00 175.30 176.22 1klk s ILE 120 N -1.31 3.02 -0.12 1.52 1.01 -1.26 -1.20 121.20 122.86 1klk s ILE 120 Ca 0.27 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 1klk s ILE 120 Cb -0.12 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 1klk s ILE 120 CO 0.19 0.47 -0.09 -0.36 0.00 0.00 0.00 174.94 175.15 1klk s PHE 121 N 1.25 2.90 -0.61 3.97 0.08 0.23 -1.12 117.98 124.68 1klk s PHE 121 Ca 0.03 -0.32 -0.16 0.00 0.12 0.00 0.00 56.93 56.60 1klk s PHE 121 Cb -0.14 -1.83 0.14 0.00 -0.57 0.00 0.00 43.02 40.62 1klk s PHE 121 CO -0.04 0.02 0.61 0.08 -0.10 0.00 0.00 175.22 175.79 1klk s VAL 122 N -0.04 5.17 -1.44 -0.44 1.01 0.15 0.12 120.40 124.93 1klk s VAL 122 Ca -0.01 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.44 1klk s VAL 122 Cb -0.14 -4.41 0.02 0.00 0.00 0.00 0.00 36.38 31.85 1klk s VAL 122 CO 0.03 -0.97 0.75 2.30 0.00 0.00 0.00 175.10 177.21 1klk n ILE 123 N 5.12 0.05 0.00 2.22 -5.35 0.39 -2.70 119.36 119.09 1klk n ILE 123 Ca -0.08 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 1klk n ILE 123 Cb 0.42 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 1klk n ILE 123 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1klk n GLY 124 N 0.25 1.77 0.00 3.28 0.00 -1.26 -4.94 105.19 104.29 1klk n GLY 124 Ca 0.01 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1klk n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1klk n GLY 125 N -0.17 3.18 0.37 -0.02 0.00 -1.26 -2.59 105.19 104.71 1klk n GLY 125 Ca 0.00 -1.14 -0.03 0.00 0.00 0.00 0.00 46.02 44.85 1klk n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1klk h ALA 126 N 0.00 0.08 -0.71 4.61 0.00 -1.99 0.25 119.26 121.49 1klk h ALA 126 Ca 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1klk h ALA 126 Cb 0.00 0.95 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1klk h ALA 126 CO 0.00 -0.65 0.40 1.96 0.00 0.00 0.00 179.25 180.96 1klk h GLN 127 N -0.05 0.98 0.00 0.00 4.20 -1.93 -1.73 115.11 116.58 1klk h GLN 127 Ca 0.31 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 1klk h GLN 127 Cb 0.58 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1klk h GLN 127 CO -0.89 0.71 -0.08 1.25 -0.67 0.00 0.00 178.83 179.15 1klk h LEU 128 N 0.99 0.00 0.16 1.46 5.85 -1.16 -3.06 115.31 119.55 1klk h LEU 128 Ca 0.25 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 1klk h LEU 128 Cb 0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1klk h LEU 128 CO -0.04 0.08 -0.08 1.88 -0.34 0.00 0.00 178.44 179.94 1klk h TYR 129 N 0.00 -0.20 -0.88 1.25 0.05 0.25 -2.06 116.97 115.38 1klk h TYR 129 Ca -0.00 -0.00 0.14 0.00 0.05 0.00 0.00 58.73 58.92 1klk h TYR 129 Cb 0.90 0.07 -0.07 0.00 1.01 0.00 0.00 36.73 38.63 1klk h TYR 129 CO 0.00 0.21 0.57 -0.22 -1.05 0.00 0.00 178.16 177.67 1klk h LYS 130 N -0.70 0.67 -0.46 4.88 1.63 -1.45 0.28 116.57 121.42 1klk h LYS 130 Ca -0.02 -0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 59.62 1klk h LYS 130 Cb 0.50 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 