#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cnf s ARG 12 N 0.00 2.08 -0.17 1.61 1.81 -1.26 -4.26 118.95 118.76 1cnf s ARG 12 Ca 0.00 -0.55 -0.13 0.00 -1.72 0.00 0.00 55.73 53.34 1cnf s ARG 12 Cb 0.00 -2.25 0.05 0.00 -0.45 0.00 0.00 34.95 32.30 1cnf s ARG 12 CO 0.00 -1.23 0.44 0.42 -0.68 0.00 0.00 175.30 174.24 1cnf s ILE 13 N -3.16 -0.01 -0.58 1.52 1.01 -1.10 -4.96 121.20 113.93 1cnf s ILE 13 Ca 0.61 0.04 -0.21 0.00 0.00 0.00 0.00 60.65 61.10 1cnf s ILE 13 Cb -0.09 -0.63 0.07 0.00 0.01 0.00 0.00 42.46 41.82 1cnf s ILE 13 CO 0.44 0.02 0.78 -1.00 0.00 0.00 0.00 174.94 175.17 1cnf s HIS 14 N 0.82 2.90 0.51 3.97 3.76 -1.26 -3.13 115.29 122.86 1cnf s HIS 14 Ca -0.05 -0.58 -0.01 0.00 -0.15 0.00 0.00 55.06 54.27 1cnf s HIS 14 Cb -0.06 -3.94 0.01 0.00 1.11 0.00 0.00 32.58 29.70 1cnf s HIS 14 CO -0.06 -1.31 0.76 0.00 -0.85 0.00 0.00 174.74 173.27 1cnf s ARG 16 N -4.72 0.17 -0.83 0.00 3.52 -1.10 -0.63 118.95 115.35 1cnf s ARG 16 Ca 0.52 0.55 -0.23 0.00 -0.13 0.00 0.00 55.73 56.44 1cnf s ARG 16 Cb -0.10 -0.45 -0.18 0.00 -1.56 0.00 0.00 34.95 32.67 1cnf s ARG 16 CO 0.40 -0.43 2.33 -0.11 -0.81 0.00 0.00 175.30 176.68 1cnf n LEU 17 N 5.34 1.20 0.22 -0.88 7.94 0.11 -2.67 117.00 128.26 1cnf n LEU 17 Ca -0.06 -1.43 0.13 0.00 -1.11 0.00 0.00 56.01 53.55 1cnf n LEU 17 Cb 0.50 -1.48 0.31 0.00 0.53 0.00 0.00 43.42 43.28 1cnf n LEU 17 CO 0.05 -2.52 0.86 1.62 -1.11 0.00 0.00 177.39 176.28 1cnf h VAL 18 N 7.50 0.00 -2.31 1.96 3.04 -1.58 0.11 116.25 124.97 1cnf h VAL 18 Ca 0.01 -0.84 0.10 0.00 -1.01 0.00 0.00 66.70 64.96 1cnf h VAL 18 Cb 1.02 1.83 -0.15 0.00 -2.01 0.00 0.00 31.29 31.98 1cnf h VAL 18 CO 1.10 0.00 0.48 0.00 -1.01 0.00 0.00 177.57 178.14 1cnf s ALA 19 N -3.30 -1.81 0.01 3.17 0.00 -0.92 -4.79 121.76 114.11 1cnf s ALA 19 Ca 0.06 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 52.85 1cnf s ALA 19 Cb 0.07 0.43 0.03 0.00 0.00 0.00 0.00 23.12 23.64 1cnf s ALA 19 CO 0.63 -0.69 0.36 0.21 0.00 0.00 0.00 175.76 176.27 1cnf s LYS 20 N -3.13 0.78 -0.02 0.00 2.36 -1.26 -0.19 119.74 118.29 1cnf s LYS 20 Ca 0.05 -0.25 -0.01 0.00 -2.55 0.00 0.00 55.97 53.20 1cnf s LYS 20 Cb -0.01 0.35 0.02 0.00 -1.05 0.00 0.00 37.83 37.13 1cnf s LYS 20 CO -0.09 -0.24 0.04 0.21 1.55 0.00 0.00 175.35 176.82 1cnf s LYS 21 N -1.80 0.02 -0.63 4.03 2.20 0.07 -4.95 119.74 118.68 1cnf s LYS 21 Ca -0.10 0.12 -0.15 0.00 -0.36 0.00 0.00 55.97 55.49 1cnf s LYS 21 Cb -0.03 -0.09 0.16 0.00 -1.51 0.00 0.00 37.83 36.36 1cnf s LYS 21 CO 0.02 -0.07 0.57 -2.00 -0.36 0.00 0.00 175.35 173.51 1cnf s GLU 22 N 0.47 3.14 0.34 4.03 2.12 -1.26 0.17 118.70 127.71 1cnf s GLU 22 Ca -0.04 -1.97 0.26 0.00 0.36 0.00 0.00 54.97 53.59 1cnf s GLU 22 Cb -0.05 -4.30 0.90 0.00 0.26 0.00 0.00 34.13 30.93 1cnf s GLU 22 CO -0.02 -1.30 1.77 -0.07 -0.54 0.00 0.00 175.26 175.10 1cnf h LEU 23 N 8.47 0.00 -7.82 2.70 3.38 -1.77 -3.47 115.31 116.80 1cnf h LEU 23 Ca -0.16 0.00 0.38 0.00 0.09 0.00 0.00 57.88 58.19 1cnf h LEU 23 Cb 1.08 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.74 1cnf h LEU 23 