#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nkw n ASP 2 N 0.00 4.78 -3.95 4.31 2.03 -1.26 -4.96 116.55 117.50 3nkw n ASP 2 Ca 0.00 -3.48 -0.30 0.00 0.52 0.00 0.00 54.79 51.53 3nkw n ASP 2 Cb 0.00 -0.85 -0.11 0.00 -0.72 0.00 0.00 41.12 39.44 3nkw n ASP 2 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3nkw s PRO 3 N -2.78 2.59 -0.74 -0.67 0.04 -1.26 -4.31 135.00 127.88 3nkw s PRO 3 Ca 0.38 -3.25 -0.21 0.00 0.04 0.00 0.00 61.00 57.97 3nkw s PRO 3 Cb 0.14 -3.54 0.09 0.00 0.04 0.00 0.00 34.50 31.23 3nkw s PRO 3 CO 0.00 -1.26 0.99 -1.25 0.04 0.00 0.00 177.00 175.53 3nkw s PRO 4 N -1.29 3.27 -0.96 0.56 0.05 -1.26 -4.66 135.00 130.70 3nkw s PRO 4 Ca 0.24 -1.19 -0.08 0.00 0.05 0.00 0.00 61.00 60.03 3nkw s PRO 4 Cb -0.07 -4.47 -0.02 0.00 0.05 0.00 0.00 34.50 29.98 3nkw s PRO 4 CO -0.14 -1.78 0.79 0.00 0.05 0.00 0.00 177.00 175.92 3nkw n ALA 5 N 7.20 -2.54 -1.00 8.56 0.00 -1.26 -4.88 120.51 126.59 3nkw n ALA 5 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3nkw n ALA 5 Cb 0.46 -3.51 0.00 0.00 0.00 0.00 0.00 19.45 16.40 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 0.30 3.07 3.66 0.00 0.00 -1.26 -4.35 105.19 106.61 3nkw n GLY 7 Ca 0.00 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 3nkw n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3nkw s SER 8 N 0.00 5.79 -0.03 1.61 1.04 -1.26 -5.09 113.70 115.77 3nkw s SER 8 Ca 0.00 0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.58 3nkw s SER 8 Cb 0.00 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.13 3nkw s SER 8 CO 0.00 0.18 -0.09 -0.63 0.98 0.00 0.00 173.24 173.68 3nkw s ILE 9 N 0.34 0.81 -0.26 -1.02 1.09 -1.26 -4.55 121.20 116.35 3nkw s ILE 9 Ca 0.05 -0.38 -0.29 0.00 -1.10 0.00 0.00 60.65 58.93 3nkw s ILE 9 Cb -0.12 -0.71 -0.01 0.00 -1.06 0.00 0.00 42.46 40.56 3nkw s ILE 9 CO -0.00 0.25 1.41 -0.69 -0.10 0.00 0.00 174.94 175.81 3nkw s VAL 10 N 0.16 3.99 0.81 2.92 1.01 0.29 -4.90 120.40 124.67 3nkw s VAL 10 Ca -0.03 1.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.96 3nkw s VAL 10 Cb -0.08 -3.99 0.08 0.00 0.00 0.00 0.00 36.38 32.39 3nkw s VAL 10 CO 0.00 -0.40 1.09 -2.84 0.00 0.00 0.00 175.10 172.96 3nkw s PRO 11 N 4.31 1.98 0.21 2.72 0.02 -1.26 -0.63 135.00 142.36 3nkw s PRO 11 Ca 0.62 0.91 -0.14 0.00 0.02 0.00 0.00 61.00 62.40 3nkw s PRO 11 Cb -0.20 -1.88 0.24 0.00 0.02 0.00 0.00 34.50 32.67 3nkw s PRO 11 CO 0.25 -1.76 1.61 0.00 -0.33 0.00 0.00 177.00 176.77 3nkw h ARG 12 N -1.20 -0.04 -0.64 5.54 3.08 -1.94 -2.30 114.38 116.88 3nkw h ARG 12 Ca -0.46 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.67 3nkw h ARG 12 Cb 1.25 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 31.25 3nkw h ARG 12 CO 0.55 -0.02 0.30 -0.09 -1.07 0.00 0.00 179.97 179.63 3nkw h ARG 13 N -0.04 0.51 -0.38 0.04 2.43 -1.93 -2.53 114.38 112.49 3nkw h ARG 13 Ca 0.31 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.36 3nkw h ARG 13 Cb 0.52 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3nkw h ARG 13 CO -0.70 0.34 -0.11 1.49 -1.51 0.00 0.00 179.97 179.48 3nkw h GLU 14 N 0.53 0.67 -0.07 0.20 4.81 -1.78 -2.22 114.58 116.72 3nkw h GLU 14 Ca 0.31 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3nkw h GLU 14 Cb 0.31 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3nkw h GLU 14 CO -0.25 0.77 0.00 -2.67 -0.73 0.00 0.00 179.01 176.12 3nkw n TRP 15 N -4.18 0.08 -2.71 0.92 4.27 -1.17 -4.98 117.44 109.67 3nkw n TRP 15 Ca 0.01 -0.04 -0.08 0.00 -3.89 0.00 0.00 57.50 53.50 3nkw n TRP 15 Cb 0.35 0.00 0.04 0.00 -1.36 0.00 0.00 31.31 30.33 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 0.39 -2.90 -2.71 -2.67 1.74 -0.84 -4.70 116.66 104.97 3nkw n ARG 16 Ca 0.18 0.34 -0.36 0.00 -0.77 0.00 0.00 57.85 57.24 3nkw n ARG 16 Cb 0.38 -3.87 -0.06 0.00 -1.02 0.00 0.00 32.46 27.89 3nkw n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nkw s ALA 17 N -3.14 3.13 0.85 7.54 0.00 -1.07 -5.01 121.76 124.05 3nkw s ALA 17 Ca 0.09 0.55 -0.11 0.00 0.00 0.00 0.00 51.96 52.48 3nkw s ALA 17 Cb -0.04 -3.20 0.11 0.00 0.00 0.00 0.00 23.12 19.98 3nkw s ALA 17 CO 0.30 0.04 1.16 -0.51 0.00 0.00 0.00 175.76 176.74 3nkw s LEU 18 N -2.52 3.00 0.57 0.00 2.01 -1.26 -4.88 118.68 115.61 3nkw s LEU 18 Ca 0.56 2.20 -0.19 0.00 0.01 0.00 0.00 54.13 56.71 3nkw s LEU 18 Cb -0.17 -4.57 -0.04 0.00 0.01 0.00 0.00 46.19 41.41 3nkw s LEU 18 CO 0.22 -2.75 1.19 0.00 1.01 0.00 0.00 176.35 176.02 3nkw s ALA 19 N -2.48 2.60 0.21 4.21 0.00 -1.26 -5.00 121.76 120.05 3nkw s ALA 19 Ca 0.68 0.96 -0.30 0.00 0.00 0.00 0.00 51.96 53.31 3nkw s ALA 19 Cb -0.24 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.37 3nkw s ALA 19 CO 0.54 -1.04 0.93 0.45 0.00 0.00 0.00 175.76 176.64 3nkw s SER 20 N -1.62 7.61 0.00 0.00 0.15 -1.26 -4.90 113.70 113.68 3nkw s SER 20 Ca 0.76 1.91 0.22 0.00 0.70 0.00 0.00 55.95 59.53 3nkw s SER 20 Cb -0.29 -2.60 0.15 0.00 -1.71 0.00 0.00 66.02 61.57 3nkw s SER 20 CO 0.32 0.13 1.18 -0.62 1.20 0.00 0.00 173.24 175.44 3nkw n GLU 21 N 1.70 1.98 -2.46 5.44 -0.58 -0.18 -5.00 120.64 121.54 3nkw n GLU 21 Ca -0.02 -1.70 -0.37 0.00 -0.42 0.00 0.00 57.16 54.66 3nkw n GLU 21 Cb 0.47 -1.42 -0.03 0.00 -0.57 0.00 0.00 31.44 29.89 3nkw n GLU 21 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3nkw n ARG 23 N -0.19 0.00 -2.71 0.00 0.63 -1.26 -5.10 116.66 108.04 3nkw n ARG 23 Ca 0.06 -0.08 -0.39 0.00 -0.92 0.00 0.00 57.85 56.52 3nkw n ARG 23 Cb 0.49 -0.30 -0.06 0.00 0.45 0.00 0.00 32.46 33.04 3nkw n ARG 23 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3nkw