#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nkw s ASP 2 N 0.00 1.35 0.32 1.62 1.01 -1.26 -5.16 116.67 114.55 3nkw s ASP 2 Ca 0.00 -0.21 -0.26 0.00 0.71 0.00 0.00 52.55 52.79 3nkw s ASP 2 Cb 0.00 -0.21 -0.10 0.00 1.01 0.00 0.00 42.92 43.62 3nkw s ASP 2 CO 0.00 0.12 0.95 -2.84 0.21 0.00 0.00 175.17 173.62 3nkw s PRO 3 N -0.15 4.58 0.39 8.23 0.02 -1.26 -5.09 135.00 141.73 3nkw s PRO 3 Ca 0.02 1.37 0.08 0.00 0.02 0.00 0.00 61.00 62.48 3nkw s PRO 3 Cb -0.06 -2.83 -0.03 0.00 0.02 0.00 0.00 34.50 31.60 3nkw s PRO 3 CO -0.00 0.27 0.31 -1.25 -0.33 0.00 0.00 177.00 176.00 3nkw s PRO 4 N -1.99 2.51 -1.16 5.54 0.04 -1.26 -5.09 135.00 133.59 3nkw s PRO 4 Ca 0.50 -1.54 -0.10 0.00 0.04 0.00 0.00 61.00 59.91 3nkw s PRO 4 Cb -0.20 -2.32 0.24 0.00 0.04 0.00 0.00 34.50 32.27 3nkw s PRO 4 CO 0.25 -0.09 1.36 0.00 0.04 0.00 0.00 177.00 178.56 3nkw n ALA 5 N -1.42 4.42 -0.03 8.56 0.00 -1.26 -4.78 120.51 126.00 3nkw n ALA 5 Ca 0.01 -4.53 -0.07 0.00 0.00 0.00 0.00 53.44 48.85 3nkw n ALA 5 Cb 0.62 -2.67 -0.02 0.00 0.00 0.00 0.00 19.45 17.37 3nkw n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3nkw n GLY 7 N 2.44 2.92 0.73 0.00 0.00 -1.26 -4.41 105.19 105.61 3nkw n GLY 7 Ca -0.13 -0.95 0.03 0.00 0.00 0.00 0.00 46.02 44.97 3nkw n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3nkw n SER 8 N 5.20 1.95 -4.71 1.61 3.41 -1.26 -4.94 113.62 114.88 3nkw n SER 8 Ca 0.45 -2.18 -0.41 0.00 -0.26 0.00 0.00 58.87 56.47 3nkw n SER 8 Cb 0.21 -0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 63.71 3nkw n SER 8 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3nkw s ILE 9 N -1.59 4.95 -0.33 -1.33 1.01 -1.26 -3.88 121.20 118.76 3nkw s ILE 9 Ca 0.16 1.78 -0.29 0.00 0.00 0.00 0.00 60.65 62.29 3nkw s ILE 9 Cb 0.11 -4.19 0.01 0.00 0.01 0.00 0.00 42.46 38.40 3nkw s ILE 9 CO 0.07 0.19 1.16 -0.69 0.00 0.00 0.00 174.94 175.67 3nkw s VAL 10 N 0.96 4.34 0.51 2.92 1.01 0.12 -4.95 120.40 125.32 3nkw s VAL 10 Ca 0.45 1.52 -0.20 0.00 0.00 0.00 0.00 61.98 63.75 3nkw s VAL 10 Cb -0.19 -4.35 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 3nkw s VAL 10 CO 0.23 -0.55 1.10 -2.84 0.00 0.00 0.00 175.10 173.04 3nkw s PRO 11 N 3.93 3.59 0.12 2.72 0.02 -1.26 -1.96 135.00 142.16 3nkw s PRO 11 Ca 0.49 1.54 -0.18 0.00 0.02 0.00 0.00 61.00 62.88 3nkw s PRO 11 Cb -0.13 -2.10 0.03 0.00 0.02 0.00 0.00 34.50 32.32 3nkw s PRO 11 CO 0.20 -0.64 1.04 0.54 -0.33 0.00 0.00 177.00 177.80 3nkw n ARG 12 N -1.05 -0.25 0.05 5.54 1.74 -1.26 0.11 116.66 121.55 3nkw n ARG 12 Ca 0.10 1.02 0.21 0.00 -0.77 0.00 0.00 57.85 58.41 3nkw n ARG 12 Cb 0.51 -1.51 0.74 0.00 -1.02 0.00 0.00 32.46 31.18 3nkw n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nkw h ARG 13 N 0.00 0.00 0.00 5.56 2.47 -1.92 -0.79 114.38 119.70 3nkw h ARG 13 Ca 0.15 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.67 3nkw h ARG 13 Cb 0.32 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.61 3nkw h ARG 13 CO -0.64 0.00 -0.96 1.49 0.56 0.00 0.00 179.97 180.42 3nkw h GLU 14 N 0.00 0.00 -0.63 0.04 4.81 -0.68 -3.28 114.58 114.84 3nkw h GLU 14 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3nkw h GLU 14 Cb 1.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3nkw h GLU 14 CO -0.00 0.96 0.00 -2.67 -0.73 0.00 0.00 179.01 176.56 3nkw n TRP 15 N -3.39 0.84 -2.80 0.92 4.27 -0.36 -4.94 117.44 111.98 3nkw n TRP 15 Ca -0.00 -0.42 -0.08 0.00 -3.89 0.00 0.00 57.50 53.10 3nkw n TRP 15 Cb 0.91 0.00 0.02 0.00 -1.36 0.00 0.00 31.31 30.88 3nkw n TRP 15 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 3nkw n ARG 16 N 1.39 -2.57 -1.90 -2.67 5.12 -0.92 -4.63 116.66 110.48 3nkw n ARG 16 Ca 0.22 0.30 -0.40 0.00 -1.93 0.00 0.00 57.85 56.04 3nkw n ARG 16 Cb 0.55 -3.76 0.00 0.00 -1.16 0.00 0.00 32.46 28.10 3nkw n ARG 16 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3nkw s ALA 17 N -3.03 3.32 0.64 7.54 0.00 -0.88 -4.99 121.76 124.36 3nkw s ALA 17 Ca 0.18 1.40 -0.17 0.00 0.00 0.00 0.00 51.96 53.37 3nkw s ALA 17 Cb -0.08 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 3nkw s ALA 17 CO 0.23 -1.02 1.16 -0.51 0.00 0.00 0.00 175.76 175.62 3nkw s LEU 18 N -2.47 3.50 0.32 0.00 1.43 -1.26 -4.87 118.68 115.33 3nkw s LEU 18 Ca 0.58 2.20 -0.29 0.00 -1.03 0.00 0.00 54.13 55.58 3nkw s LEU 18 Cb -0.42 -4.58 -0.11 0.00 0.03 0.00 0.00 46.19 41.12 3nkw s LEU 18 CO 0.55 -1.69 1.43 0.00 0.23 0.00 0.00 176.35 176.87 3nkw s ALA 19 N -1.99 3.58 0.50 4.21 0.00 -1.26 -4.98 121.76 121.82 3nkw s ALA 19 Ca 0.72 1.42 -0.19 0.00 0.00 0.00 0.00 51.96 53.91 3nkw s ALA 19 Cb -0.25 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.23 3nkw s ALA 19 CO 0.38 -0.84 1.02 0.45 0.00 0.00 0.00 175.76 176.76 3nkw s SER 20 N -0.05 6.40 0.00 0.00 0.15 -1.26 -4.95 113.70 113.99 3nkw s SER 20 Ca 0.54 1.81 0.04 0.00 0.70 0.00 0.00 55.95 59.04 3nkw s SER 20 Cb -0.43 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.36 3nkw s SER 20 CO 0.53 -0.74 0.57 -0.62 1.20 0.00 0.00 173.24 174.19 3nkw n GLU 21 N -1.19 0.51 -2.55 5.44 1.02 -0.18 -5.04 120.64 118.65 3nkw n GLU 21 Ca 0.08 -0.66 -0.36 0.00 -0.02 0.00 0.00 57.16 56.21 3nkw n GLU 21 Cb 0.53 -1.03 -0.04 0.00 -0.02 0.00 0.00 31.44 30.88 3nkw n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3nkw n ARG 23 N -0.29 4.03 -2.21 0.00 5.12 -1.26 -5.06 116.66 116.99 3nkw n ARG 23 Ca 0.06 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.55 3nkw n ARG 23 Cb 0.50 -0.50 -0.02 0.00 -1.16 0.00 0.00 32.46 31.28 3nkw n ARG 23 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3nkw s GLU 24 N -0.39 4.08 0.39 5.56 2.02 -1.26 -4.98 118.70 124.11 3nkw s GLU 24 Ca 0.00 1.79 -0.15 0.00 0.02 0.00 0.00 54.97 