1klk h LYS 130 CO 0.04 0.44 -0.17 0.00 -3.45 0.00 0.00 179.45 176.31 1klk h ALA 131 N 1.60 0.64 -0.10 5.00 0.00 -1.49 -1.81 119.26 123.09 1klk h ALA 131 Ca 0.44 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1klk h ALA 131 Cb 0.71 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1klk h ALA 131 CO -0.20 0.59 -0.40 0.00 0.00 0.00 0.00 179.25 179.23 1klk h ALA 132 N 0.86 1.15 0.00 0.00 0.00 -0.29 -2.28 119.26 118.69 1klk h ALA 132 Ca 0.11 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1klk h ALA 132 Cb 0.74 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1klk h ALA 132 CO 0.06 0.57 -0.57 0.52 0.00 0.00 0.00 179.25 179.83 1klk h MET 133 N 0.18 0.00 0.00 0.00 2.07 -0.24 -2.92 114.93 114.02 1klk h MET 133 Ca 0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.65 1klk h MET 133 Cb 0.79 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.52 1klk h MET 133 CO 0.06 0.57 -0.30 -0.25 1.07 0.00 0.00 176.91 178.06 1klk n ASP 134 N -3.72 0.50 -4.72 1.22 8.00 -0.71 -4.88 116.55 112.24 1klk n ASP 134 Ca -0.01 0.22 -0.41 0.00 0.71 0.00 0.00 54.79 55.30 1klk n ASP 134 Cb 0.60 -0.19 -0.04 0.00 -0.02 0.00 0.00 41.12 41.48 1klk n ASP 134 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1klk s HIS 135 N -3.07 3.58 -1.90 1.24 2.46 -0.88 -4.92 115.29 111.80 1klk s HIS 135 Ca 0.10 1.55 0.12 0.00 0.47 0.00 0.00 55.06 57.30 1klk s HIS 135 Cb 0.16 -3.27 0.72 0.00 -0.13 0.00 0.00 32.58 30.06 1klk s HIS 135 CO 0.64 -0.61 1.19 -0.35 -2.47 0.00 0.00 174.74 173.14 1klk n PRO 136 N 3.20 0.35 -0.01 2.88 -0.04 -1.26 -2.83 135.00 137.29 1klk n PRO 136 Ca 0.05 0.03 0.08 0.00 -0.04 0.00 0.00 63.50 63.62 1klk n PRO 136 Cb 0.47 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.32 1klk n PRO 136 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1klk n LYS 137 N -1.05 0.78 -2.00 0.54 4.76 -1.26 -4.95 118.16 114.98 1klk n LYS 137 Ca 0.09 -0.11 -0.41 0.00 -2.87 0.00 0.00 58.31 55.00 1klk n LYS 137 Cb 0.05 -1.34 -0.02 0.00 -1.84 0.00 0.00 35.03 31.89 1klk n LYS 137 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1klk s LEU 138 N -3.81 4.39 0.00 -0.35 0.20 -1.13 -2.56 118.68 115.43 1klk s LEU 138 Ca -0.03 2.77 0.00 0.00 0.69 0.00 0.00 54.13 57.55 1klk s LEU 138 Cb 0.10 -3.64 0.00 0.00 -0.43 0.00 0.00 46.19 42.22 1klk s LEU 138 CO 0.64 -0.68 0.00 -0.90 -0.29 0.00 0.00 176.35 175.12 1klk n ASP 139 N 1.37 0.00 -4.12 3.68 5.75 -1.11 -4.90 116.55 117.21 1klk n ASP 139 Ca 0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 54.62 1klk n ASP 139 Cb 0.40 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.36 1klk n ASP 139 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1klk s ARG 140 N 0.00 0.88 -0.23 0.11 3.52 -1.24 -1.75 118.95 120.24 1klk s ARG 140 Ca 0.00 -0.70 -0.03 0.00 -0.13 0.00 0.00 55.73 54.88 1klk s ARG 140 Cb 0.00 -0.87 0.07 0.00 -1.56 0.00 0.00 34.95 32.60 1klk s ARG 140 CO 0.00 0.22 0.07 0.42 -0.81 0.00 0.00 175.30 175.19 1klk s ILE 141 N -0.80 0.44 -0.42 4.11 1.01 -0.46 -1.37 121.20 123.71 1klk s ILE 141 Ca 0.01 -0.71 -0.23 0.00 0.00 0.00 0.00 60.65 59.72 1klk s ILE 141 Cb -0.07 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.32 1klk s ILE 141 CO 0.01 -0.39 0.79 -0.04 0.00 0.00 0.00 174.94 175.31 1klk s MET 142 N 1.88 3.53 0.01 2.79 -1.94 0.18 -1.63 119.30 124.12 1klk s MET 142 Ca 0.03 0.05 0.07 0.00 -1.71 0.00 0.00 55.69 54.14 1klk s MET 142 Cb -0.17 -3.89 -0.03 0.00 2.01 0.00 0.00 34.83 32.75 1klk s MET 142 CO -0.16 -1.03 -0.22 0.00 -0.01 0.00 0.00 175.02 173.60 1klk s ALA 143 N 3.26 2.38 -0.21 3.03 0.00 0.16 -0.95 121.76 129.43 1klk s ALA 143 Ca 0.31 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1klk s ALA 143 Cb -0.12 -0.65 0.03 0.00 0.00 0.00 0.00 23.12 22.38 1klk s ALA 143 CO 0.21 0.55 -0.15 0.99 0.00 0.00 0.00 175.76 177.35 1klk s THR 144 N -0.76 2.25 -0.30 0.00 2.01 -0.15 -0.24 115.64 118.45 1klk s THR 144 Ca 0.12 -1.12 -0.13 0.00 0.31 0.00 0.00 61.69 60.87 1klk s THR 144 Cb -0.10 -2.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.29 1klk s THR 144 CO 0.02 0.34 0.29 -0.63 -0.69 0.00 0.00 174.62 173.95 1klk s ILE 145 N 1.25 5.23 -0.30 1.82 -1.09 -0.78 -0.68 121.20 126.65 1klk s ILE 145 Ca 0.01 0.22 -0.20 0.00 -2.23 0.00 0.00 60.65 58.45 1klk s ILE 145 Cb -0.15 -3.67 -0.01 0.00 -1.58 0.00 0.00 42.46 37.04 1klk s ILE 145 CO -0.09 0.11 0.60 -0.63 -1.23 0.00 0.00 174.94 173.70 1klk s ILE 146 N 1.92 4.96 -0.18 2.92 1.09 -0.05 -2.85 121.20 129.01 1klk s ILE 146 Ca 0.11 0.80 -0.04 0.00 -1.10 0.00 0.00 60.65 60.42 1klk s ILE 146 Cb -0.16 -3.97 -0.06 0.00 -1.06 0.00 0.00 42.46 37.20 1klk s ILE 146 CO 0.11 -0.12 2.91 -1.22 -0.10 0.00 0.00 174.94 176.52 1klk n TYR 147 N 5.82 0.70 -3.54 3.97 4.01 0.57 -2.52 117.16 126.18 1klk n TYR 147 Ca -0.02 -1.62 -0.14 0.00 -0.16 0.00 0.00 57.90 55.95 1klk n TYR 147 Cb 0.49 -1.28 -0.12 0.00 -0.31 0.00 0.00 39.34 38.12 1klk n TYR 147 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1klk s LYS 148 N -0.36 0.20 -0.88 -0.72 2.20 -1.26 -4.76 119.74 114.16 1klk s LYS 148 Ca 0.50 0.50 -0.24 0.00 -0.36 0.00 0.00 55.97 56.36 1klk s LYS 148 Cb 0.28 -0.58 -0.17 0.00 -1.51 0.00 0.00 37.83 35.85 1klk s LYS 148 CO -0.07 -0.50 1.91 -3.47 -0.36 0.00 0.00 175.35 172.86 1klk n ASP 149 N 5.34 2.38 -4.79 1.43 -0.08 -1.26 -4.59 116.55 114.98 1klk n ASP 149 Ca -0.05 -2.64 -0.33 0.00 -1.51 0.00 0.00 54.79 50.25 1klk n ASP 149 Cb 0.50 -1.37 0.01 0.00 2.34 0.00 0.00 41.12 42.60 1klk n ASP 149 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1klk s ILE 150 N 9.43 3.50 -0.35 5.18 1.01 -1.26 -4.97 121.20 133.73 1klk s ILE 150 Ca 0.67 0.78 -0.27 0.00 0.00 0.00 0.00 60.65 61.83 1klk s ILE 150 Cb 0.06 -3.29 0.02 0.00 0.01 0.00 0.00 42.46 39.26 1klk s ILE 150 CO 0.17 -0.35 0.98 -2.28 0.00 0.00 0.00 174.94 173.46 1klk s HIS 151 N -2.20 3.09 0.27 3.97 2.46 -1.26 -4.92 115.29 116.69 1klk s HIS 151 Ca 0.67 0.92 0.01 0.00 0.47 0.00 0.00 55.06 57.12 1klk s HIS 151 Cb -0.19 -3.68 -0.00 0.00 -0.13 0.00 0.00 32.58 