s GLU 24 N 0.00 4.75 0.29 -0.14 2.02 -1.26 -5.07 118.70 119.29 3nkw s GLU 24 Ca 0.00 1.51 0.07 0.00 0.02 0.00 0.00 54.97 56.58 3nkw s GLU 24 Cb 0.00 -3.15 -0.03 0.00 0.10 0.00 0.00 34.13 31.04 3nkw s GLU 24 CO 0.00 0.41 0.22 1.03 0.02 0.00 0.00 175.26 176.93 3nkw s ARG 25 N -1.42 2.78 -0.22 1.61 1.81 -1.26 -2.77 118.95 119.47 3nkw s ARG 25 Ca 0.44 -1.19 -0.05 0.00 -1.72 0.00 0.00 55.73 53.20 3nkw s ARG 25 Cb -0.25 -2.48 -0.02 0.00 -0.45 0.00 0.00 34.95 31.74 3nkw s ARG 25 CO 0.32 0.27 0.00 -1.17 -0.68 0.00 0.00 175.30 174.04 3nkw s LEU 26 N -3.89 3.15 0.29 2.53 2.96 0.30 -4.46 118.68 119.56 3nkw s LEU 26 Ca 0.36 -0.29 -0.29 0.00 -0.22 0.00 0.00 54.13 53.69 3nkw s LEU 26 Cb -0.07 -1.82 -0.13 0.00 0.50 0.00 0.00 46.19 44.68 3nkw s LEU 26 CO 0.25 -0.00 1.26 1.07 -1.32 0.00 0.00 176.35 177.61 3nkw n THR 27 N 4.68 1.59 -0.01 3.68 5.66 -1.26 -4.89 114.28 123.74 3nkw n THR 27 Ca -0.17 -0.40 -0.00 0.00 -3.05 0.00 0.00 64.05 60.42 3nkw n THR 27 Cb 0.51 -1.38 -0.00 0.00 -1.55 0.00 0.00 70.33 67.91 3nkw n THR 27 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 3nkw h ARG 28 N 3.02 -0.01 -6.05 1.09 9.65 -1.94 -3.36 114.38 116.79 3nkw h ARG 28 Ca -0.44 0.00 -0.59 0.00 -1.10 0.00 0.00 59.98 57.85 3nkw h ARG 28 Cb 1.30 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.79 3nkw h ARG 28 CO 0.67 -0.00 0.63 -1.25 2.80 0.00 0.00 179.97 182.82 3nkw s PRO 29 N -3.08 4.01 0.07 0.20 0.04 -1.26 -4.54 135.00 130.44 3nkw s PRO 29 Ca -0.00 0.83 -0.12 0.00 0.04 0.00 0.00 61.00 61.75 3nkw s PRO 29 Cb 0.00 -3.74 -0.06 0.00 0.04 0.00 0.00 34.50 30.75 3nkw s PRO 29 CO 0.02 -0.80 0.44 0.08 0.04 0.00 0.00 177.00 176.78 3nkw s VAL 30 N 3.33 5.02 -0.21 -0.36 1.01 0.22 -4.80 120.40 124.61 3nkw s VAL 30 Ca 0.39 0.65 0.06 0.00 0.00 0.00 0.00 61.98 63.08 3nkw s VAL 30 Cb -0.13 -3.69 -0.21 0.00 0.00 0.00 0.00 36.38 32.35 3nkw s VAL 30 CO 0.14 0.36 0.01 -1.14 0.00 0.00 0.00 175.10 174.46 3nkw n ARG 31 N 1.13 0.68 -4.44 2.72 0.63 -1.26 -0.30 116.66 115.81 3nkw n ARG 31 Ca -0.09 0.13 -0.30 0.00 -0.92 0.00 0.00 57.85 56.67 3nkw n ARG 31 Cb 0.52 -1.57 -0.12 0.00 0.45 0.00 0.00 32.46 31.74 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 -2.52 2.53 -0.09 -0.14 2.02 -1.23 -0.32 117.35 117.60 3nkw s TYR 32 Ca -0.24 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.21 3nkw s TYR 32 Cb 0.08 -1.38 0.02 0.00 -0.40 0.00 0.00 41.96 40.27 3nkw s TYR 32 CO 0.71 0.33 -0.12 0.08 -1.57 0.00 0.00 175.55 174.98 3nkw s VAL 33 N -1.06 1.23 -0.21 0.71 1.01 0.20 -1.95 120.40 120.33 3nkw s VAL 33 Ca 0.17 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 3nkw s VAL 33 Cb -0.11 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 3nkw s VAL 33 CO 0.08 0.39 0.01 -0.69 0.00 0.00 0.00 175.10 174.89 3nkw s VAL 34 N 1.01 4.03 -0.23 2.92 1.01 0.98 0.32 120.40 130.44 3nkw s VAL 34 Ca -0.07 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 3nkw s VAL 34 Cb -0.15 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 3nkw s VAL 34 CO -0.01 0.41 0.20 -0.69 0.00 0.00 0.00 175.10 175.02 3nkw s VAL 35 N 1.10 5.33 0.35 2.92 1.01 0.08 -1.98 120.40 129.21 3nkw s VAL 35 Ca 0.03 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.32 3nkw s VAL 35 Cb -0.14 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 3nkw s VAL 35 CO 0.02 0.33 0.08 -0.94 0.00 0.00 0.00 175.10 174.59 3nkw s SER 36 N 1.07 2.46 0.23 3.32 1.04 -0.94 -0.98 113.70 119.91 3nkw s SER 36 Ca 0.10 -1.49 0.11 0.00 0.48 0.00 0.00 55.95 55.15 3nkw s SER 36 Cb -0.14 0.15 -0.05 0.00 0.10 0.00 0.00 66.02 66.09 3nkw s SER 36 CO 0.05 -0.74 -0.20 -1.38 0.98 0.00 0.00 173.24 171.96 3nkw s HIS 37 N -3.30 2.34 -0.15 5.02 -3.43 -1.26 -1.77 115.29 112.75 3nkw s HIS 37 Ca 0.31 -0.33 0.17 0.00 -0.80 0.00 0.00 55.06 54.42 3nkw s HIS 37 Cb 0.06 -1.09 0.24 0.00 -1.43 0.00 0.00 32.58 30.37 3nkw s HIS 37 CO 0.15 0.60 1.53 1.79 -2.00 0.00 0.00 174.74 176.81 3nkw h THR 38 N 2.68 0.70 -0.46 -5.38 1.35 -1.34 -3.47 112.91 106.99 3nkw h THR 38 Ca -0.43 -1.87 -0.20 0.00 -0.55 0.00 0.00 66.41 63.36 3nkw h THR 38 Cb 1.23 2.26 -0.08 0.00 -1.73 0.00 0.00 68.15 69.83 3nkw h THR 38 CO 0.54 0.38 -0.18 0.00 -0.25 0.00 0.00 175.52 176.02 3nkw n ALA 39 N -2.21 -0.15 -2.40 6.62 0.00 0.16 -4.88 120.51 117.66 3nkw n ALA 39 Ca 0.02 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3nkw n ALA 39 Cb 0.66 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 -1.34 4.02 3.77 0.00 0.00 -1.22 -4.75 105.19 105.68 3nkw n GLY 40 Ca -0.10 -2.00 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 3nkw n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nkw s SER 41 N -0.20 6.26 0.58 1.61 0.01 -1.26 -3.51 113.70 117.18 3nkw s SER 41 Ca 0.00 2.25 0.00 0.00 1.31 0.00 0.00 55.95 59.51 3nkw s SER 41 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 3nkw s SER 41 CO 0.00 -0.85 0.00 0.00 0.41 0.00 0.00 173.24 172.80 3nkw n HIS 42 N -0.45 -3.43 -3.64 2.43 -0.00 -1.26 -3.68 115.22 105.18 3nkw n HIS 42 Ca 0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.76 3nkw n HIS 42 Cb 0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.41 3nkw n HIS 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3nkw n ASP 44 N 2.96 0.00 -3.97 0.00 5.68 -1.26 -2.33 116.55 117.63 3nkw n ASP 44 Ca -0.16 -1.19 -0.09 0.00 -0.50 0.00 0.00 54.79 52.85 3nkw n ASP 44 Cb 0.57 -0.04 -0.10 0.00 -1.14 0.00 0.00 41.12 40.41 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 0.00 0.12 0.41 2.12 -4.23 -1.26 -4.33 115.64 108.47 3nkw s THR 45 Ca 0.00 -1.03 0.15 0.00 -1.18 0.00 0.00 61.69 59.63 3nkw s THR 45 Cb 0.00 -0.57 0.36 0.00 1.34 0.00 0.00 72.50 73.63 3nkw s THR 45 CO 0.00 -0.57 1.88 -0.65 -0.54 0.00 0.00 174.62 174.75 3nkw h PRO 46 N 4.21 0.46 0.33 3.99 0.11 -1.98 0.18 132.00 139.30 3nkw h PRO 46 Ca -0.32 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 3nkw h PRO 46 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3nkw h PRO 46 CO 0.46 0.30 -0.16 0.00 -0.21 0.00 0.00 178.00 178.39 3nkw h ALA 47 N 1.62 -0.45 -0.23 -0.75 0.00 -2.00 -1.93 119.26 115.53 3nkw h ALA 47 Ca 0.43 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.97 3nkw h ALA 47 Cb 0.96 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3nkw h ALA 47 CO -0.16 -0.62 -0.62 0.66 0.00 0.00 0.00 179.25 178.50 3nkw h SER 48 N -0.70 0.95 -0.32 0.00 4.64 -1.81 -2.95 113.55 113.35 3nkw h SER 48 Ca -0.05 -0.57 0.06 0.00 -0.47 0.00 0.00 61.79 60.77 3nkw h SER 48 Cb 0.49 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 62.24 3nkw h SER 48 CO 0.07 1.35 -0.09 0.00 -0.87 0.00 0.00 176.83 177.30 3nkw h ALA 50 N 1.30 1.91 -0.24 0.00 0.00 -1.35 -1.93 119.26 118.95 3nkw h ALA 50 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3nkw h ALA 50 Cb 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3nkw h ALA 50 CO -0.33 -0.10 0.06 0.37 0.00 0.00 0.00 179.25 179.24 3nkw h GLN 51 N 0.60 0.38 -0.63 0.00 5.75 -0.96 -2.70 115.11 117.55 3nkw h GLN 51 Ca 0.38 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.79 3nkw h GLN 51 Cb 0.65 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.12 3nkw h GLN 51 CO -0.15 0.49 0.40 1.96 -2.65 0.00 0.00 178.83 178.88 3nkw h GLN 52 N 0.21 0.84 -0.66 1.69 1.08 -0.97 -1.49 115.11 115.81 3nkw h GLN 52 Ca 0.08 -0.06 0.14 0.00 -1.45 0.00 0.00 58.65 57.35 3nkw h GLN 52 Cb 0.27 -0.18 -0.11 0.00 -0.05 0.00 0.00 27.48 27.42 3nkw h GLN 52 CO 0.00 0.57 0.05 0.00 -0.95 0.00 0.00 178.83 178.51 3nkw h ALA 53 N 1.21 0.71 -0.21 3.87 0.00 -1.26 -0.65 119.26 122.94 3nkw h ALA 53 Ca 0.23 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 3nkw h ALA 53 Cb -0.06 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3nkw h ALA 53 CO -0.05 -0.38 0.00 1.96 0.00 0.00 0.00 179.25 180.79 3nkw h GLN 54 N 0.16 0.37 -0.73 0.00 4.20 -1.07 -1.05 115.11 116.98 3nkw h GLN 54 Ca 0.35 -0.12 0.16 0.00 0.06 0.00 0.00 58.65 59.10 3nkw h GLN 54 Cb 0.58 -0.03 -0.11 0.00 0.30 0.00 0.00 27.48 28.22 3nkw h GLN 54 CO -0.53 0.56 0.20 -0.91 -0.67 0.00 0.00 178.83 177.49 3nkw h ASN 55 N 0.13 0.07 -0.06 1.46 -0.26 -0.62 0.64 115.58 116.94 3nkw h ASN 55 Ca 0.06 0.14 -0.01 0.00 -0.56 0.00 0.00 56.30 55.93 3nkw h ASN 55 Cb 0.40 0.17 -0.00 0.00 -1.06 0.00 0.00 38.32 37.83 3nkw h ASN 55 CO 0.01 -0.01 -0.01 0.58 -1.06 0.00 0.00 177.43 176.94 3nkw h VAL 56 N 0.30 1.27 -0.57 2.81 2.07 -0.99 -0.74 116.25 120.40 3nkw h VAL 56 Ca 0.41 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 3nkw h VAL 56 Cb 0.69 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 3nkw h VAL 56 CO -0.49 0.23 0.36 -0.61 0.02 0.00 0.00 177.57 177.08 3nkw h GLN 57 N -0.21 0.77 -0.50 1.57 4.15 -0.65 -1.95 115.11 118.28 3nkw h GLN 57 Ca 0.02 -0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.44 3nkw h GLN 57 Cb 0.37 -0.17 -0.06 0.00 0.21 0.00 0.00 27.48 27.84 3nkw h GLN 57 CO 0.00 0.54 0.18 1.03 -1.93 0.00 0.00 178.83 178.65 3nkw h SER 58 N 0.77 0.17 -0.31 -0.69 0.87 0.39 0.87 113.55 115.63 3nkw h SER 58 Ca 0.21 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.78 3nkw h SER 58 Cb -0.04 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3nkw h SER 58 CO -0.04 0.13 0.04 0.22 -0.53 0.00 0.00 176.83 176.64 3nkw h TYR 59 N 0.35 0.64 -0.17 2.24 3.20 -0.62 0.07 116.97 122.68 3nkw h TYR 59 Ca 0.24 -0.06 -0.20 0.00 3.14 0.00 0.00 58.73 61.85 3nkw h TYR 59 Cb 0.26 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.35 3nkw h TYR 59 CO -0.17 0.59 -0.71 0.45 -1.64 0.00 0.00 178.16 176.68 3nkw h HIS 60 N 0.59 0.95 0.03 -3.82 3.86 -0.45 -2.64 115.15 113.67 3nkw h HIS 60 Ca 0.13 -0.40 -0.24 0.00 -1.16 0.00 0.00 60.37 58.70 3nkw h HIS 60 Cb 0.32 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.61 3nkw h HIS 60 CO 0.01 1.21 -1.30 0.28 0.86 0.00 0.00 177.93 178.99 3nkw h VAL 61 N 0.50 0.95 0.10 2.45 2.07 -0.70 -1.25 116.25 120.37 3nkw h VAL 61 Ca -0.03 -2.24 -0.26 0.00 0.82 0.00 0.00 66.70 64.99 3nkw h VAL 61 Cb 1.32 2.41 0.03 0.00 -1.52 0.00 0.00 31.29 33.53 3nkw h VAL 61 CO 0.14 0.47 -1.07 0.03 0.02 0.00 0.00 177.57 177.16 3nkw h ARG 62 N -0.75 0.56 0.05 1.57 2.47 -1.13 -2.65 114.38 114.50 3nkw h ARG 62 Ca -0.33 -0.73 -0.37 0.00 -1.26 0.00 0.00 59.98 57.29 3nkw h ARG 62 Cb 1.45 0.24 -0.04 0.00 -1.65 0.00 0.00 29.97 29.96 3nkw h ARG 62 CO -0.12 1.32 -2.13 0.09 0.56 0.00 0.00 179.97 179.69 3nkw n ASN 63 N -3.91 2.02 -0.71 7.04 3.02 -1.02 -4.31 115.26 117.39 3nkw n ASN 63 Ca -0.13 0.14 0.12 0.00 -0.03 0.00 0.00 54.58 54.69 3nkw n ASN 63 Cb 0.91 -0.72 0.21 0.00 -0.61 0.00 0.00 39.78 39.56 3nkw n ASN 63 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3nkw n LEU 64 N -3.65 2.31 -4.03 3.41 4.77 -1.07 -4.98 117.00 113.77 3nkw n LEU 64 Ca -0.40 -0.78 -0.33 0.00 -0.03 0.00 0.00 56.01 54.47 3nkw n LEU 64 Cb 0.95 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 42.03 3nkw n LEU 64 CO 0.28 0.39 0.02 0.61 -1.33 0.00 0.00 177.39 177.37 3nkw n GLY 65 N 1.32 -0.47 3.80 -0.72 0.00 -1.00 -4.95 105.19 103.17 3nkw n GLY 65 Ca 0.14 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.24 2.87 0.21 1.61 0.51 -0.50 -4.97 