56.63 3nkw s GLU 24 Cb 0.00 -3.92 -0.09 0.00 0.10 0.00 0.00 34.13 30.23 3nkw s GLU 24 CO 0.00 -0.94 0.82 1.03 0.02 0.00 0.00 175.26 176.19 3nkw s ARG 25 N 4.03 3.99 0.23 1.61 1.81 -1.26 -0.64 118.95 128.72 3nkw s ARG 25 Ca 0.65 0.74 -0.12 0.00 -1.72 0.00 0.00 55.73 55.29 3nkw s ARG 25 Cb -0.26 -2.34 -0.08 0.00 -0.45 0.00 0.00 34.95 31.83 3nkw s ARG 25 CO 0.24 0.02 0.59 -0.51 -0.68 0.00 0.00 175.30 174.96 3nkw s LEU 26 N -3.36 4.18 -0.30 2.53 1.43 0.22 -4.50 118.68 118.87 3nkw s LEU 26 Ca 0.56 1.03 -0.20 0.00 -1.03 0.00 0.00 54.13 54.49 3nkw s LEU 26 Cb -0.10 -3.69 -0.01 0.00 0.03 0.00 0.00 46.19 42.42 3nkw s LEU 26 CO 0.22 -0.07 0.61 -0.89 0.23 0.00 0.00 176.35 176.45 3nkw s THR 27 N -1.78 4.96 0.07 5.49 2.01 -1.26 -4.88 115.64 120.24 3nkw s THR 27 Ca 0.47 0.82 -0.00 0.00 0.31 0.00 0.00 61.69 63.28 3nkw s THR 27 Cb -0.12 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 3nkw s THR 27 CO 0.20 -0.12 0.22 0.00 -0.69 0.00 0.00 174.62 174.23 3nkw s ARG 28 N 2.56 3.45 0.31 4.92 1.70 -1.26 -4.10 118.95 126.53 3nkw s ARG 28 Ca 0.24 -0.44 -0.28 0.00 -0.47 0.00 0.00 55.73 54.79 3nkw s ARG 28 Cb -0.15 -3.02 -0.09 0.00 -0.57 0.00 0.00 34.95 31.11 3nkw s ARG 28 CO 0.12 0.59 1.08 -1.25 -1.08 0.00 0.00 175.30 174.76 3nkw s PRO 29 N -2.58 4.52 0.05 3.89 0.04 -1.26 -5.07 135.00 134.59 3nkw s PRO 29 Ca 0.35 1.71 -0.16 0.00 0.04 0.00 0.00 61.00 62.94 3nkw s PRO 29 Cb -0.13 -3.02 -0.06 0.00 0.04 0.00 0.00 34.50 31.33 3nkw s PRO 29 CO 0.28 0.13 0.49 0.08 0.04 0.00 0.00 177.00 178.02 3nkw s VAL 30 N -1.30 4.89 -0.13 -0.36 1.01 0.67 -4.65 120.40 120.53 3nkw s VAL 30 Ca 0.48 0.96 0.18 0.00 0.00 0.00 0.00 61.98 63.60 3nkw s VAL 30 Cb -0.29 -3.78 -0.16 0.00 0.00 0.00 0.00 36.38 32.15 3nkw s VAL 30 CO 0.37 0.50 0.71 -1.14 0.00 0.00 0.00 175.10 175.54 3nkw n ARG 31 N 1.58 0.63 -4.46 2.72 0.63 -1.26 -1.13 116.66 115.37 3nkw n ARG 31 Ca -0.11 0.13 -0.25 0.00 -0.92 0.00 0.00 57.85 56.69 3nkw n ARG 31 Cb 0.52 -1.74 -0.13 0.00 0.45 0.00 0.00 32.46 31.56 3nkw n ARG 31 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3nkw s TYR 32 N -3.00 1.86 -0.09 -0.14 2.02 -1.21 -1.54 117.35 115.25 3nkw s TYR 32 Ca -0.04 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.30 3nkw s TYR 32 Cb 0.09 -1.06 0.00 0.00 -0.40 0.00 0.00 41.96 40.60 3nkw s TYR 32 CO 0.82 0.17 -0.20 0.08 -1.57 0.00 0.00 175.55 174.85 3nkw s VAL 33 N -0.99 1.72 -0.19 0.71 1.01 -0.24 -1.14 120.40 121.27 3nkw s VAL 33 Ca 0.08 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 3nkw s VAL 33 Cb -0.10 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.78 3nkw s VAL 33 CO 0.03 0.49 -0.13 -0.69 0.00 0.00 0.00 175.10 174.80 3nkw s VAL 34 N 0.44 2.72 -0.16 2.92 1.01 0.22 -0.65 120.40 126.90 3nkw s VAL 34 Ca -0.17 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 60.93 3nkw s VAL 34 Cb -0.17 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 3nkw s VAL 34 CO 0.07 0.49 0.40 -0.69 0.00 0.00 0.00 175.10 175.37 3nkw s VAL 35 N 1.29 5.22 0.36 2.92 1.01 -0.42 -2.24 120.40 128.54 3nkw s VAL 35 Ca 0.04 0.76 0.05 0.00 0.00 0.00 0.00 61.98 62.83 3nkw s VAL 35 Cb -0.14 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3nkw s VAL 35 CO -0.07 0.31 0.19 -0.94 0.00 0.00 0.00 175.10 174.60 3nkw s SER 36 N 0.74 2.10 0.16 3.32 1.04 -0.73 -0.70 113.70 119.62 3nkw s SER 36 Ca 0.21 -1.69 0.07 0.00 0.48 0.00 0.00 55.95 55.02 3nkw s SER 36 Cb -0.14 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 3nkw s SER 36 CO 0.08 -0.98 -0.15 -1.38 0.98 0.00 0.00 173.24 171.79 3nkw s HIS 37 N -3.39 1.56 -0.39 5.02 -3.43 -1.26 -1.32 115.29 112.08 3nkw s HIS 37 Ca 0.33 -0.56 0.27 0.00 -0.80 0.00 0.00 55.06 54.29 3nkw s HIS 37 Cb 0.03 -0.78 0.94 0.00 -1.43 0.00 0.00 32.58 31.34 3nkw s HIS 37 CO 0.20 0.24 1.78 1.79 -2.00 0.00 0.00 174.74 176.75 3nkw h THR 38 N 3.11 0.00 0.00 -5.38 1.35 -1.12 -3.46 112.91 107.41 3nkw h THR 38 Ca -0.39 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3nkw h THR 38 Cb 1.20 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 3nkw h THR 38 CO 0.55 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.82 3nkw n ALA 39 N -1.91 0.00 -1.50 6.62 0.00 0.57 -4.88 120.51 119.41 3nkw n ALA 39 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3nkw n ALA 39 Cb 0.34 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.20 3nkw n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nkw n GLY 40 N -1.93 1.19 3.89 0.00 0.00 -1.22 -4.58 105.19 102.54 3nkw n GLY 40 Ca 0.00 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 3nkw n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3nkw s SER 41 N -1.00 6.26 0.60 1.61 1.04 -1.26 -2.55 113.70 118.40 3nkw s SER 41 Ca 0.00 1.12 0.04 0.00 0.48 0.00 0.00 55.95 57.59 3nkw s SER 41 Cb 0.00 -2.33 0.08 0.00 0.10 0.00 0.00 66.02 63.87 3nkw s SER 41 CO 0.00 -0.68 0.84 -1.38 0.98 0.00 0.00 173.24 173.00 3nkw s HIS 42 N -2.89 1.96 -0.17 5.02 -0.00 -1.26 -3.19 115.29 114.76 3nkw s HIS 42 Ca 0.50 -0.37 -0.20 0.00 -0.00 0.00 0.00 55.06 55.00 3nkw s HIS 42 Cb -0.11 -2.64 0.05 0.00 -0.00 0.00 0.00 32.58 29.89 3nkw s HIS 42 CO 0.48 -1.21 0.55 0.00 -0.00 0.00 0.00 174.74 174.55 3nkw n ASP 44 N 2.44 1.39 -3.77 0.00 5.68 -1.26 -2.41 116.55 118.63 3nkw n ASP 44 Ca -0.15 -3.02 -0.13 0.00 -0.50 0.00 0.00 54.79 51.00 3nkw n ASP 44 Cb 0.56 -0.42 -0.09 0.00 -1.14 0.00 0.00 41.12 40.04 3nkw n ASP 44 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3nkw s THR 45 N -1.81 0.05 0.63 2.12 -4.23 -1.26 -4.50 115.64 106.63 3nkw s THR 45 Ca 0.33 -0.39 0.35 0.00 -1.18 0.00 0.00 61.69 60.81 3nkw s THR 45 Cb 0.34 -0.57 0.39 0.00 1.34 0.00 0.00 72.50 74.00 3nkw s THR 45 CO -0.09 -0.21 2.22 -0.65 -0.54 0.00 0.00 174.62 175.34 3nkw h PRO 46 N 4.28 0.00 0.08 3.99 0.11 -1.96 0.35 132.00 138.86 3nkw h PRO 46 Ca -0.29 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 3nkw h PRO 46 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3nkw h PRO 46 CO 0.38 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.13 3nkw h ALA 47 N 1.84 -0.11 -0.25 -0.75 0.00 -2.00 -2.31 119.26 115.68 3nkw h ALA 47 Ca 0.02 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 3nkw h ALA 47 Cb 0.22 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3nkw h ALA 47 CO -0.00 -0.14 -0.62 0.66 0.00 0.00 0.00 179.25 179.14 3nkw h SER 48 N -0.95 0.98 -0.58 0.00 4.64 -1.93 -3.12 113.55 112.59 3nkw h SER 48 Ca -0.01 -0.56 0.05 0.00 -0.47 0.00 0.00 61.79 60.79 3nkw h SER 48 Cb 0.51 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.27 3nkw h SER 48 CO 0.02 1.37 0.31 0.00 -0.87 0.00 0.00 176.83 177.65 3nkw h ALA 50 N 1.31 2.19 0.14 0.00 0.00 -1.38 0.83 119.26 122.34 3nkw h ALA 50 Ca 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3nkw h ALA 50 Cb 0.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3nkw h ALA 50 CO -0.17 -0.44 -0.07 0.37 0.00 0.00 0.00 179.25 178.95 3nkw h GLN 51 N 0.00 -0.18 -0.35 0.00 5.75 -1.07 -2.05 115.11 117.22 3nkw h GLN 51 Ca 0.16 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.73 3nkw h GLN 51 Cb 0.69 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 29.22 3nkw h GLN 51 CO -0.00 0.28 -0.04 1.96 -2.65 0.00 0.00 178.83 178.38 3nkw h GLN 52 N -0.77 0.05 -0.65 1.69 1.08 0.47 -0.78 115.11 116.20 3nkw h GLN 52 Ca -0.02 -0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.24 3nkw h GLN 52 Cb 0.54 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.90 3nkw h GLN 52 CO 0.03 0.03 0.36 0.00 -0.95 0.00 0.00 178.83 178.30 3nkw h ALA 53 N 1.33 0.86 -0.38 3.87 0.00 -0.88 -1.22 119.26 122.83 3nkw h ALA 53 Ca 0.17 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3nkw h ALA 53 Cb 0.25 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3nkw h ALA 53 CO -0.32 0.03 0.10 1.96 0.00 0.00 0.00 179.25 181.02 3nkw h GLN 54 N 0.66 0.22 -0.01 0.00 4.20 -0.56 -2.06 115.11 117.56 3nkw h GLN 54 Ca 0.29 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.99 3nkw h GLN 54 Cb 0.18 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3nkw h GLN 54 CO -0.18 0.15 0.01 -0.91 -0.67 0.00 0.00 178.83 177.22 3nkw h ASN 55 N 0.23 0.01 0.14 1.46 -0.26 -0.06 0.54 115.58 117.64 3nkw h ASN 55 Ca 0.18 -0.12 -0.01 0.00 -0.56 0.00 0.00 56.30 55.79 3nkw h ASN 55 Cb 0.20 -0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.45 3nkw h ASN 55 CO -0.22 0.13 -0.05 1.62 -1.06 0.00 0.00 177.43 177.85 3nkw h VAL 56 N -0.11 0.59 -0.07 2.81 3.04 -1.30 -1.57 116.25 119.64 3nkw h VAL 56 Ca 0.00 -0.23 -0.24 0.00 -1.01 0.00 0.00 66.70 65.22 3nkw h VAL 56 Cb 0.12 1.14 0.01 0.00 -2.01 0.00 0.00 31.29 30.56 3nkw h VAL 56 CO -0.00 0.05 -0.91 -0.61 -1.01 0.00 0.00 177.57 175.09 3nkw h GLN 57 N 0.00 0.72 -0.69 4.17 4.15 -0.88 -2.88 115.11 119.70 3nkw h GLN 57 Ca -0.00 -0.68 0.03 0.00 0.77 0.00 0.00 58.65 58.76 3nkw h GLN 57 Cb 0.14 0.17 -0.04 0.00 0.21 0.00 0.00 27.48 27.96 3nkw h GLN 57 CO 0.01 1.28 0.46 1.03 -1.93 0.00 0.00 178.83 179.67 3nkw h SER 58 N 0.45 0.74 0.29 -0.69 0.87 -0.30 0.26 113.55 115.17 3nkw h SER 58 Ca -0.09 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 3nkw h SER 58 Cb 1.55 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 3nkw h SER 58 CO 0.18 0.52 -0.14 0.22 -0.53 0.00 0.00 176.83 177.08 3nkw h TYR 59 N 0.86 -0.36 -0.98 2.24 3.20 -1.32 0.25 116.97 120.87 3nkw h TYR 59 Ca 0.27 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.14 3nkw h TYR 59 Cb 0.02 0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 3nkw h TYR 59 CO -0.00 -0.01 0.63 0.45 -1.64 0.00 0.00 178.16 177.59 3nkw h HIS 60 N -0.78 1.25 0.01 -3.82 3.86 -1.25 -1.53 115.15 112.89 3nkw h HIS 60 Ca -0.04 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.06 3nkw h HIS 60 Cb 0.51 -0.42 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 3nkw h HIS 60 CO 0.03 0.80 -0.70 0.28 0.86 0.00 0.00 177.93 179.21 3nkw h VAL 61 N 1.34 1.32 0.07 2.45 2.07 -0.50 -1.53 116.25 121.47 3nkw h VAL 61 Ca 0.36 -2.26 -0.00 0.00 0.82 0.00 0.00 66.70 65.61 3nkw h VAL 61 Cb -0.12 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3nkw h VAL 61 CO -0.07 0.46 -0.03 0.03 0.02 0.00 0.00 177.57 177.97 3nkw h ARG 62 N -0.97 -0.09 0.01 1.57 3.08 -0.55 -2.83 114.38 114.59 3nkw h ARG 62 Ca -0.19 0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.75 3nkw h ARG 62 Cb 1.19 0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.27 3nkw h ARG 62 CO -0.11 0.37 -0.46 -0.91 -1.07 0.00 0.00 179.97 177.80 3nkw h ASN 63 N -0.96 0.39 0.36 7.04 2.35 -1.31 -3.28 115.58 120.16 3nkw h ASN 63 Ca -0.01 -0.78 0.00 0.00 -0.55 0.00 0.00 56.30 54.96 3nkw h ASN 63 Cb 0.50 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3nkw h ASN 63 CO 0.02 1.12 -0.17 0.18 -1.65 0.00 0.00 177.43 176.93 3nkw n LEU 64 N -4.34 0.61 -3.82 1.61 4.77 -0.74 -4.96 117.00 110.14 3nkw n LEU 64 Ca -0.10 -0.05 -0.26 0.00 -0.03 0.00 0.00 56.01 55.56 3nkw n LEU 64 Cb 0.61 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 41.55 3nkw n LEU 64 CO 0.43 0.12 0.03 0.61 -1.33 0.00 0.00 177.39 177.25 3nkw n GLY 65 N 1.32 -0.41 3.93 -0.72 0.00 -1.07 -4.97 105.19 103.27 3nkw n GLY 65 Ca 0.13 0.17 -0.27 0.00 0.00 0.00 0.00 46.02 46.05 3nkw n GLY 65 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3nkw s TRP 66 N -3.47 3.48 0.52 1.61 0.52 -0.58 -4.99 118.94 116.03 3nkw s TRP 66 Ca 0.38 0.33 0.32 0.00 0.02 0.00 0.00 56.10 