28.57 1klk s HIS 151 CO 0.34 -0.82 0.02 0.00 -2.47 0.00 0.00 174.74 171.81 1klk n ASP 153 N -1.34 -0.00 -3.75 0.00 3.85 -0.05 -4.94 116.55 110.32 1klk n ASP 153 Ca -0.09 -1.53 -0.13 0.00 -0.71 0.00 0.00 54.79 52.33 1klk n ASP 153 Cb 0.35 -0.09 -0.14 0.00 -1.35 0.00 0.00 41.12 39.89 1klk n ASP 153 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1klk s VAL 154 N 0.00 -0.04 0.08 2.12 1.01 -0.97 -4.93 120.40 117.67 1klk s VAL 154 Ca 0.01 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1klk s VAL 154 Cb 0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 1klk s VAL 154 CO -0.01 0.06 -0.09 -0.36 0.00 0.00 0.00 175.10 174.71 1klk s PHE 155 N 1.08 0.91 0.15 5.22 0.40 -1.26 -0.88 117.98 123.61 1klk s PHE 155 Ca -0.08 -0.67 -0.30 0.00 -0.60 0.00 0.00 56.93 55.27 1klk s PHE 155 Cb -0.10 -0.52 -0.08 0.00 0.51 0.00 0.00 43.02 42.83 1klk s PHE 155 CO -0.06 -0.06 1.31 0.12 0.70 0.00 0.00 175.22 177.23 1klk s PHE 156 N -2.39 3.30 0.09 0.36 5.36 -0.38 -4.82 117.98 119.50 1klk s PHE 156 Ca 0.02 1.17 -0.24 0.00 -0.96 0.00 0.00 56.93 56.92 1klk s PHE 156 Cb -0.03 -3.58 -0.14 0.00 -0.34 0.00 0.00 43.02 38.93 1klk s PHE 156 CO -0.01 -1.89 1.72 -1.00 -1.46 0.00 0.00 175.22 172.58 1klk h PRO 157 N 6.00 -0.12 -5.70 10.12 0.13 -1.91 -3.44 132.00 137.09 1klk h PRO 157 Ca -0.43 0.01 -0.66 0.00 -0.87 0.00 0.00 66.00 64.04 1klk h PRO 157 Cb 1.21 0.03 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 1klk h PRO 157 CO 0.80 -0.08 -0.59 -0.51 -0.23 0.00 0.00 178.00 177.40 1klk s LEU 158 N -10.21 3.74 -1.33 1.56 1.43 -1.26 -5.02 118.68 107.59 1klk s LEU 158 Ca -0.14 0.16 -0.14 0.00 -1.03 0.00 0.00 54.13 52.99 1klk s LEU 158 Cb 0.06 -1.89 0.11 0.00 0.03 0.00 0.00 46.19 44.50 1klk s LEU 158 CO 0.66 0.32 1.87 0.29 0.23 0.00 0.00 176.35 179.72 1klk n LYS 159 N 2.56 3.24 0.15 1.70 5.02 -1.26 -4.78 118.16 124.79 1klk n LYS 159 Ca -0.18 -3.24 0.13 0.00 -2.02 0.00 0.00 58.31 52.99 1klk n LYS 159 Cb 0.53 -3.19 0.51 0.00 -0.02 0.00 0.00 35.03 32.86 1klk n LYS 159 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1klk h PHE 160 N 6.50 0.00 0.00 2.13 -0.00 -1.96 -2.85 116.94 120.76 1klk h PHE 160 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.42 1klk h PHE 160 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.68 1klk h PHE 160 CO 1.33 0.00 -0.89 0.54 -0.00 0.00 0.00 178.31 179.29 1klk n ARG 161 N -2.35 0.39 -1.72 6.09 1.74 -1.26 -4.70 116.66 114.86 1klk n ARG 161 Ca 0.02 0.06 -0.29 0.00 -0.77 0.00 0.00 57.85 56.87 1klk n ARG 161 Cb 0.25 -1.70 0.15 0.00 -1.02 0.00 0.00 32.46 30.14 1klk n ARG 161 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1klk s ASP 162 N -4.48 3.44 0.16 0.55 1.01 -1.08 -4.96 116.67 111.31 1klk s ASP 162 Ca 0.03 0.67 -0.13 0.00 0.71 0.00 0.00 52.55 53.84 1klk s ASP 162 Cb 0.13 -1.03 0.05 0.00 1.01 0.00 0.00 42.92 43.07 1klk s ASP 162 CO 0.77 -2.56 1.68 0.50 0.21 0.00 0.00 175.17 175.77 1klk h LYS 163 N -1.51 0.84 -1.03 8.23 3.64 -1.92 -3.19 116.57 121.62 1klk h LYS 