118.94 115.41 3nkw s TRP 66 Ca 0.69 1.29 0.27 0.00 -2.12 0.00 0.00 56.10 56.23 3nkw s TRP 66 Cb -0.37 -3.03 1.16 0.00 -0.81 0.00 0.00 33.47 30.42 3nkw s TRP 66 CO 0.85 -1.64 1.92 0.00 -0.51 0.00 0.00 176.95 177.58 3nkw s ASP 68 N -6.07 -0.05 0.17 0.00 2.15 -1.26 -1.01 116.67 110.59 3nkw s ASP 68 Ca -0.00 -0.51 -0.30 0.00 0.43 0.00 0.00 52.55 52.16 3nkw s ASP 68 Cb 0.11 0.44 -0.17 0.00 -0.30 0.00 0.00 42.92 42.99 3nkw s ASP 68 CO 0.60 -0.85 0.65 0.55 -0.17 0.00 0.00 175.17 175.95 3nkw n VAL 69 N -0.62 1.62 0.21 1.11 3.14 -1.26 -4.68 118.33 117.84 3nkw n VAL 69 Ca -0.04 -0.40 0.07 0.00 -2.96 0.00 0.00 64.34 61.00 3nkw n VAL 69 Cb 0.60 -0.06 0.46 0.00 -1.06 0.00 0.00 33.84 33.79 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 1.45 0.00 -2.82 7.55 0.00 -1.92 -3.41 103.07 103.92 3nkw h GLY 70 Ca -0.33 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.51 3nkw h GLY 70 CO 0.59 0.00 -0.14 -0.19 0.00 0.00 0.00 176.54 176.79 3nkw s TYR 71 N -3.96 3.50 0.07 5.60 2.02 -1.26 -0.76 117.35 122.56 3nkw s TYR 71 Ca -0.02 0.50 -0.08 0.00 -0.37 0.00 0.00 57.07 57.11 3nkw s TYR 71 Cb 0.13 -2.01 -0.27 0.00 -0.40 0.00 0.00 41.96 39.40 3nkw s TYR 71 CO 0.67 0.10 1.13 -0.91 -1.57 0.00 0.00 175.55 174.97 3nkw h ASN 72 N 1.06 0.58 -4.54 2.29 2.35 -1.35 -0.51 115.58 115.46 3nkw h ASN 72 Ca -0.49 -0.59 -0.13 0.00 -0.55 0.00 0.00 56.30 54.54 3nkw h ASN 72 Cb 1.21 -0.19 -0.22 0.00 0.05 0.00 0.00 38.32 39.17 3nkw h ASN 72 CO 0.63 1.44 -0.34 -0.36 -1.65 0.00 0.00 177.43 177.15 3nkw s PHE 73 N -2.76 -0.20 0.06 1.19 0.08 -1.13 -0.90 117.98 114.32 3nkw s PHE 73 Ca -0.06 0.41 0.08 0.00 0.12 0.00 0.00 56.93 57.48 3nkw s PHE 73 Cb 0.06 0.08 -0.03 0.00 -0.57 0.00 0.00 43.02 42.56 3nkw s PHE 73 CO 0.90 -0.28 -0.20 -0.51 -0.10 0.00 0.00 175.22 175.03 3nkw s LEU 74 N -0.76 2.56 -0.05 -0.37 1.02 -0.64 -1.37 118.68 119.07 3nkw s LEU 74 Ca -0.08 -0.49 0.06 0.00 0.02 0.00 0.00 54.13 53.64 3nkw s LEU 74 Cb -0.04 -1.48 -0.01 0.00 0.02 0.00 0.00 46.19 44.68 3nkw s LEU 74 CO 0.02 0.24 -0.25 -0.63 0.02 0.00 0.00 176.35 175.75 3nkw s ILE 75 N -0.96 2.03 0.27 -0.59 1.09 0.24 0.02 121.20 123.31 3nkw s ILE 75 Ca 0.15 -1.06 0.08 0.00 -1.10 0.00 0.00 60.65 58.72 3nkw s ILE 75 Cb -0.10 -1.71 -0.04 0.00 -1.06 0.00 0.00 42.46 39.54 3nkw s ILE 75 CO 0.06 0.56 0.12 -0.83 -0.10 0.00 0.00 174.94 174.76 3nkw s GLY 76 N -0.19 1.58 0.00 6.18 0.00 -0.44 -0.65 107.32 113.80 3nkw s GLY 76 Ca -0.03 -1.56 0.26 0.00 0.00 0.00 0.00 44.72 43.39 3nkw s GLY 76 CO 0.03 -1.59 1.93 1.18 0.00 0.00 0.00 173.10 174.65 3nkw n GLU 77 N -1.09 1.18 -0.05 2.90 1.02 -0.98 -2.08 120.64 121.54 3nkw n GLU 77 Ca -0.06 -0.26 0.08 0.00 -0.02 0.00 0.00 57.16 56.90 3nkw n GLU 77 Cb 0.59 -1.42 0.39 0.00 -0.02 0.00 0.00 31.44 30.97 3nkw n GLU 77 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3nkw n ASP 78 N -0.62 0.82 -0.02 1.62 5.75 -1.22 -4.62 116.55 118.26 3nkw n ASP 78 Ca 0.19 -1.64 -0.00 0.00 -0.01 0.00 0.00 54.79 53.33 3nkw n ASP 78 Cb 0.16 -0.06 -0.00 0.00 -1.03 0.00 0.00 41.12 40.18 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 0.92 0.36 3.79 6.12 0.00 -0.88 -4.86 105.19 110.64 3nkw n GLY 79 Ca 0.13 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.07 3.77 -0.15 0.99 1.43 -1.26 -4.72 118.68 118.67 3nkw s LEU 80 Ca 0.00 -0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 52.87 3nkw s LEU 80 Cb 0.00 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 3nkw s LEU 80 CO 0.00 0.05 0.04 -0.69 0.23 0.00 0.00 176.35 175.97 3nkw s VAL 81 N -1.84 4.59 -0.17 -1.59 1.01 -1.26 -1.32 120.40 119.80 3nkw s VAL 81 Ca 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.14 3nkw s VAL 81 Cb -0.09 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 3nkw s VAL 81 CO 0.23 0.51 -0.05 -0.31 0.00 0.00 0.00 175.10 175.49 3nkw s TYR 82 N -0.02 2.97 0.07 5.22 2.02 0.10 -0.55 117.35 127.17 3nkw s TYR 82 Ca 0.05 -0.54 -0.31 0.00 -0.37 0.00 0.00 57.07 55.90 3nkw s TYR 82 Cb -0.12 -1.99 -0.08 0.00 -0.40 0.00 0.00 41.96 39.36 3nkw s TYR 82 CO 0.01 -0.22 1.63 -2.00 -1.57 0.00 0.00 175.55 173.40 3nkw s GLU 83 N 0.73 4.21 0.00 -0.62 2.12 0.20 -1.62 118.70 123.71 3nkw s GLU 83 Ca -0.02 2.31 0.00 0.00 0.36 0.00 0.00 54.97 57.61 3nkw s GLU 83 Cb -0.15 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.69 3nkw s GLU 83 CO 0.02 -0.71 0.00 0.41 -0.54 0.00 0.00 175.26 174.44 3nkw n GLY 84 N 3.95 1.16 0.24 -1.50 0.00 -0.72 -4.54 105.19 103.77 3nkw n GLY 84 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 3nkw n GLY 84 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3nkw h ARG 85 N 0.00 0.00 0.00 1.61 3.08 -0.81 -3.48 114.38 114.78 3nkw h ARG 85 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3nkw h ARG 85 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3nkw h ARG 85 CO 0.00 0.17 0.00 0.41 -1.07 0.00 0.00 179.97 179.48 3nkw n GLY 86 N -0.51 -1.76 0.13 0.04 0.00 -0.08 -4.02 105.19 98.98 3nkw n GLY 86 Ca -0.01 -1.64 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 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 0.44 0.00 1.61 4.06 -1.94 -3.38 115.95 116.73 3nkw h TRP 87 Ca 0.00 -0.26 -0.29 0.00 2.06 0.00 0.00 58.89 60.40 3nkw h TRP 87 Cb 0.00 -0.04 -0.05 0.00 -1.00 0.00 0.00 29.16 28.07 3nkw h TRP 87 CO 0.00 1.12 -1.70 0.09 -3.56 0.00 0.00 178.44 174.39 3nkw n ASN 88 N -3.64 0.86 -4.78 -3.49 3.02 -1.26 -4.84 115.26 101.13 3nkw n ASN 88 Ca -0.06 0.41 -0.37 0.00 -0.03 0.00 0.00 54.58 54.53 3nkw n ASN 88 Cb 0.88 -0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.96 3nkw n ASN 88 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3nkw s ILE 89 N -2.62 5.21 0.08 2.41 1.09 -1.26 -0.54 121.20 125.58 3nkw s ILE 89 Ca -0.05 0.67 -0.31 0.00 -1.10 0.00 0.00 60.65 59.87 3nkw s ILE 89 Cb 0.08 -3.66 -0.08 0.00 -1.06 0.00 0.00 42.46 37.74 3nkw s ILE 89 CO 0.82 0.47 1.56 -0.75 -0.10 0.00 0.00 174.94 176.95 3nkw s LYS 90 N -0.23 4.23 0.16 2.79 2.20 -1.11 -4.69 119.74 123.09 3nkw s LYS 90 Ca 0.20 2.24 -0.02 0.00 -0.36 0.00 0.00 55.97 58.03 3nkw s LYS 90 Cb -0.14 -3.48 0.04 0.00 -1.51 0.00 0.00 37.83 32.73 3nkw s LYS 90 CO 0.08 -0.65 0.22 0.41 -0.36 0.00 0.00 175.35 175.05 3nkw n GLY 91 N 3.84 -0.83 2.44 5.54 0.00 -1.26 -4.95 105.19 109.97 3nkw n GLY 91 Ca 0.15 -1.