57.14 3nkw s TRP 66 Cb -0.19 -1.85 1.77 0.00 -1.15 0.00 0.00 33.47 32.06 3nkw s TRP 66 CO 0.82 0.35 2.20 0.00 0.02 0.00 0.00 176.95 180.34 3nkw s ASP 68 N -5.97 -0.09 0.29 0.00 2.15 -1.26 -1.01 116.67 110.78 3nkw s ASP 68 Ca -0.04 -0.25 -0.27 0.00 0.43 0.00 0.00 52.55 52.42 3nkw s ASP 68 Cb 0.14 0.28 -0.14 0.00 -0.30 0.00 0.00 42.92 42.89 3nkw s ASP 68 CO 0.54 -0.52 0.87 0.55 -0.17 0.00 0.00 175.17 176.43 3nkw n VAL 69 N -0.51 2.00 0.22 1.11 3.14 -1.26 -4.64 118.33 118.39 3nkw n VAL 69 Ca -0.07 -0.50 0.11 0.00 -2.96 0.00 0.00 64.34 60.92 3nkw n VAL 69 Cb 0.62 -0.76 0.40 0.00 -1.06 0.00 0.00 33.84 33.05 3nkw n VAL 69 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3nkw h GLY 70 N 1.66 0.00 -4.12 7.55 0.00 -1.91 -3.43 103.07 102.83 3nkw h GLY 70 Ca -0.37 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.39 3nkw h GLY 70 CO 0.59 0.00 -0.29 -0.19 0.00 0.00 0.00 176.54 176.64 3nkw s TYR 71 N -3.49 3.47 0.14 5.60 2.02 -1.26 -0.18 117.35 123.65 3nkw s TYR 71 Ca 0.02 0.55 -0.12 0.00 -0.37 0.00 0.00 57.07 57.16 3nkw s TYR 71 Cb 0.09 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.62 3nkw s TYR 71 CO 0.64 0.40 1.52 -0.91 -1.57 0.00 0.00 175.55 175.63 3nkw h ASN 72 N 2.65 0.91 -4.98 2.29 2.35 -1.40 -2.36 115.58 115.04 3nkw h ASN 72 Ca -0.46 -0.40 -0.15 0.00 -0.55 0.00 0.00 56.30 54.73 3nkw h ASN 72 Cb 1.17 -0.25 -0.21 0.00 0.05 0.00 0.00 38.32 39.08 3nkw h ASN 72 CO 0.72 1.11 -0.58 -0.36 -1.65 0.00 0.00 177.43 176.67 3nkw s PHE 73 N -4.66 0.13 -0.03 1.19 0.08 -1.18 -0.33 117.98 113.18 3nkw s PHE 73 Ca -0.12 -0.30 0.07 0.00 0.12 0.00 0.00 56.93 56.71 3nkw s PHE 73 Cb 0.11 -0.11 -0.02 0.00 -0.57 0.00 0.00 43.02 42.44 3nkw s PHE 73 CO 0.85 -0.25 -0.25 -0.51 -0.10 0.00 0.00 175.22 174.96 3nkw s LEU 74 N -1.42 2.05 -0.16 -0.37 1.43 0.40 -1.86 118.68 118.76 3nkw s LEU 74 Ca -0.15 -0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 52.44 3nkw s LEU 74 Cb -0.09 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 3nkw s LEU 74 CO 0.01 0.29 -0.04 -0.63 0.23 0.00 0.00 176.35 176.21 3nkw s ILE 75 N -0.45 3.84 0.40 -0.59 -1.09 0.09 0.35 121.20 123.75 3nkw s ILE 75 Ca 0.05 -0.37 -0.07 0.00 -2.23 0.00 0.00 60.65 58.03 3nkw s ILE 75 Cb -0.11 -2.69 -0.05 0.00 -1.58 0.00 0.00 42.46 38.03 3nkw s ILE 75 CO 0.01 0.48 0.72 -0.83 -1.23 0.00 0.00 174.94 174.08 3nkw s GLY 76 N 0.50 1.72 0.00 6.18 0.00 -0.38 -1.64 107.32 113.70 3nkw s GLY 76 Ca -0.03 -0.43 0.28 0.00 0.00 0.00 0.00 44.72 44.54 3nkw s GLY 76 CO 0.03 -0.28 1.92 -2.21 0.00 0.00 0.00 173.10 172.56 3nkw n GLU 77 N -1.60 0.05 0.00 2.90 4.07 -1.01 -2.45 120.64 122.60 3nkw n GLU 77 Ca 0.00 0.01 0.15 0.00 -0.06 0.00 0.00 57.16 57.27 3nkw n GLU 77 Cb 0.54 -1.50 0.70 0.00 -0.06 0.00 0.00 31.44 31.13 3nkw n GLU 77 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 3nkw n ASP 78 N -1.48 0.87 0.00 4.31 5.75 -1.20 -4.68 116.55 120.12 3nkw n ASP 78 Ca 0.08 -1.29 0.00 0.00 -0.01 0.00 0.00 54.79 53.57 3nkw n ASP 78 Cb 0.32 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 3nkw n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3nkw n GLY 79 N 1.10 0.55 3.62 6.12 0.00 -1.02 -4.89 105.19 110.67 3nkw n GLY 79 Ca 0.21 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 3nkw n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3nkw s LEU 80 N 0.00 3.19 -0.16 0.99 1.43 -1.26 -4.64 118.68 118.22 3nkw s LEU 80 Ca 0.00 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 52.64 3nkw s LEU 80 Cb 0.00 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3nkw s LEU 80 CO 0.00 0.14 0.12 -0.69 0.23 0.00 0.00 176.35 176.15 3nkw s VAL 81 N -1.45 5.30 -0.15 -1.59 1.01 -1.25 -1.25 120.40 121.02 3nkw s VAL 81 Ca 0.24 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 3nkw s VAL 81 Cb -0.10 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 3nkw s VAL 81 CO 0.16 0.52 -0.07 -0.31 0.00 0.00 0.00 175.10 175.40 3nkw s TYR 82 N -0.20 2.95 0.20 5.22 2.02 0.15 0.15 117.35 127.86 3nkw s TYR 82 Ca 0.10 -0.43 -0.30 0.00 -0.37 0.00 0.00 57.07 56.07 3nkw s TYR 82 Cb -0.12 -1.93 -0.09 0.00 -0.40 0.00 0.00 41.96 39.43 3nkw s TYR 82 CO 0.01 -0.11 1.36 -2.00 -1.57 0.00 0.00 175.55 173.23 3nkw s GLU 83 N 0.39 4.35 0.00 -0.62 2.12 -0.83 -0.45 118.70 123.66 3nkw s GLU 83 Ca -0.06 2.13 0.00 0.00 0.36 0.00 0.00 54.97 57.40 3nkw s GLU 83 Cb -0.15 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.07 3nkw s GLU 83 CO 0.04 -0.32 0.00 0.41 -0.54 0.00 0.00 175.26 174.85 3nkw n GLY 84 N 2.44 0.93 0.03 -1.50 0.00 0.55 -4.52 105.19 103.13 3nkw n GLY 84 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 3nkw n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3nkw n ARG 85 N 0.00 0.10 0.00 1.61 1.74 -0.89 -4.94 116.66 114.28 3nkw n ARG 85 Ca 0.00 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 3nkw n ARG 85 Cb 0.00 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 3nkw n ARG 85 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3nkw n GLY 86 N 1.43 -1.74 0.17 -0.13 0.00 -0.73 -3.85 105.19 100.34 3nkw n GLY 86 Ca 0.06 -1.34 0.04 0.00 0.00 0.00 0.00 46.02 44.78 3nkw n GLY 86 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3nkw h TRP 87 N 0.00 0.00 0.00 1.61 4.06 -1.96 -3.36 115.95 116.30 3nkw h TRP 87 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3nkw h TRP 87 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3nkw h TRP 87 CO 0.00 0.44 -0.98 0.09 -3.56 0.00 0.00 178.44 174.43 3nkw n ASN 88 N -3.62 1.16 -4.57 -3.49 5.03 -1.26 -4.81 115.26 103.70 3nkw n ASN 88 Ca -0.00 -0.48 -0.35 0.00 0.87 0.00 0.00 54.58 54.61 3nkw n ASN 88 Cb 0.54 1.23 -0.11 0.00 -1.02 0.00 0.00 39.78 40.42 3nkw n ASN 88 