163 Ca -0.47 -0.18 0.30 0.00 -1.27 0.00 0.00 60.65 59.03 1klk h LYS 163 Cb 1.30 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 1klk h LYS 163 CO 0.53 0.77 0.76 1.05 -2.27 0.00 0.00 179.45 180.30 1klk h GLU 164 N 0.74 0.00 -0.16 1.90 4.11 -1.95 0.28 114.58 119.51 1klk h GLU 164 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 1klk h GLU 164 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1klk h GLU 164 CO -0.00 0.00 0.00 0.91 0.07 0.00 0.00 179.01 179.99 1klk n TRP 165 N -4.16 0.20 0.18 2.06 7.02 -1.21 -4.67 117.44 116.85 1klk n TRP 165 Ca 0.22 -0.14 0.10 0.00 -1.02 0.00 0.00 57.50 56.66 1klk n TRP 165 Cb 1.11 -0.00 0.54 0.00 -2.42 0.00 0.00 31.31 30.54 1klk n TRP 165 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1klk h SER 166 N 3.27 0.00 0.26 -0.99 4.64 -0.94 -0.16 113.55 119.64 1klk h SER 166 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1klk h SER 166 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1klk h SER 166 CO 0.00 0.00 -0.61 -1.54 -0.87 0.00 0.00 176.83 173.81 1klk n SER 167 N -2.25 0.87 -0.11 4.97 3.41 -1.26 -4.42 113.62 114.83 1klk n SER 167 Ca -0.01 -0.69 -0.22 0.00 -0.26 0.00 0.00 58.87 57.69 1klk n SER 167 Cb 0.16 0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 64.51 1klk n SER 167 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1klk n VAL 168 N -1.24 1.35 -3.43 -3.33 0.31 -0.13 -4.95 118.33 106.91 1klk n VAL 168 Ca 0.06 -0.23 -0.38 0.00 -0.01 0.00 0.00 64.34 63.78 1klk n VAL 168 Cb 0.35 -1.92 -0.08 0.00 -0.91 0.00 0.00 33.84 31.28 1klk n VAL 168 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 1klk s TRP 169 N -2.51 3.33 -0.10 3.52 0.52 -0.86 -3.60 118.94 119.24 1klk s TRP 169 Ca -0.32 0.51 0.02 0.00 0.02 0.00 0.00 56.10 56.33 1klk s TRP 169 Cb 0.11 -2.50 -0.01 0.00 -1.15 0.00 0.00 33.47 29.92 1klk s TRP 169 CO 0.41 -0.05 -0.17 0.15 0.02 0.00 0.00 176.95 177.31 1klk s LYS 170 N 1.46 3.08 0.11 4.98 3.01 0.86 -4.63 119.74 128.63 1klk s LYS 170 Ca 0.16 -0.75 -0.26 0.00 -1.01 0.00 0.00 55.97 54.11 1klk s LYS 170 Cb -0.15 -2.47 -0.07 0.00 -1.01 0.00 0.00 37.83 34.14 1klk s LYS 170 CO 0.08 0.29 0.82 0.21 0.51 0.00 0.00 175.35 177.26 1klk s LYS 171 N 0.12 4.59 0.23 1.68 2.20 -1.26 0.54 119.74 127.84 1klk s LYS 171 Ca -0.08 1.21 -0.02 0.00 -0.36 0.00 0.00 55.97 56.71 1klk s LYS 171 Cb -0.15 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 1klk s LYS 171 CO 0.05 0.39 0.45 -1.21 -0.36 0.00 0.00 175.35 174.67 1klk s GLU 172 N -0.50 3.56 1.09 4.03 0.41 0.69 -4.93 118.70 123.06 1klk s GLU 172 Ca 0.39 -0.22 -0.12 0.00 -0.41 0.00 0.00 54.97 54.62 1klk s GLU 172 Cb -0.22 -2.77 0.25 0.00 -1.78 0.00 0.00 34.13 29.60 1klk s GLU 172 CO 0.26 0.33 1.06 0.15 -0.49 0.00 0.00 175.26 176.58 1klk s LYS 173 N -3.41 -0.38 0.31 1.61 1.02 -1.26 -4.62 119.74 113.00 1klk s LYS 173 Ca 0.40 1.07 0.10 0.00 0.02 0.00 0.00 55.97 57.56 1klk s LYS 173 Cb -0.11 -1.60 0.49 0.00 -0.52 0.00 0.00 37.83 36.09 1klk s LYS 173 CO 0.29 -3.43 1.70 1.25 -0.92 0.00 0.00 175.35 174.24 1klk h HIS 174 N -2.43 0.08 0.00 3.18 -0.00 -1.98 -2.45 115.15 111.55 1klk h HIS 174 Ca -0.56 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 59.75 1klk h HIS 174 Cb 1.31 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.70 1klk h HIS 174 CO 0.34 0.55 -0.19 0.66 -0.00 0.00 0.00 177.93 179.29 1klk h SER 175 N 0.05 0.00 0.51 3.26 4.64 -1.99 0.19 113.55 120.20 1klk h SER 175 Ca -0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 1klk h SER 175 Cb 0.89 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.99 1klk h SER 175 CO 0.07 0.19 -1.37 0.44 -0.87 0.00 0.00 176.83 175.28 1klk h ASP 176 N 0.00 0.51 -0.55 4.97 3.32 -1.86 -2.59 116.42 120.21 1klk h ASP 176 Ca -0.00 -0.58 -0.05 0.00 0.02 0.00 0.00 57.03 56.42 1klk h ASP 176 Cb 0.34 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1klk h ASP 176 CO 0.02 1.46 0.16 0.25 -1.72 0.00 0.00 179.24 179.41 1klk h LEU 177 N 0.09 0.85 -0.05 1.55 5.85 -0.82 -2.28 115.31 120.50 1klk h LEU 177 Ca -0.19 -0.15 -0.22 0.00 0.84 0.00 0.00 57.88 58.16 1klk h LEU 177 Cb 2.03 -0.22 0.02 0.00 0.37 0.00 0.00 40.66 42.85 1klk h LEU 177 CO 0.21 0.82 -0.84 -0.33 -0.34 0.00 0.00 178.44 177.96 1klk h GLU 178 N 0.88 0.65 -0.53 1.25 5.08 -0.72 -3.16 114.58 118.04 1klk h GLU 178 Ca 0.19 -0.64 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 1klk h GLU 178 Cb 0.29 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1klk h GLU 178 CO -0.00 1.24 0.24 1.03 -1.00 0.00 0.00 179.01 180.51 1klk h SER 179 N 0.30 0.71 0.08 1.42 0.87 -1.38 0.14 113.55 115.70 1klk h SER 179 Ca -0.09 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.31 1klk h SER 179 Cb 1.50 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.28 1klk h SER 179 CO 0.17 0.66 -0.06 -0.25 -0.53 0.00 0.00 176.83 176.81 1klk h TRP 180 N 0.71 0.00 -0.01 2.24 7.01 -1.50 -1.65 115.95 122.75 1klk h TRP 180 Ca 0.18 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.18 1klk h TRP 180 Cb 0.15 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.21 1klk h TRP 180 CO 0.00 0.06 -0.34 0.28 -2.79 0.00 0.00 178.44 175.66 1klk n VAL 181 N -4.28 0.00 -0.35 2.65 0.31 -0.84 -4.97 118.33 110.85 1klk n VAL 181 Ca -0.03 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1klk n VAL 181 Cb 0.15 0.85 0.00 0.00 -0.91 0.00 0.00 33.84 33.93 1klk n VAL 181 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1klk n GLY 182 N 1.37 1.04 3.25 2.92 0.00 0.45 -4.93 105.19 109.28 1klk n GLY 182 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 1klk n GLY 182 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1klk s THR 183 N -2.24 0.00 0.16 2.61 -1.32 -1.12 -4.98 115.64 108.76 1klk s THR 183 Ca 0.00 -2.00 -0.23 0.00 -1.21 0.00 0.00 61.69 58.25 1klk s THR 183 Cb 0.00 -2.50 -0.08 0.00 -1.51 0.00 0.00 72.50 68.41 1klk s THR 183 CO 0.00 0.00 0.72 -0.54 -2.21 0.00 0.00 174.62 172.59 1klk s LYS 184 N -3.77 4.43 0.03 7.08 3.01 -1.26 -4.59 119.74 124.66 1klk s LYS 184 Ca 0.40 1.02 