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.15 3nkw n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nkw s ALA 92 N -3.78 1.05 0.00 4.61 0.00 0.06 -4.88 121.76 118.82 3nkw s ALA 92 Ca 0.13 -2.02 0.00 0.00 0.00 0.00 0.00 51.96 50.07 3nkw s ALA 92 Cb -0.00 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.52 3nkw s ALA 92 CO 0.09 -2.07 0.00 -2.39 0.00 0.00 0.00 175.76 171.39 3nkw n HIS 93 N 3.72 0.00 -2.23 0.00 1.44 -1.26 -4.59 115.22 112.30 3nkw n HIS 93 Ca 0.17 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.86 3nkw n HIS 93 Cb 0.40 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.48 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 0.00 3.02 0.00 1.59 0.00 -1.26 -5.06 120.51 118.79 3nkw n ALA 94 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 52.00 3nkw n ALA 94 Cb 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 0.23 -0.55 0.05 0.00 0.00 -1.26 -4.09 105.19 99.57 3nkw n GLY 95 Ca -0.11 -1.59 0.07 0.00 0.00 0.00 0.00 46.02 44.40 3nkw n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3nkw n PRO 96 N -0.15 0.06 -0.09 1.61 -0.04 -1.26 -0.85 135.00 134.29 3nkw n PRO 96 Ca 0.00 0.38 -0.11 0.00 -0.04 0.00 0.00 63.50 63.73 3nkw n PRO 96 Cb 0.00 -1.64 -0.15 0.00 -0.04 0.00 0.00 33.50 31.67 3nkw n PRO 96 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3nkw n THR 97 N -1.77 1.46 0.08 0.52 5.66 -1.26 -4.51 114.28 114.46 3nkw n THR 97 Ca 0.02 -0.80 0.08 0.00 -3.05 0.00 0.00 64.05 60.31 3nkw n THR 97 Cb 0.14 -0.75 -0.12 0.00 -1.55 0.00 0.00 70.33 68.04 3nkw n THR 97 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 3nkw n TRP 98 N -2.91 0.00 -0.06 1.09 7.02 -0.93 -4.61 117.44 117.04 3nkw n TRP 98 Ca -0.32 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.14 3nkw n TRP 98 Cb 1.11 -0.33 0.26 0.00 -2.42 0.00 0.00 31.31 29.93 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 0.62 0.67 -0.99 2.35 -1.22 -2.89 115.58 114.12 3nkw h ASN 99 Ca 0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3nkw h ASN 99 Cb 0.71 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.92 3nkw h ASN 99 CO 0.00 0.64 0.00 -2.65 -1.65 0.00 0.00 177.43 173.77 3nkw n PRO 100 N -4.29 0.02 0.00 0.81 -0.02 -1.26 -4.09 135.00 126.16 3nkw n PRO 100 Ca 0.03 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3nkw n PRO 100 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3nkw n PRO 100 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3nkw n ILE 101 N -1.49 0.37 -4.20 4.25 -6.64 -1.13 -4.60 119.36 105.92 3nkw n ILE 101 Ca 0.05 -0.38 -0.12 0.00 -1.77 0.00 0.00 62.75 60.53 3nkw n ILE 101 Cb 0.23 0.85 -0.10 0.00 -1.44 0.00 0.00 39.64 39.18 3nkw n ILE 101 CO 0.00 0.00 0.00 -0.94 -1.77 0.00 0.00 176.55 173.84 3nkw s SER 102 N -0.37 0.34 -0.18 7.28 1.04 -1.10 -3.49 113.70 117.21 3nkw s SER 102 Ca 0.00 -1.33 -0.06 0.00 0.48 0.00 0.00 55.95 55.04 3nkw s SER 102 Cb 0.00 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 3nkw s SER 102 CO 0.00 -0.79 0.04 -0.63 0.98 0.00 0.00 173.24 172.84 3nkw s ILE 103 N -4.07 4.51 -0.31 -1.02 1.01 -0.82 -4.75 121.20 115.75 3nkw s ILE 103 Ca 0.34 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.75 3nkw s ILE 103 Cb 0.07 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 3nkw s ILE 103 CO 0.09 0.46 0.18 -0.83 0.00 0.00 0.00 174.94 174.84 3nkw s GLY 104 N 0.45 1.91 -0.09 6.18 0.00 -1.26 -0.02 107.32 114.49 3nkw s GLY 104 Ca 0.01 -1.28 -0.01 0.00 0.00 0.00 0.00 44.72 43.44 3nkw s GLY 104 CO 0.01 0.69 -0.03 -0.26 0.00 0.00 0.00 173.10 173.51 3nkw s ILE 105 N 1.69 4.03 -0.05 0.90 -4.36 -0.84 -0.98 121.20 121.59 3nkw s ILE 105 Ca 0.06 -0.35 0.04 0.00 -0.26 0.00 0.00 60.65 60.13 3nkw s ILE 105 Cb -0.17 -2.68 0.00 0.00 1.25 0.00 0.00 42.46 40.86 3nkw s ILE 105 CO 0.09 0.59 -0.15 -0.55 0.24 0.00 0.00 174.94 175.16 3nkw s SER 106 N -0.72 1.94 0.03 4.36 0.15 -0.47 -2.21 113.70 116.78 3nkw s SER 106 Ca 0.11 -0.32 -0.28 0.00 0.70 0.00 0.00 55.95 56.16 3nkw s SER 106 Cb -0.11 -0.62 -0.04 0.00 -1.71 0.00 0.00 66.02 63.53 3nkw s SER 106 CO 0.02 0.11 0.89 -0.36 1.20 0.00 0.00 173.24 175.10 3nkw s PHE 107 N 0.20 3.71 -0.55 3.44 0.08 -0.73 -0.59 117.98 123.55 3nkw s PHE 107 Ca -0.06 1.61 -0.28 0.00 0.12 0.00 0.00 56.93 58.32 3nkw s PHE 107 Cb -0.12 -2.99 0.03 0.00 -0.57 0.00 0.00 43.02 39.37 3nkw s PHE 107 CO 0.02 0.13 1.22 -1.64 -0.10 0.00 0.00 175.22 174.86 3nkw s MET 108 N 0.44 3.54 0.00 0.44 -1.94 0.17 -1.91 119.30 120.04 3nkw s MET 108 Ca 0.45 0.39 0.00 0.00 -1.71 0.00 0.00 55.69 54.82 3nkw s MET 108 Cb -0.21 -4.00 0.00 0.00 2.01 0.00 0.00 34.83 32.63 3nkw s MET 108 CO 0.26 -1.64 0.00 0.41 -0.01 0.00 0.00 175.02 174.04 3nkw n GLY 109 N 5.04 -0.25 2.89 -0.03 0.00 -1.24 -4.42 105.19 107.18 3nkw n GLY 109 Ca 0.10 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.03 