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3nkw s ILE 89 N -2.47 4.67 -0.16 2.41 1.09 -1.25 0.70 121.20 126.19 3nkw s ILE 89 Ca 0.01 -0.06 -0.40 0.00 -1.10 0.00 0.00 60.65 59.10 3nkw s ILE 89 Cb 0.09 -3.14 -0.17 0.00 -1.06 0.00 0.00 42.46 38.18 3nkw s ILE 89 CO 0.53 0.40 1.54 1.17 -0.10 0.00 0.00 174.94 178.48 3nkw n LYS 90 N 4.10 0.93 -2.34 2.79 4.81 0.19 -4.73 118.16 123.91 3nkw n LYS 90 Ca -0.16 0.34 -0.26 0.00 -0.87 0.00 0.00 58.31 57.36 3nkw n LYS 90 Cb 0.52 -1.98 0.14 0.00 0.02 0.00 0.00 35.03 33.73 3nkw n LYS 90 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3nkw s GLY 91 N 2.18 1.77 -0.49 3.14 0.00 -1.26 -4.90 107.32 107.76 3nkw s GLY 91 Ca 0.94 -1.54 0.03 0.00 0.00 0.00 0.00 44.72 44.15 3nkw s GLY 91 CO 0.60 -0.89 0.30 0.00 0.00 0.00 0.00 173.10 173.12 3nkw s ALA 92 N -3.44 2.37 0.00 3.20 0.00 0.75 -4.85 121.76 119.79 3nkw s ALA 92 Ca 0.69 -2.82 0.00 0.00 0.00 0.00 0.00 51.96 49.84 3nkw s ALA 92 Cb -0.05 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.18 3nkw s ALA 92 CO 0.48 -2.05 0.00 -2.39 0.00 0.00 0.00 175.76 171.79 3nkw n HIS 93 N 3.13 0.00 -1.41 0.00 1.44 -1.25 -4.40 115.22 112.73 3nkw n HIS 93 Ca 0.14 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.87 3nkw n HIS 93 Cb 0.37 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.50 3nkw n HIS 93 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3nkw n ALA 94 N -0.40 1.77 0.00 1.59 0.00 -1.26 -5.09 120.51 117.12 3nkw n ALA 94 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.32 3nkw n ALA 94 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.15 3nkw n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nkw n GLY 95 N -0.27 0.83 0.24 0.00 0.00 -1.26 -4.41 105.19 100.32 3nkw n GLY 95 Ca 0.02 -2.03 0.12 0.00 0.00 0.00 0.00 46.02 44.14 3nkw n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nkw h PRO 96 N 0.00 0.00 0.22 1.61 0.14 -2.00 -0.70 132.00 131.28 3nkw h PRO 96 Ca 0.00 0.00 -0.31 0.00 0.14 0.00 0.00 66.00 65.83 3nkw h PRO 96 Cb 0.00 0.00 0.04 0.00 0.14 0.00 0.00 31.00 31.18 3nkw h PRO 96 CO 0.00 0.12 -1.34 1.15 0.14 0.00 0.00 178.00 178.07 3nkw h THR 97 N 0.00 1.32 0.00 1.56 2.02 -2.00 -3.39 112.91 112.41 3nkw h THR 97 Ca -0.00 -2.64 -0.25 0.00 0.77 0.00 0.00 66.41 64.29 3nkw h THR 97 Cb 0.76 3.04 -0.05 0.00 -1.74 0.00 0.00 68.15 70.17 3nkw h THR 97 CO 0.02 0.79 -1.94 0.79 0.37 0.00 0.00 175.52 175.54 3nkw n TRP 98 N -3.80 0.45 -0.13 3.16 7.02 -1.18 -4.39 117.44 118.56 3nkw n TRP 98 Ca -0.16 0.15 -0.05 0.00 -1.02 0.00 0.00 57.50 56.42 3nkw n TRP 98 Cb 1.04 -0.99 0.03 0.00 -2.42 0.00 0.00 31.31 28.98 3nkw n TRP 98 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 3nkw h ASN 99 N 0.00 0.23 0.61 -0.99 2.35 -1.32 -2.29 115.58 114.17 3nkw h ASN 99 Ca -0.32 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 3nkw h ASN 99 Cb 1.84 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.22 3nkw h ASN 99 CO 0.04 0.17 0.00 -0.81 -1.65 0.00 0.00 177.43 175.18 3nkw n PRO 100 N -4.97 0.16 -0.09 0.81 -0.04 -1.26 -3.19 135.00 126.42 3nkw n PRO 100 Ca 0.03 0.43 0.05 0.00 -0.04 0.00 0.00 63.50 63.96 3nkw n PRO 100 Cb 0.14 -1.83 0.09 0.00 -0.04 0.00 0.00 33.50 31.86 3nkw n PRO 100 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3nkw n ILE 101 N -2.14 1.42 -4.07 0.52 -5.35 -0.90 -4.61 119.36 104.24 3nkw n ILE 101 Ca 0.02 -1.50 -0.10 0.00 -0.27 0.00 0.00 62.75 60.90 3nkw n ILE 101 Cb 0.20 0.18 -0.07 0.00 -1.74 0.00 0.00 39.64 38.21 3nkw n ILE 101 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3nkw s SER 102 N -1.70 0.04 -0.11 7.28 1.04 -0.99 -3.31 113.70 115.95 3nkw s SER 102 Ca 0.18 -1.09 -0.03 0.00 0.48 0.00 0.00 55.95 55.49 3nkw s SER 102 Cb 0.14 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 3nkw s SER 102 CO 0.04 -0.97 -0.00 -0.63 0.98 0.00 0.00 173.24 172.66 3nkw s ILE 103 N -4.06 4.27 -0.32 -1.02 1.09 -0.30 -4.75 121.20 116.11 3nkw s ILE 103 Ca 0.27 -0.25 -0.04 0.00 -1.10 0.00 0.00 60.65 59.53 3nkw s ILE 103 Cb 0.03 -2.82 0.04 0.00 -1.06 0.00 0.00 42.46 38.66 3nkw s ILE 103 CO 0.08 0.57 0.06 -0.83 -0.10 0.00 0.00 174.94 174.72 3nkw s GLY 104 N -0.52 1.80 -0.13 6.18 0.00 -1.26 -0.61 107.32 112.79 3nkw s GLY 104 Ca 0.09 -1.76 -0.07 0.00 0.00 0.00 0.00 44.72 42.98 3nkw s GLY 104 CO 0.02 0.74 0.13 -0.26 0.00 0.00 0.00 173.10 173.73 3nkw s ILE 105 N 1.33 5.38 -0.08 0.90 -4.36 -0.95 -1.08 121.20 122.35 3nkw s ILE 105 Ca -0.03 0.16 0.01 0.00 -0.26 0.00 0.00 60.65 60.53 3nkw s ILE 105 Cb -0.20 -3.35 0.02 0.00 1.25 0.00 0.00 42.46 40.18 3nkw s ILE 105 CO 0.01 0.59 -0.08 -0.55 0.24 0.00 0.00 174.94 175.15 3nkw s SER 106 N -0.81 1.69 -0.11 4.36 0.15 -0.77 -1.77 113.70 116.44 3nkw s SER 106 Ca 0.14 -0.24 -0.29 0.00 0.70 0.00 0.00 55.95 56.25 3nkw s SER 106 Cb -0.12 -0.71 -0.01 0.00 -1.71 0.00 0.00 66.02 63.47 3nkw s SER 106 CO 0.03 -0.06 1.00 -0.36 1.20 0.00 0.00 173.24 175.06 3nkw s PHE 107 N 1.17 3.51 -0.50 3.44 0.08 -0.44 -0.73 117.98 124.51 3nkw s PHE 107 Ca -0.06 1.59 -0.28 0.00 0.12 0.00 0.00 56.93 58.30 3nkw s PHE 107 Cb -0.14 -3.19 0.01 0.00 -0.57 0.00 0.00 43.02 39.13 3nkw s PHE 107 CO -0.02 -0.23 1.40 -1.64 -0.10 0.00 0.00 175.22 174.63 3nkw s MET 108 N 2.03 3.43 0.00 0.44 -1.94 -0.65 -1.72 119.30 120.88 3nkw s MET 108 Ca 0.48 0.66 0.00 0.00 -1.71 0.00 0.00 55.69 55.12 3nkw s MET 108 Cb -0.18 -4.07 0.00 0.00 2.01 0.00 0.00 34.83 32.58 3nkw s MET 108 CO 0.18 -1.76 0.00 0.41 -0.01 0.00 0.00 175.02 173.83 3nkw n GLY 109 N 5.17 0.87 3.07 -0.03 0.00 -1.19 -4.30 105.19 108.78 3nkw n GLY 109 Ca 0.14 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 3nkw n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3nkw