0.03 0.00 -1.01 0.00 0.00 55.97 56.40 1klk s LYS 184 Cb 0.04 -3.18 -0.02 0.00 -1.01 0.00 0.00 37.83 33.67 1klk s LYS 184 CO 0.21 0.55 -0.09 0.14 0.51 0.00 0.00 175.35 176.67 1klk s VAL 185 N -1.22 0.64 -0.20 3.17 -7.23 -1.26 -5.11 120.40 109.19 1klk s VAL 185 Ca 0.36 -0.80 -0.39 0.00 -1.81 0.00 0.00 61.98 59.33 1klk s VAL 185 Cb -0.21 -0.63 -0.16 0.00 0.56 0.00 0.00 36.38 35.95 1klk s VAL 185 CO 0.24 -0.14 1.68 -2.65 -0.31 0.00 0.00 175.10 173.92 1klk n PRO 186 N 2.02 1.21 -3.38 4.82 -0.02 -1.26 -4.95 135.00 133.43 1klk n PRO 186 Ca -0.19 0.44 -0.38 0.00 -2.02 0.00 0.00 63.50 61.35 1klk n PRO 186 Cb 0.56 -2.12 -0.07 0.00 -0.02 0.00 0.00 33.50 31.84 1klk n PRO 186 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1klk s HIS 187 N 3.02 3.39 0.00 6.00 2.46 -1.26 -4.63 115.29 124.27 1klk s HIS 187 Ca 0.96 0.65 0.00 0.00 0.47 0.00 0.00 55.06 57.13 1klk s HIS 187 Cb -1.03 -2.53 0.00 0.00 -0.13 0.00 0.00 32.58 28.89 1klk s HIS 187 CO 0.62 0.01 0.00 0.41 -2.47 0.00 0.00 174.74 173.31 1klk n GLY 188 N 3.83 -3.95 3.51 1.59 0.00 -1.26 -4.99 105.19 103.93 1klk n GLY 188 Ca -0.08 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.61 1klk n GLY 188 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1klk n LYS 189 N -0.17 -1.03 -3.58 1.61 4.76 -1.26 -4.62 118.16 113.86 1klk n LYS 189 Ca 0.00 -0.26 -0.18 0.00 -2.87 0.00 0.00 58.31 55.01 1klk n LYS 189 Cb 0.00 -2.12 -0.14 0.00 -1.84 0.00 0.00 35.03 30.93 1klk n LYS 189 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1klk s ILE 190 N -2.48 -0.30 -0.64 -0.18 1.01 0.17 -4.92 121.20 113.87 1klk s ILE 190 Ca 0.64 0.09 -0.14 0.00 0.00 0.00 0.00 60.65 61.24 1klk s ILE 190 Cb -0.22 -0.51 0.16 0.00 0.01 0.00 0.00 42.46 41.90 1klk s ILE 190 CO 0.63 -0.05 0.57 0.21 0.00 0.00 0.00 174.94 176.30 1klk s ASN 191 N 2.31 6.29 -0.39 3.58 3.84 -1.24 -2.11 114.94 127.22 1klk s ASN 191 Ca 0.04 -2.18 -0.10 0.00 0.21 0.00 0.00 52.86 50.84 1klk s ASN 191 Cb -0.14 -2.17 0.05 0.00 -0.55 0.00 0.00 41.25 38.44 1klk s ASN 191 CO -0.09 -0.71 0.22 -0.70 -2.79 0.00 0.00 177.10 173.02 1klk s GLU 192 N 0.98 2.70 -1.45 0.43 2.12 -0.70 -4.67 118.70 118.12 1klk s GLU 192 Ca 0.09 -1.26 -0.10 0.00 0.36 0.00 0.00 54.97 54.06 1klk s GLU 192 Cb -0.22 -3.72 0.05 0.00 0.26 0.00 0.00 34.13 30.51 1klk s GLU 192 CO -0.02 -0.81 0.98 -0.25 -0.54 0.00 0.00 175.26 174.62 1klk n ASP 193 N 4.94 -4.38 -0.15 -1.70 8.00 -1.26 -2.59 116.55 119.41 1klk n ASP 193 Ca -0.11 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.65 1klk n ASP 193 Cb 0.44 -4.18 0.00 0.00 -0.02 0.00 0.00 41.12 37.36 1klk n ASP 193 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1klk n GLY 194 N -1.72 0.58 3.01 0.44 0.00 -1.26 -5.06 105.19 101.18 1klk n GLY 194 Ca -0.04 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 1klk n GLY 194 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1klk s PHE 195 N -2.30 0.92 -0.23 1.61 0.40 -1.07 -5.06 117.98 112.26 1klk s PHE 195 Ca 0.00 -0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.13 1klk s PHE 195 Cb 0.00 -0.64 0.05 0.00 0.51 0.00 0.00 43.02 42.93 1klk s PHE 195 CO 0.00 -0.08 -0.13 -0.51 0.70 0.00 0.00 175.22 175.20 1klk s ASP 196 N 0.10 3.86 0.16 1.36 1.01 -1.26 -1.71 116.67 120.20 1klk s ASP 196 Ca -0.02 -1.08 0.00 0.00 0.71 0.00 0.00 52.55 52.17 1klk s ASP 196 Cb -0.07 -1.46 -0.04 0.00 1.01 0.00 0.00 42.92 42.35 1klk s ASP 196 CO 0.00 -0.13 0.04 -0.72 0.21 0.00 0.00 175.17 174.57 1klk s TYR 197 N 1.22 1.08 0.11 4.23 -0.85 -0.90 -0.31 117.35 121.93 1klk s TYR 197 Ca -0.03 -1.14 -0.16 0.00 -0.52 0.00 0.00 57.07 55.22 1klk s TYR 197 Cb -0.17 -0.61 0.03 0.00 0.38 0.00 0.00 41.96 41.59 1klk s TYR 197 CO -0.08 -0.37 0.40 -1.83 -1.52 0.00 0.00 175.55 172.15 1klk s GLU 198 N -3.99 1.04 0.07 -3.49 -1.05 -1.13 -0.65 118.70 109.50 1klk s GLU 198 Ca 0.26 -0.66 -0.14 0.00 -0.15 0.00 0.00 54.97 54.28 1klk s GLU 198 Cb 0.07 0.46 -0.06 0.00 -0.44 0.00 0.00 34.13 34.15 1klk s GLU 198 CO 0.04 -0.40 0.48 -0.06 0.95 0.00 0.00 175.26 176.27 1klk s PHE 199 N -3.59 3.68 0.03 4.83 0.08 -1.26 -1.87 117.98 119.87 1klk s PHE 199 Ca 0.02 1.02 -0.05 0.00 0.12 0.00 0.00 56.93 58.04 1klk s PHE 199 Cb 0.02 -2.32 -0.01 0.00 -0.57 0.00 0.00 43.02 40.13 1klk s PHE 199 CO -0.10 0.55 0.08 -1.21 -0.10 0.00 0.00 175.22 174.43 1klk s GLU 200 N -1.52 0.53 -0.08 0.44 2.02 0.67 -4.94 118.70 115.82 1klk s GLU 200 Ca 0.31 -0.69 -0.00 0.00 0.02 0.00 0.00 54.97 54.61 1klk s GLU 200 Cb -0.16 0.21 0.02 0.00 0.10 0.00 0.00 34.13 34.30 1klk s GLU 200 CO 0.17 -0.13 -0.05 1.41 0.02 0.00 0.00 175.26 176.69 1klk s MET 201 N -2.29 1.06 0.04 1.61 -2.45 -1.26 -0.66 119.30 115.35 1klk s MET 201 Ca -0.08 -0.11 0.06 0.00 -1.25 0.00 0.00 55.69 54.31 1klk s MET 201 Cb -0.03 -1.19 -0.03 0.00 1.25 0.00 0.00 34.83 34.83 1klk s MET 201 CO -0.03 -0.21 -0.13 -1.58 1.05 0.00 0.00 175.02 174.12 1klk s TRP 202 N 1.53 2.70 0.05 4.11 0.52 -0.65 -0.22 118.94 126.98 1klk s TRP 202 Ca -0.00 -0.17 0.06 0.00 0.02 0.00 0.00 56.10 56.01 1klk s TRP 202 Cb -0.13 -1.51 -0.02 0.00 -1.15 0.00 0.00 33.47 30.65 1klk s TRP 202 CO -0.04 0.32 -0.17 0.99 0.02 0.00 0.00 176.95 178.06 1klk s THR 203 N -0.99 1.37 0.25 2.01 2.01 0.19 -1.36 115.64 119.12 1klk s THR 203 Ca 0.16 -1.14 0.10 0.00 0.31 0.00 0.00 61.69 61.13 1klk s THR 203 Cb -0.11 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 1klk s THR 203 CO 0.07 0.06 -0.08 -0.60 -0.69 0.00 0.00 174.62 173.38 1klk s ARG 204 N -1.26 2.06 -0.02 4.92 3.52 -0.72 -0.09 118.95 127.37 1klk s ARG 204 Ca 0.04 -1.50 -0.16 0.00 -0.13 0.00 0.00 55.73 53.99 1klk s ARG 204 Cb -0.08 -2.04 -0.06 0.00 -1.56 0.00 0.00 34.95 31.21 1klk s ARG 204 CO 0.02 0.37 0.44 0.34 -0.81 0.00 0.00 175.30 175.65 1klk s ASP 205 N -3.46 6.81 0.00 -2.12 2.15 -1.24 -4.92 116.67 113.89 1klk s ASP 205 Ca 0.30 0.96 0.01 0.00 0.43 0.00 0.00 52.55 54.24 1klk s ASP 205 Cb -0.06 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 1klk s ASP 205 CO 0.17 0.26 0.52 0.18 -0.17 0.00 0.00 175.17 176.13