3.91 -0.44 1.61 3.84 -1.23 0.41 114.94 121.00 3nkw s ASN 110 Ca 0.00 -1.35 0.04 0.00 0.21 0.00 0.00 52.86 51.77 3nkw s ASN 110 Cb 0.00 -1.12 0.65 0.00 -0.55 0.00 0.00 41.25 40.22 3nkw s ASN 110 CO 0.00 -0.29 1.88 -1.22 -2.79 0.00 0.00 177.10 174.68 3nkw n TYR 111 N 4.69 2.89 0.14 0.43 4.01 -1.26 -4.49 117.16 123.56 3nkw n TYR 111 Ca -0.08 -1.87 -0.14 0.00 -0.16 0.00 0.00 57.90 55.65 3nkw n TYR 111 Cb 0.44 -0.92 -0.08 0.00 -0.31 0.00 0.00 39.34 38.47 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 1.04 -0.31 -1.47 -0.72 4.05 -1.83 -1.09 114.93 114.59 3nkw h MET 112 Ca 0.60 0.02 -0.42 0.00 -0.28 0.00 0.00 59.70 59.62 3nkw h MET 112 Cb 2.69 0.07 -0.40 0.00 -0.80 0.00 0.00 31.60 33.16 3nkw h MET 112 CO 1.05 -0.11 -1.18 0.27 0.23 0.00 0.00 176.91 177.17 3nkw n ASN 113 N -5.17 1.27 -3.61 1.39 0.23 -1.26 -3.57 115.26 104.54 3nkw n ASN 113 Ca -0.09 -2.88 -0.15 0.00 -0.53 0.00 0.00 54.58 50.93 3nkw n ASN 113 Cb 0.19 -0.57 -0.07 0.00 -2.08 0.00 0.00 39.78 37.25 3nkw n ASN 113 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 3nkw s ARG 114 N -2.83 0.87 -0.04 -3.83 3.52 -1.26 -5.07 118.95 110.32 3nkw s ARG 114 Ca 0.33 0.73 0.00 0.00 -0.13 0.00 0.00 55.73 56.67 3nkw s ARG 114 Cb 0.41 0.42 -0.03 0.00 -1.56 0.00 0.00 34.95 34.18 3nkw s ARG 114 CO -0.02 -0.16 -0.02 0.54 -0.81 0.00 0.00 175.30 174.83 3nkw s VAL 115 N -0.12 4.09 0.55 7.11 0.11 -1.26 -4.45 120.40 126.43 3nkw s VAL 115 Ca -0.03 -0.48 -0.18 0.00 -2.93 0.00 0.00 61.98 58.35 3nkw s VAL 115 Cb -0.03 -2.76 -0.05 0.00 -1.53 0.00 0.00 36.38 32.00 3nkw s VAL 115 CO 0.04 0.49 1.06 -2.84 -3.33 0.00 0.00 175.10 170.51 3nkw s PRO 116 N -1.22 3.46 0.61 1.54 0.02 -1.26 -5.02 135.00 133.14 3nkw s PRO 116 Ca 0.16 1.33 -0.15 0.00 0.02 0.00 0.00 61.00 62.36 3nkw s PRO 116 Cb -0.11 -2.05 -0.03 0.00 0.02 0.00 0.00 34.50 32.34 3nkw s PRO 116 CO 0.06 -0.71 1.07 -1.25 -0.33 0.00 0.00 177.00 175.84 3nkw s PRO 117 N -3.67 3.18 0.30 5.54 0.04 -1.26 -4.86 135.00 134.27 3nkw s PRO 117 Ca 0.66 1.24 0.05 0.00 0.04 0.00 0.00 61.00 63.00 3nkw s PRO 117 Cb -0.17 -2.01 0.76 0.00 0.04 0.00 0.00 34.50 33.12 3nkw s PRO 117 CO 0.30 -0.93 1.71 -1.35 0.04 0.00 0.00 177.00 176.77 3nkw h PRO 118 N 0.30 0.46 0.00 0.56 0.11 -1.98 -0.83 132.00 130.62 3nkw h PRO 118 Ca -0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3nkw h PRO 118 Cb 1.23 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3nkw h PRO 118 CO 0.57 0.30 -0.16 0.07 -0.21 0.00 0.00 178.00 178.57 3nkw h ARG 119 N 0.47 0.00 -0.36 1.05 0.11 -1.93 -0.50 114.38 113.22 3nkw h ARG 119 Ca 0.58 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.52 3nkw h ARG 119 Cb 1.08 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.16 3nkw h ARG 119 CO -0.50 0.16 -0.32 0.00 0.10 0.00 0.00 179.97 179.41 3nkw h ALA 120 N 1.84 0.52 -0.58 0.08 0.00 -1.37 -2.12 119.26 117.63 3nkw h ALA 120 Ca -0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 3nkw h ALA 120 Cb 0.31 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3nkw h ALA 120 CO 0.02 0.57 -0.04 -0.07 0.00 0.00 0.00 179.25 179.73 3nkw h LEU 121 N 0.64 1.04 -1.00 0.00 3.38 -1.21 -2.38 115.31 115.78 3nkw h LEU 121 Ca 0.06 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 3nkw h LEU 121 Cb 0.90 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3nkw h LEU 121 CO 0.08 1.11 -0.12 -0.09 0.09 0.00 0.00 178.44 179.51 3nkw h ARG 122 N 0.95 0.58 -0.47 1.13 2.43 -1.13 -1.96 114.38 115.91 3nkw h ARG 122 Ca 0.16 -0.18 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 3nkw h ARG 122 Cb 0.60 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 3nkw h ARG 122 CO 0.04 0.69 -0.05 0.00 -1.51 0.00 0.00 179.97 179.14 3nkw h ALA 123 N 1.34 0.65 -0.10 2.80 0.00 -1.01 -1.05 119.26 121.88 3nkw h ALA 123 Ca 0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3nkw h ALA 123 Cb 0.53 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3nkw h ALA 123 CO 0.03 0.49 0.02 0.00 0.00 0.00 0.00 179.25 179.80 3nkw h ALA 124 N 0.90 0.13 -0.59 0.00 0.00 -1.20 0.09 119.26 118.59 3nkw h ALA 124 Ca 0.13 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3nkw h ALA 124 Cb 0.58 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3nkw h ALA 124 CO 0.03 -0.24 0.16 1.96 0.00 0.00 0.00 179.25 181.17 3nkw h GLN 125 N -0.05 0.94 -0.63 0.00 4.20 -1.35 -2.20 115.11 116.02 3nkw h GLN 125 Ca 0.03 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 3nkw h GLN 125 Cb 0.25 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 3nkw h GLN 125 CO 0.00 0.86 0.31 -0.97 -0.67 0.00 0.00 178.83 178.35 3nkw h ASN 126 N 0.85 0.82 -0.97 1.46 -1.24 -1.13 -1.18 115.58 114.19 3nkw h ASN 126 Ca 0.19 -0.13 0.07 0.00 0.71 0.00 0.00 56.30 57.14 3nkw h ASN 126 Cb 0.33 -0.21 -0.07 0.00 0.73 0.00 0.00 38.32 39.10 3nkw h ASN 126 CO -0.00 0.72 0.62 0.25 -1.29 0.00 0.00 177.43 177.73 3nkw h LEU 127 N 0.86 0.97 -0.15 0.34 5.85 -0.47 -0.16 115.31 122.56 3nkw h LEU 127 Ca 0.22 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.80 3nkw h LEU 127 Cb 0.11 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3nkw h LEU 127 CO -0.03 0.61 -0.49 -0.07 -0.34 0.00 0.00 178.44 178.12 3nkw h LEU 128 N 1.09 0.69 -1.10 2.25 3.38 -1.10 -2.06 115.31 118.47 3nkw h LEU 128 Ca 0.42 -0.60 0.10 0.00 0.09 0.00 0.00 57.88 57.89 3nkw h LEU 128 Cb 0.23 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 3nkw h LEU 128 CO -0.17 1.17 0.61 0.00 0.09 0.00 0.00 178.44 180.14 3nkw h ALA 129 N 0.54 1.56 -0.22 1.53 0.00 -0.44 0.34 119.26 122.57 3nkw h ALA 129 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3nkw h ALA 129 Cb 1.