s ASN 110 N -1.99 4.53 -0.51 1.61 3.84 -1.06 -0.32 114.94 121.05 3nkw s ASN 110 Ca 0.00 -1.50 0.02 0.00 0.21 0.00 0.00 52.86 51.59 3nkw s ASN 110 Cb 0.00 -1.57 0.48 0.00 -0.55 0.00 0.00 41.25 39.61 3nkw s ASN 110 CO 0.00 -0.22 1.75 -1.22 -2.79 0.00 0.00 177.10 174.62 3nkw n TYR 111 N 4.42 2.88 0.09 0.43 4.01 -1.26 -4.38 117.16 123.36 3nkw n TYR 111 Ca -0.11 -2.57 -0.22 0.00 -0.16 0.00 0.00 57.90 54.84 3nkw n TYR 111 Cb 0.42 -1.02 -0.14 0.00 -0.31 0.00 0.00 39.34 38.28 3nkw n TYR 111 CO 0.00 0.00 0.00 1.98 -0.46 0.00 0.00 176.86 178.38 3nkw h MET 112 N 1.85 0.49 -0.89 -0.72 4.05 -1.87 -2.59 114.93 115.25 3nkw h MET 112 Ca 0.51 -0.74 -0.41 0.00 -0.28 0.00 0.00 59.70 58.79 3nkw h MET 112 Cb 1.29 0.26 -0.41 0.00 -0.80 0.00 0.00 31.60 31.94 3nkw h MET 112 CO 1.21 1.34 -1.01 0.09 0.23 0.00 0.00 176.91 178.77 3nkw n ASN 113 N -3.91 2.81 -3.54 1.39 3.02 -1.26 -3.99 115.26 109.78 3nkw n ASN 113 Ca -0.14 -2.91 -0.17 0.00 -0.03 0.00 0.00 54.58 51.32 3nkw n ASN 113 Cb 0.95 -0.46 -0.06 0.00 -0.61 0.00 0.00 39.78 39.59 3nkw n ASN 113 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3nkw s ARG 114 N -3.50 1.02 0.03 3.52 0.52 -1.26 -5.12 118.95 114.15 3nkw s ARG 114 Ca 0.36 0.31 -0.01 0.00 -0.52 0.00 0.00 55.73 55.88 3nkw s ARG 114 Cb 0.40 0.48 -0.04 0.00 0.52 0.00 0.00 34.95 36.31 3nkw s ARG 114 CO -0.03 -0.30 0.18 0.14 0.02 0.00 0.00 175.30 175.31 3nkw s VAL 115 N -1.03 5.29 0.40 3.52 -7.23 -1.26 -4.53 120.40 115.56 3nkw s VAL 115 Ca -0.10 -0.33 -0.23 0.00 -1.81 0.00 0.00 61.98 59.51 3nkw s VAL 115 Cb -0.01 -3.53 -0.10 0.00 0.56 0.00 0.00 36.38 33.31 3nkw s VAL 115 CO 0.09 0.22 0.98 -2.16 -0.31 0.00 0.00 175.10 173.92 3nkw s PRO 116 N -2.23 4.25 0.90 4.82 0.04 -1.26 -5.03 135.00 136.49 3nkw s PRO 116 Ca 0.31 1.28 -0.10 0.00 0.04 0.00 0.00 61.00 62.53 3nkw s PRO 116 Cb -0.13 -2.40 0.13 0.00 0.04 0.00 0.00 34.50 32.15 3nkw s PRO 116 CO 0.23 -0.03 1.12 -1.25 0.04 0.00 0.00 177.00 177.11 3nkw s PRO 117 N -2.77 1.17 0.36 0.56 0.04 -1.26 -4.77 135.00 128.34 3nkw s PRO 117 Ca 0.59 1.34 0.08 0.00 0.04 0.00 0.00 61.00 63.05 3nkw s PRO 117 Cb -0.15 -1.76 0.80 0.00 0.04 0.00 0.00 34.50 33.43 3nkw s PRO 117 CO 0.20 -2.46 1.91 -1.35 0.04 0.00 0.00 177.00 175.34 3nkw h PRO 118 N -1.73 0.68 0.00 0.56 0.11 -1.98 0.40 132.00 130.05 3nkw h PRO 118 Ca -0.45 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3nkw h PRO 118 Cb 1.27 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3nkw h PRO 118 CO 0.46 0.45 -0.11 0.07 -0.21 0.00 0.00 178.00 178.66 3nkw h ARG 119 N 0.70 0.00 0.06 1.05 0.11 -1.94 0.68 114.38 115.05 3nkw h ARG 119 Ca 0.38 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 60.26 3nkw h ARG 119 Cb 0.52 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.62 3nkw h ARG 119 CO -0.15 0.11 -0.83 0.00 0.10 0.00 0.00 179.97 179.19 3nkw h ALA 120 N 1.89 0.01 -0.95 0.08 0.00 -1.13 -1.93 119.26 117.24 3nkw h ALA 120 Ca -0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 3nkw h ALA 120 Cb 0.43 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3nkw h ALA 120 CO 0.01 0.46 0.57 -0.07 0.00 0.00 0.00 179.25 180.22 3nkw h LEU 121 N -0.05 1.15 -0.14 0.00 4.07 -0.93 -1.93 115.31 117.47 3nkw h LEU 121 Ca -0.12 -0.07 -0.04 0.00 0.08 0.00 0.00 57.88 57.73 3nkw h LEU 121 Cb 1.56 -0.29 -0.00 0.00 1.08 0.00 0.00 40.66 43.01 3nkw h LEU 121 CO 0.16 0.88 -0.07 -0.09 -1.08 0.00 0.00 178.44 178.24 3nkw h ARG 122 N 1.31 0.30 -0.55 1.13 2.43 0.29 -2.39 114.38 116.90 3nkw h ARG 122 Ca 0.34 -0.13 0.11 0.00 -0.81 0.00 0.00 59.98 59.49 3nkw h ARG 122 Cb -0.06 -0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 29.38 3nkw h ARG 122 CO -0.06 0.62 -0.25 0.00 -1.51 0.00 0.00 179.97 178.77 3nkw h ALA 123 N 0.66 0.13 -0.57 2.80 0.00 -1.09 -1.69 119.26 119.51 3nkw h ALA 123 Ca 0.03 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3nkw h ALA 123 Cb 0.54 0.62 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3nkw h ALA 123 CO 0.02 -0.58 0.35 0.00 0.00 0.00 0.00 179.25 179.04 3nkw h ALA 124 N 1.22 0.72 -0.44 0.00 0.00 -1.22 -0.80 119.26 118.73 3nkw h ALA 124 Ca 0.25 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 3nkw h ALA 124 Cb 0.51 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3nkw h ALA 124 CO -0.62 0.20 -0.29 1.96 0.00 0.00 0.00 179.25 180.49 3nkw h GLN 125 N 0.76 0.97 0.00 0.00 4.20 -1.05 -2.18 115.11 117.81 3nkw h GLN 125 Ca 0.20 -0.46 -0.07 0.00 0.06 0.00 0.00 58.65 58.38 3nkw h GLN 125 Cb -0.03 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3nkw h GLN 125 CO -0.04 1.12 -0.35 -0.97 -0.67 0.00 0.00 178.83 177.93 3nkw h ASN 126 N 0.81 0.00 -0.16 1.46 -1.24 -1.18 -0.65 115.58 114.62 3nkw h ASN 126 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.10 3nkw h ASN 126 Cb 0.88 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.92 3nkw h ASN 126 CO 0.08 0.35 0.11 0.25 -1.29 0.00 0.00 177.43 176.92 3nkw h LEU 127 N 0.00 0.19 -0.11 0.34 5.85 -0.77 -2.43 115.31 118.38 3nkw h LEU 127 Ca -0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3nkw h LEU 127 Cb 0.64 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 3nkw h LEU 127 CO 0.05 0.14 0.04 -0.07 -0.34 0.00 0.00 178.44 178.26 3nkw h LEU 128 N 0.22 0.15 -0.77 2.25 4.07 -0.74 -1.74 115.31 118.75 3nkw h LEU 128 Ca 0.06 -0.16 0.12 0.00 0.08 0.00 0.00 57.88 57.98 3nkw h LEU 128 Cb -0.02 -0.04 -0.08 0.00 1.08 0.00 0.00 40.66 41.59 3nkw h LEU 128 CO -0.01 0.26 0.36 0.00 -1.08 0.00 0.00 178.44 177.97 3nkw h ALA 129 N 0.89 1.09 0.17 1.53 0.00 -1.10 -1.99 119.26 119.84 3nkw h ALA 129 Ca 0.04 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3nkw h ALA 129 Cb 