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3nkw h ALA 129 CO 0.10 0.24 -0.19 0.00 0.00 0.00 0.00 179.25 179.40 3nkw h GLY 131 N 0.94 1.36 2.00 0.00 0.00 0.41 -1.37 103.07 106.42 3nkw h GLY 131 Ca 0.06 -0.48 -0.15 0.00 0.00 0.00 0.00 47.33 46.76 3nkw h GLY 131 CO 0.04 0.44 -0.70 -0.39 0.00 0.00 0.00 176.54 175.93 3nkw h VAL 132 N 1.24 1.22 -0.71 4.60 -1.51 -1.38 -0.71 116.25 119.00 3nkw h VAL 132 Ca 0.36 -2.68 -0.02 0.00 -1.23 0.00 0.00 66.70 63.14 3nkw h VAL 132 Cb -0.07 2.57 -0.03 0.00 -2.13 0.00 0.00 31.29 31.63 3nkw h VAL 132 CO -0.10 0.68 0.37 0.00 -1.23 0.00 0.00 177.57 177.29 3nkw h ALA 133 N 1.30 0.91 0.00 5.19 0.00 -1.17 -2.46 119.26 123.02 3nkw h ALA 133 Ca -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3nkw h ALA 133 Cb 1.52 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3nkw h ALA 133 CO 0.09 0.45 -0.14 -0.07 0.00 0.00 0.00 179.25 179.57 3nkw h LEU 134 N 0.98 0.00 0.00 0.00 3.38 -1.23 -3.37 115.31 115.07 3nkw h LEU 134 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3nkw h LEU 134 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3nkw h LEU 134 CO -0.04 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.25 3nkw n GLY 135 N 0.29 0.64 0.10 0.83 0.00 -0.93 -4.89 105.19 101.22 3nkw n GLY 135 Ca 0.01 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 0.20 -3.65 4.61 0.00 -1.40 -3.37 119.26 115.65 3nkw h ALA 136 Ca 0.00 -0.87 -0.67 0.00 0.00 0.00 0.00 54.91 53.37 3nkw h ALA 136 Cb 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 17.79 17.58 3nkw h ALA 136 CO 0.00 1.03 -0.76 -0.51 0.00 0.00 0.00 179.25 179.00 3nkw s LEU 137 N -7.10 2.89 0.42 0.00 1.43 -0.69 0.70 118.68 116.34 3nkw s LEU 137 Ca -0.03 -0.44 -0.25 0.00 -1.03 0.00 0.00 54.13 52.38 3nkw s LEU 137 Cb 0.08 -1.71 -0.08 0.00 0.03 0.00 0.00 46.19 44.51 3nkw s LEU 137 CO 0.86 0.19 1.26 -0.13 0.23 0.00 0.00 176.35 178.76 3nkw s ARG 138 N -2.10 3.89 0.43 1.70 0.52 0.59 -4.28 118.95 119.69 3nkw s ARG 138 Ca 0.20 2.04 0.09 0.00 -0.52 0.00 0.00 55.73 57.54 3nkw s ARG 138 Cb -0.11 -2.65 0.94 0.00 0.52 0.00 0.00 34.95 33.65 3nkw s ARG 138 CO 0.12 -0.52 2.06 0.66 0.02 0.00 0.00 175.30 177.63 3nkw h SER 139 N 2.48 0.39 -1.31 0.23 4.64 -1.90 -2.13 113.55 115.96 3nkw h SER 139 Ca -0.49 -0.01 -0.71 0.00 -0.47 0.00 0.00 61.79 60.11 3nkw h SER 139 Cb 1.25 -0.09 -0.29 0.00 -0.31 0.00 0.00 62.40 62.96 3nkw h SER 139 CO 0.62 0.28 0.92 -0.46 -0.87 0.00 0.00 176.83 177.31 3nkw n ASN 140 N -4.48 7.64 -4.67 4.97 6.94 -1.26 -5.03 115.26 119.37 3nkw n ASN 140 Ca 0.03 -3.80 -0.30 0.00 -0.02 0.00 0.00 54.58 50.49 3nkw n ASN 140 Cb 0.12 -1.00 0.16 0.00 -2.36 0.00 0.00 39.78 36.70 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 1.96 -0.11 -2.53 -0.85 -0.80 -5.03 117.35 106.09 3nkw s TYR 141 Ca 0.61 1.43 0.01 0.00 -0.52 0.00 0.00 57.07 58.60 3nkw s TYR 141 Cb 0.49 -3.18 0.02 0.00 0.38 0.00 0.00 41.96 39.66 3nkw s TYR 141 CO -0.14 -2.73 -0.10 -1.21 -1.52 0.00 0.00 175.55 169.85 3nkw s GLU 142 N -4.76 1.74 0.11 -3.49 2.02 0.57 -4.88 118.70 110.01 3nkw s GLU 142 Ca 0.65 -0.36 -0.28 0.00 0.02 0.00 0.00 54.97 55.00 3nkw s GLU 142 Cb -0.21 -1.64 -0.06 0.00 0.10 0.00 0.00 34.13 32.32 3nkw s GLU 142 CO 0.59 -0.17 0.89 0.08 0.02 0.00 0.00 175.26 176.66 3nkw s VAL 143 N 1.35 4.51 0.13 2.63 1.01 -0.62 -0.63 120.40 128.78 3nkw s VAL 143 Ca -0.01 1.92 0.06 0.00 0.00 0.00 0.00 61.98 63.95 3nkw s VAL 143 Cb -0.14 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 3nkw s VAL 143 CO -0.05 0.37 -0.14 -0.54 0.00 0.00 0.00 175.10 174.74 3nkw s LYS 144 N -0.24 1.04 0.46 2.72 1.02 0.15 -2.18 119.74 122.72 3nkw s LYS 144 Ca 0.43 -1.27 -0.15 0.00 0.02 0.00 0.00 55.97 55.00 3nkw s LYS 144 Cb -0.23 -0.89 -0.08 0.00 -0.52 0.00 0.00 37.83 36.12 3nkw s LYS 144 CO 0.28 0.16 0.91 0.20 -0.92 0.00 0.00 175.35 175.98 3nkw s GLY 145 N -2.55 2.09 0.28 -3.33 0.00 -1.26 -0.74 107.32 101.81 3nkw s GLY 145 Ca 0.10 0.10 -0.04 0.00 0.00 0.00 0.00 44.72 44.88 3nkw s GLY 145 CO 0.03 0.35 1.95 0.84 0.00 0.00 0.00 173.10 176.27 3nkw h HIS 146 N 1.20 1.14 0.00 1.90 2.76 -1.14 -1.59 115.15 119.43 3nkw h HIS 146 Ca -0.47 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 57.71 3nkw h HIS 146 Cb 1.18 -0.39 -0.00 0.00 1.55 0.00 0.00 27.41 29.76 3nkw h HIS 146 CO 0.63 0.72 -0.07 0.07 -1.30 0.00 0.00 177.93 177.97 3nkw h ARG 147 N 1.23 0.00 0.00 5.26 0.11 -0.60 -1.91 114.38 118.47 3nkw h ARG 147 Ca 0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.41 3nkw h ARG 147 Cb -0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 30.94 3nkw h ARG 147 CO -0.07 0.07 0.00 -0.44 0.10 0.00 0.00 179.97 179.63 3nkw h ASP 148 N 0.00 0.00 0.00 0.08 3.32 -1.58 -3.34 116.42 114.90 3nkw h ASP 148 Ca -0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 3nkw h ASP 148 Cb 0.26 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3nkw h ASP 148 CO 0.01 0.00 -1.42 0.52 -1.72 0.00 0.00 179.24 176.63 3nkw n VAL 149 N -3.02 0.39 -3.67 -1.35 0.31 -1.01 -5.02 118.33 104.96 3nkw n VAL 149 Ca 0.01 -0.26 -0.13 0.00 -0.01 0.00 0.00 64.34 63.96 3nkw n VAL 149 Cb 0.35 -0.71 -0.07 0.00 -0.91 0.00 0.00 33.84 32.50 3nkw n VAL 149 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3nkw s GLN 150 N -2.19 0.89 -0.76 5.55 -2.07 -0.75 -5.04 119.66 115.30 3nkw s GLN 150 Ca -0.03 -0.31 -0.26 0.00 -1.82 0.00 0.00 55.36 52.94 3nkw s GLN 150 Cb 0.02 0.40 -0.03 0.00 -1.09 0.00 0.00 33.01 32.31 