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3nkw h ALA 129 CO -0.00 -0.11 -0.48 0.00 0.00 0.00 0.00 179.25 178.66 3nkw h GLY 131 N -0.72 0.84 0.88 0.00 0.00 -0.62 0.23 103.07 103.67 3nkw h GLY 131 Ca -0.01 0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.61 3nkw h GLY 131 CO -0.23 -0.41 0.14 -2.08 0.00 0.00 0.00 176.54 173.97 3nkw h VAL 132 N 0.00 0.99 -0.00 4.60 2.07 -0.90 0.59 116.25 123.60 3nkw h VAL 132 Ca 0.50 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.94 3nkw h VAL 132 Cb 0.84 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3nkw h VAL 132 CO -0.98 0.05 -0.09 0.00 0.02 0.00 0.00 177.57 176.57 3nkw h ALA 133 N 1.14 -0.10 0.00 1.67 0.00 0.48 -1.50 119.26 120.95 3nkw h ALA 133 Ca 0.11 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3nkw h ALA 133 Cb 0.03 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3nkw h ALA 133 CO -0.08 -0.58 0.00 -0.07 0.00 0.00 0.00 179.25 178.52 3nkw h LEU 134 N -0.16 0.00 0.00 0.00 3.38 -0.82 -3.46 115.31 114.26 3nkw h LEU 134 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3nkw h LEU 134 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3nkw h LEU 134 CO -0.10 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.04 3nkw n GLY 135 N -1.08 0.71 0.16 0.83 0.00 -0.57 -4.95 105.19 100.29 3nkw n GLY 135 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.03 3nkw n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nkw h ALA 136 N 0.00 0.79 -4.27 4.61 0.00 -1.10 -3.36 119.26 115.93 3nkw h ALA 136 Ca 0.00 -0.40 -0.61 0.00 0.00 0.00 0.00 54.91 53.90 3nkw h ALA 136 Cb 0.00 -0.07 -0.28 0.00 0.00 0.00 0.00 17.79 17.44 3nkw h ALA 136 CO 0.00 0.55 -0.86 -0.51 0.00 0.00 0.00 179.25 178.44 3nkw s LEU 137 N -6.66 2.11 0.42 0.00 1.43 -1.02 -0.24 118.68 114.73 3nkw s LEU 137 Ca 0.03 -0.47 -0.25 0.00 -1.03 0.00 0.00 54.13 52.40 3nkw s LEU 137 Cb 0.09 -1.08 -0.10 0.00 0.03 0.00 0.00 46.19 45.13 3nkw s LEU 137 CO 0.72 0.22 1.21 0.54 0.23 0.00 0.00 176.35 179.27 3nkw n ARG 138 N 2.14 1.78 -0.08 1.70 1.74 -0.29 -4.43 116.66 119.23 3nkw n ARG 138 Ca -0.16 0.64 0.13 0.00 -0.77 0.00 0.00 57.85 57.68 3nkw n ARG 138 Cb 0.53 -2.30 0.52 0.00 -1.02 0.00 0.00 32.46 30.19 3nkw n ARG 138 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3nkw h SER 139 N 1.95 0.34 -1.75 0.55 4.64 -1.91 -2.54 113.55 114.83 3nkw h SER 139 Ca -0.47 0.01 -0.71 0.00 -0.47 0.00 0.00 61.79 60.15 3nkw h SER 139 Cb 1.31 -0.06 -0.32 0.00 -0.31 0.00 0.00 62.40 63.02 3nkw h SER 139 CO 0.59 0.20 0.49 -0.46 -0.87 0.00 0.00 176.83 176.79 3nkw n ASN 140 N -4.47 6.68 -4.72 4.97 6.94 -1.26 -5.02 115.26 118.39 3nkw n ASN 140 Ca 0.10 -3.80 -0.34 0.00 -0.02 0.00 0.00 54.58 50.53 3nkw n ASN 140 Cb 0.41 -0.87 0.10 0.00 -2.36 0.00 0.00 39.78 37.06 3nkw n ASN 140 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 3nkw s TYR 141 N -3.90 2.06 -0.02 -2.53 -0.85 -0.96 -5.04 117.35 106.12 3nkw s TYR 141 Ca 0.52 1.62 0.05 0.00 -0.52 0.00 0.00 57.07 58.74 3nkw s TYR 141 Cb 0.43 -3.42 -0.03 0.00 0.38 0.00 0.00 41.96 39.32 3nkw s TYR 141 CO -0.31 -2.54 -0.17 -1.21 -1.52 0.00 0.00 175.55 169.80 3nkw s GLU 142 N -4.04 2.33 -0.17 -3.49 2.02 -0.59 -4.77 118.70 109.99 3nkw s GLU 142 Ca 0.72 -0.81 -0.06 0.00 0.02 0.00 0.00 54.97 54.84 3nkw s GLU 142 Cb -0.27 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 31.64 3nkw s GLU 142 CO 0.47 0.59 0.04 0.08 0.02 0.00 0.00 175.26 176.46 3nkw s VAL 143 N -0.77 4.64 0.09 2.63 1.01 -0.71 -1.08 120.40 126.22 3nkw s VAL 143 Ca 0.12 -0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.10 3nkw s VAL 143 Cb -0.10 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 3nkw s VAL 143 CO 0.02 0.48 -0.23 -0.54 0.00 0.00 0.00 175.10 174.82 3nkw s LYS 144 N 0.23 1.33 0.45 2.72 -0.14 0.17 -2.67 119.74 121.83 3nkw s LYS 144 Ca 0.03 -1.18 -0.11 0.00 -1.36 0.00 0.00 55.97 53.35 3nkw s LYS 144 Cb -0.13 -1.63 -0.06 0.00 -1.68 0.00 0.00 37.83 34.33 3nkw s LYS 144 CO 0.01 0.39 0.82 0.20 -0.76 0.00 0.00 175.35 176.01 3nkw s GLY 145 N -1.76 1.89 0.43 -3.33 0.00 -1.26 -1.29 107.32 102.00 3nkw s GLY 145 Ca 0.10 -0.17 0.14 0.00 0.00 0.00 0.00 44.72 44.79 3nkw s GLY 145 CO 0.04 0.03 1.97 0.84 0.00 0.00 0.00 173.10 175.98 3nkw h HIS 146 N 0.97 0.44 0.00 1.90 2.76 -1.08 -1.39 115.15 118.76 3nkw h HIS 146 Ca -0.47 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 3nkw h HIS 146 Cb 1.19 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 30.01 3nkw h HIS 146 CO 0.61 0.20 0.00 2.89 -1.30 0.00 0.00 177.93 180.34 3nkw n ARG 147 N -4.47 0.01 0.00 5.26 1.85 -0.53 -1.78 116.66 117.00 3nkw n ARG 147 Ca 0.11 0.09 0.13 0.00 -1.00 0.00 0.00 57.85 57.18 3nkw n ARG 147 Cb 0.40 -1.51 0.43 0.00 -1.05 0.00 0.00 32.46 30.72 3nkw n ARG 147 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3nkw n ASP 148 N -1.53 0.30 0.00 2.89 8.00 -0.52 -4.20 116.55 121.47 3nkw n ASP 148 Ca 0.06 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.60 3nkw n ASP 148 Cb 0.29 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 3nkw n ASP 148 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3nkw n VAL 149 N -1.46 0.00 -3.93 2.53 0.31 -1.08 -5.01 118.33 109.70 3nkw n VAL 149 Ca 0.07 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.31 3nkw n VAL 149 Cb 0.33 -0.46 -0.09 0.00 -0.91 0.00 0.00 33.84 32.72 3nkw n VAL 149 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3nkw s GLN 150 N -1.69 0.68 -0.66 5.55 -0.21 -0.73 -5.03 119.66 117.56 3nkw s GLN 150 Ca 0.00 -0.88 -0.27 0.00 0.02 0.00 0.00 55.36 54.23 3nkw s GLN 150 Cb 0.00 0.27 0.02 0.00 1.00 0.00 0.00 33.01 34.30 3nkw s GLN 150 CO 0.00 -0.18 1.32 -1.25 -2.12 0.00 0.00 175.29 173.06 3nkw s PRO 151 N -3.19 3.25 0.20 2.91 0.04 -1.26 -4.09 135.00 132.86 3nkw s PRO 151 Ca -0.00 0.05 -0.19 0.00 0.04 0.00 0.00 61.00 60.90 3nkw s PRO 151 Cb 0.02 -4.15 0.03 0.00 0.04 0.00 0.00 34.50 30.45 3nkw s PRO 151 CO -0.07 -2.04 0.57 -0.08 0.04 0.00 0.00 177.00 175.42 3nkw s THR 152 N 5.84 0.02 -0.30 1.26 -1.32 -1.26 -5.02 115.64 114.85 3nkw s THR 152 Ca 0.42 -0.68 0.23 0.00 -1.21 0.00 0.00 61.69 60.44 3nkw s THR 152 Cb -0.09 -1.56 0.12 0.00 -1.51 0.00 0.00 72.50 69.46 3nkw s THR 152 CO 0.20 -0.07 1.24 -0.07 -2.21 0.00 0.00 174.62 173.71 3nkw h LEU 153 N 2.12 0.00 -9.25 9.08 3.38 -1.96 -3.42 115.31 115.26 3nkw h LEU 153 Ca -0.28 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.02 3nkw h LEU 153 Cb 1.27 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.10 3nkw h LEU 153 CO 0.35 0.01 0.14 -0.24 0.09 0.00 0.00 178.44 178.79 3nkw n SER 154 N -2.83 0.84 -0.62 -0.43 2.88 -1.26 -0.25 113.62 111.95 3nkw n SER 154 Ca 0.01 1.14 0.06 0.00 -1.33 0.00 0.00 58.87 58.75 3nkw n SER 154 Cb 0.55 -1.15 0.16 0.00 -0.75 0.00 0.00 64.21 63.02 3nkw n SER 154 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3nkw n PRO 155 N 1.58 1.78 0.00 -1.46 -0.04 -1.26 -1.46 135.00 134.15 3nkw n PRO 155 Ca 0.16 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 3nkw n PRO 155 Cb 0.23 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 3nkw n PRO 155 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3nkw n GLY 156 N 1.04 2.61 0.19 0.55 0.00 0.66 -4.27 105.19 105.97 3nkw n GLY 156 Ca 0.11 -1.56 -0.03 0.00 0.00 0.00 0.00 46.02 44.55 3nkw n GLY 156 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3nkw h ASP 157 N 0.00 -0.16 -0.09 1.61 3.32 -1.64 0.34 116.42 119.79 3nkw h ASP 157 Ca 0.00 0.11 -0.20 0.00 0.02 0.00 0.00 57.03 56.96 3nkw h ASP 157 Cb 0.00 0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.75 3nkw h ASP 157 CO 0.00 -0.05 -0.72 0.03 -1.72 0.00 0.00 179.24 176.78 3nkw h ARG 158 N 0.14 0.65 -0.06 3.56 3.08 -1.60 -0.45 114.38 119.70 3nkw h ARG 158 Ca 0.24 -0.58 -0.19 0.00 0.07 0.00 0.00 59.98 59.52 3nkw h ARG 158 Cb 0.35 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 3nkw h ARG 158 CO -0.38 1.19 -0.78 1.25 -1.07 0.00 0.00 179.97 180.18 3nkw h LEU 159 N 0.31 0.50 -0.00 3.04 5.85 -1.64 -0.89 115.31 122.49 3nkw h LEU 159 Ca -0.06 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.33 3nkw h LEU 159 Cb 1.37 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 3nkw h LEU 159 CO 0.15 1.10 -0.09 0.22 -0.34 0.00 0.00 178.44 179.48 3nkw h TYR 160 N 0.27 -0.23 -0.94 1.25 3.20 -0.29 0.78 116.97 121.02 3nkw h TYR 160 Ca -0.04 0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.02 3nkw h TYR 160 Cb 1.38 0.10 -0.11 0.00 1.54 0.00 0.00 36.73 39.64 3nkw h TYR 160 CO 0.05 -0.14 0.52 1.49 -1.64 0.00 0.00 178.16 178.43 3nkw h GLU 161 N -0.16 0.62 -0.28 1.82 4.81 -0.87 -1.60 114.58 118.92 3nkw h GLU 161 Ca 0.04 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 3nkw h GLU 161 Cb 0.20 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3nkw h GLU 161 CO -0.10 0.41 -0.14 0.82 -0.73 0.00 0.00 179.01 179.28 3nkw h ILE 162 N 0.64 1.30 0.00 2.32 1.08 -0.14 -3.28 117.51 119.43 3nkw h ILE 162 Ca 0.55 -1.23 -0.03 0.00 -0.39 0.00 0.00 64.86 63.76 3nkw h ILE 162 Cb 0.89 1.50 -0.00 0.00 -3.07 0.00 0.00 36.82 36.13 3nkw h ILE 162 CO -0.41 0.39 -0.13 0.16 -0.69 0.00 0.00 178.15 177.46 3nkw h ILE 163 N 0.33 0.30 0.00 -0.67 3.07 0.07 -3.01 117.51 117.60 3nkw h ILE 163 Ca 0.06 -0.97 0.00 0.00 1.55 0.00 0.00 64.86 65.50 3nkw h ILE 163 Cb 0.65 1.76 0.00 0.00 -0.27 0.00 0.00 36.82 38.97 3nkw h ILE 163 CO 0.04 0.13 0.00 1.56 -1.05 0.00 0.00 178.15 178.83 3nkw h GLN 164 N 0.00 0.00 0.00 0.16 4.20 -1.47 -2.28 115.11 115.73 3nkw h GLN 164 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3nkw h GLN 164 Cb 0.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.53 3nkw h GLN 164 CO 0.02 0.00 -0.10 0.25 -0.67 0.00 0.00 178.83 178.32 3nkw n THR 165 N -2.61 0.17 -2.17 -0.54 -2.24 -1.13 -4.92 114.28 100.84 3nkw n THR 165 Ca 0.01 -0.09 -0.39 0.00 -2.27 0.00 0.00 64.05 61.32 3nkw n THR 165 Cb 0.25 -0.40 -0.01 0.00 -2.10 0.00 0.00 70.33 68.07 3nkw n THR 165 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3nkw s TRP 166 N -3.04 2.94 0.24 4.78 0.52 -0.86 -4.94 118.94 118.59 3nkw s TRP 166 Ca 0.12 1.48 -0.07 0.00 0.02 0.00 0.00 56.10 57.65 3nkw s TRP 166 Cb 0.17 -3.54 0.43 0.00 -1.15 0.00 0.00 33.47 29.38 3nkw s TRP 166 CO 0.58 -1.72 1.64 1.03 0.02 0.00 0.00 176.95 178.49 3nkw h SER 167 N 2.67 -0.34 0.18 2.95 0.87 -1.92 -2.55 113.55 115.41 3nkw h SER 167 Ca -0.49 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 3nkw h SER 167 Cb 1.24 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 3nkw h SER 167 CO 0.63 -0.18 -0.16 1.41 -0.53 0.00 0.00 176.83 178.00 3nkw n HIS 168 N -5.34 0.00 -1.85 2.24 8.25 -1.26 -4.93 115.22 112.33 3nkw n HIS 168 Ca 0.13 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.21 3nkw n HIS 168 Cb 0.47 -0.09 0.03 0.00 1.12 0.00 0.00 29.99 31.52 3nkw n HIS 168 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3nkw s TYR 169 N -2.34 2.36 -0.19 4.41 5.04 -0.96 -1.73 117.35 123.93 3nkw s TYR 169 Ca 0.29 1.39 -0.09 0.00 -2.44 0.00 0.00 57.07 56.23 3nkw s TYR 169 Cb 0.20 -3.75 0.07 0.00 0.35 0.00 0.00 41.96 38.83 3nkw s TYR 169 CO 0.46 -2.72 0.44 0.50 -1.34 0.00 0.00 175.55 172.88 3nkw s ARG 170 N -2.87 0.39 0.00 4.97 6.06 -1.09 -4.81 118.95 121.60 3nkw s ARG 170 Ca 0.70 0.92 0.00 0.00 -2.50 0.00 0.00 55.73 54.85 3nkw s ARG 170 Cb -0.39 0.13 0.00 0.00 0.06 0.00 0.00 34.95 34.75 3nkw s ARG 170 CO 0.46 -0.19 0.00 0.00 -2.50 0.00 0.00 175.30 173.07