3nkw s GLN 150 CO 0.26 -0.30 1.87 -1.25 -1.32 0.00 0.00 175.29 174.55 3nkw s PRO 151 N -2.26 2.64 0.16 9.60 0.04 -1.26 -3.99 135.00 139.93 3nkw s PRO 151 Ca -0.07 0.12 -0.21 0.00 0.04 0.00 0.00 61.00 60.89 3nkw s PRO 151 Cb -0.01 -4.71 0.06 0.00 0.04 0.00 0.00 34.50 29.87 3nkw s PRO 151 CO -0.01 -2.99 0.56 -0.08 0.04 0.00 0.00 177.00 174.52 3nkw s THR 152 N 9.29 0.02 -0.64 1.26 -1.32 -1.26 -5.02 115.64 117.96 3nkw s THR 152 Ca 0.67 -0.21 0.24 0.00 -1.21 0.00 0.00 61.69 61.19 3nkw s THR 152 Cb -0.09 -1.11 0.10 0.00 -1.51 0.00 0.00 72.50 69.89 3nkw s THR 152 CO 0.10 -0.07 1.41 -0.07 -2.21 0.00 0.00 174.62 173.77 3nkw h LEU 153 N 2.09 0.00 -9.47 9.08 3.38 -1.96 -3.38 115.31 115.06 3nkw h LEU 153 Ca -0.33 -0.16 -0.61 0.00 0.09 0.00 0.00 57.88 56.87 3nkw h LEU 153 Cb 1.29 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.11 3nkw h LEU 153 CO 0.39 0.08 0.57 -0.24 0.09 0.00 0.00 178.44 179.34 3nkw n SER 154 N -2.17 2.40 -1.43 -0.43 2.88 -1.26 0.82 113.62 114.44 3nkw n SER 154 Ca 0.04 1.12 0.06 0.00 -1.33 0.00 0.00 58.87 58.76 3nkw n SER 154 Cb 0.44 -1.35 0.29 0.00 -0.75 0.00 0.00 64.21 62.84 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 2.42 3.56 0.00 -1.46 -0.04 -1.26 -0.05 135.00 138.17 3nkw n PRO 155 Ca 0.15 -2.25 0.00 0.00 -0.04 0.00 0.00 63.50 61.36 3nkw n PRO 155 Cb 0.28 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 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 0.64 -0.01 0.18 0.55 0.00 0.24 -4.25 105.19 102.54 3nkw n GLY 156 Ca 0.20 -1.45 -0.06 0.00 0.00 0.00 0.00 46.02 44.71 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 0.33 -0.64 1.61 3.32 -1.58 0.11 116.42 119.57 3nkw h ASP 157 Ca 0.00 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 3nkw h ASP 157 Cb 0.00 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3nkw h ASP 157 CO 0.00 0.24 0.25 0.03 -1.72 0.00 0.00 179.24 178.04 3nkw h ARG 158 N 0.44 0.97 -0.08 3.56 2.47 -1.26 -0.46 114.38 120.02 3nkw h ARG 158 Ca 0.17 -0.18 -0.19 0.00 -1.26 0.00 0.00 59.98 58.52 3nkw h ARG 158 Cb 0.06 -0.15 0.01 0.00 -1.65 0.00 0.00 29.97 28.24 3nkw h ARG 158 CO -0.11 0.82 -0.69 1.25 0.56 0.00 0.00 179.97 181.80 3nkw h LEU 159 N 0.91 0.75 -0.77 3.04 5.85 -1.53 -3.07 115.31 120.50 3nkw h LEU 159 Ca 0.21 -0.67 0.06 0.00 0.84 0.00 0.00 57.88 58.32 3nkw h LEU 159 Cb 0.22 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 3nkw h LEU 159 CO -0.02 1.31 0.46 0.22 -0.34 0.00 0.00 178.44 180.07 3nkw h TYR 160 N 0.25 0.85 -0.57 1.25 3.20 -0.62 -1.16 116.97 120.17 3nkw h TYR 160 Ca -0.06 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.90 3nkw h TYR 160 Cb 1.34 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 3nkw h TYR 160 CO 0.11 0.43 0.38 1.49 -1.64 0.00 0.00 178.16 178.93 3nkw h GLU 161 N 0.85 0.51 0.22 1.82 4.81 -1.10 -3.00 114.58 118.68 3nkw h GLU 161 Ca 0.33 -0.03 -0.30 0.00 -0.13 0.00 0.00 59.36 59.24 3nkw h GLU 161 Cb 0.16 -0.11 0.03 0.00 0.63 0.00 0.00 28.75 29.45 3nkw h GLU 161 CO -0.17 0.34 -1.32 0.82 -0.73 0.00 0.00 179.01 177.95 3nkw h ILE 162 N 0.52 1.31 0.00 2.32 2.04 -1.14 -3.32 117.51 119.24 3nkw h ILE 162 Ca 0.25 -2.63 0.00 0.00 1.00 0.00 0.00 64.86 63.48 3nkw h ILE 162 Cb 0.31 3.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.45 3nkw h ILE 162 CO -0.07 0.78 0.00 2.30 0.00 0.00 0.00 178.15 181.16 3nkw n ILE 163 N -3.83 0.76 0.19 -0.67 -5.35 -0.73 -1.83 119.36 107.90 3nkw n ILE 163 Ca -0.17 0.12 0.05 0.00 -0.27 0.00 0.00 62.75 62.49 3nkw n ILE 163 Cb 1.02 -0.98 0.38 0.00 -1.74 0.00 0.00 39.64 38.32 3nkw n ILE 163 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 3nkw h GLN 164 N 0.00 0.00 0.00 6.28 4.20 -1.63 -2.28 115.11 121.69 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 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3nkw h GLN 164 CO 0.00 0.36 0.00 0.25 -0.67 0.00 0.00 178.83 178.77 3nkw n THR 165 N -3.71 0.02 -2.65 -0.54 -2.24 -0.76 -4.83 114.28 99.57 3nkw n THR 165 Ca -0.01 0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 3nkw n THR 165 Cb 0.45 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 68.09 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 -2.13 3.77 0.56 4.78 0.52 -0.86 -4.92 118.94 120.66 3nkw s TRP 166 Ca 0.40 1.75 0.36 0.00 0.02 0.00 0.00 56.10 58.64 3nkw s TRP 166 Cb 0.20 -3.12 1.51 0.00 -1.15 0.00 0.00 33.47 30.90 3nkw s TRP 166 CO 0.36 -0.04 1.75 1.03 0.02 0.00 0.00 176.95 180.06 3nkw h SER 167 N 5.07 0.00 -0.29 2.95 0.87 -1.88 -1.77 113.55 118.49 3nkw h SER 167 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 3nkw h SER 167 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3nkw h SER 167 CO 0.71 0.00 0.00 1.41 -0.53 0.00 0.00 176.83 178.42 3nkw n HIS 168 N -4.00 0.38 -2.10 2.24 8.25 -1.26 -4.99 115.22 113.75 3nkw n HIS 168 Ca 0.25 -0.37 -0.42 0.00 -0.26 0.00 0.00 57.72 56.92 3nkw n HIS 168 Cb 1.28 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 32.35 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 -1.01 2.80 -0.12 4.41 5.04 -0.67 -1.58 117.35 126.22 3nkw s TYR 169 Ca 0.23 0.67 0.00 0.00 -2.44 0.00 0.00 57.07 55.53 3nkw s TYR 169 Cb 0.13 -3.78 0.02 0.00 0.35 0.00 0.00 41.96 38.68 3nkw s TYR 169 CO 0.17 -2.96 -0.12 1.03 -1.34 0.00 0.00 175.55 172.33 3nkw s ARG 170 N 2.14 1.96 0.00 4.97 1.81 -0.92 -4.91 118.95 123.99 3nkw s ARG 170 Ca 0.68 -0.44 0.00 0.00 -1.72 0.00 0.00 55.73 54.25 3nkw s ARG 170 Cb -0.36 -1.83 0.00 0.00 -0.45 0.00 0.00 34.95 32.31 3nkw s ARG 170 CO 0.29 -0.20 0.00 0.00 -0.68 0.00 0.00 175.30 174.72