CO 0.93 0.00 0.95 -0.94 0.09 0.00 0.00 178.44 179.47 1cnf s SER 24 N -5.00 -0.00 0.00 -0.43 1.04 -1.22 -4.97 113.70 103.12 1cnf s SER 24 Ca 0.06 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1cnf s SER 24 Cb 0.09 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.29 1cnf s SER 24 CO 0.54 -0.15 0.60 0.54 0.98 0.00 0.00 173.24 175.74 1cnf n ARG 25 N -0.87 0.00 -0.30 4.02 1.74 -1.26 -2.95 116.66 117.04 1cnf n ARG 25 Ca 0.03 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1cnf n ARG 25 Cb 0.59 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 1cnf n ARG 25 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1cnf n ASP 26 N -1.10 0.00 -4.10 0.55 5.75 -1.26 -5.07 116.55 111.32 1cnf n ASP 26 Ca 0.00 -0.73 -0.25 0.00 -0.01 0.00 0.00 54.79 53.81 1cnf n ASP 26 Cb 0.31 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.24 1cnf n ASP 26 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1cnf s VAL 27 N 0.00 1.30 0.10 2.12 1.01 -1.15 -0.23 120.40 123.54 1cnf s VAL 27 Ca 0.00 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.42 1cnf s VAL 27 Cb 0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 1cnf s VAL 27 CO 0.00 0.38 -0.19 -0.13 0.00 0.00 0.00 175.10 175.16 1cnf s ARG 28 N 0.10 1.06 -0.38 2.72 1.81 0.29 -1.98 118.95 122.57 1cnf s ARG 28 Ca -0.04 -1.13 -0.04 0.00 -1.72 0.00 0.00 55.73 52.80 1cnf s ARG 28 Cb -0.11 -1.26 0.09 0.00 -0.45 0.00 0.00 34.95 33.22 1cnf s ARG 28 CO 0.02 0.29 0.16 -1.17 -0.68 0.00 0.00 175.30 173.92 1cnf s LEU 29 N -1.91 4.90 -0.10 2.53 2.96 0.13 -1.43 118.68 125.75 1cnf s LEU 29 Ca 0.05 -1.74 -0.21 0.00 -0.22 0.00 0.00 54.13 52.01 1cnf s LEU 29 Cb -0.10 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1cnf s LEU 29 CO 0.04 -0.47 0.60 -0.36 -1.32 0.00 0.00 176.35 174.84 1cnf s PHE 30 N 1.22 3.53 -0.39 5.38 0.08 -0.45 -0.75 117.98 126.60 1cnf s PHE 30 Ca 0.04 1.06 -0.06 0.00 0.12 0.00 0.00 56.93 58.09 1cnf s PHE 30 Cb -0.22 -2.70 0.08 0.00 -0.57 0.00 0.00 43.02 39.61 1cnf s PHE 30 CO -0.02 0.09 0.19 0.50 -0.10 0.00 0.00 175.22 175.88 1cnf s ARG 31 N 0.84 2.39 0.55 0.44 3.52 0.73 -0.95 118.95 126.49 1cnf s ARG 31 Ca 0.32 -1.52 -0.02 0.00 -0.13 0.00 0.00 55.73 54.38 1cnf s ARG 31 Cb -0.16 -3.60 0.02 0.00 -1.56 0.00 0.00 34.95 29.65 1cnf s ARG 31 CO 0.14 -0.92 0.81 -0.06 -0.81 0.00 0.00 175.30 174.46 1cnf s PHE 32 N 1.31 3.08 -0.01 5.12 0.08 -0.64 -1.53 117.98 125.39 1cnf s PHE 32 Ca 0.03 0.29 0.03 0.00 0.12 0.00 0.00 56.93 57.40 1cnf s PHE 32 Cb -0.22 -2.67 -0.01 0.00 -0.57 0.00 0.00 43.02 39.55 1cnf s PHE 32 CO -0.00 -0.78 -0.10 -1.54 -0.10 0.00 0.00 175.22 172.70 1cnf s SER 33 N -4.34 1.22 0.32 1.36 1.04 -1.09 -2.54 113.70 109.67 1cnf s SER 33 Ca 0.54 -0.19 -0.18 0.00 0.48 0.00 0.00 55.95 56.61 1cnf s SER 33 Cb -0.10 -0.16 -0.09 0.00 0.10 0.00 0.00 66.02 65.76 1cnf s SER 33 CO 0.41 0.12 0.78 -0.76 0.98 0.00 0.00 173.24 174.77 1cnf s LEU 34 N -0.18 4.11 0.63 2.42 1.43 -0.98 -2.71 118.68 123.40 1cnf s LEU 34 Ca 0.03 1.41 0.22 0.00 -1.03 0.00 0.00 54.13 54.76 1cnf s LEU 34 Cb -0.05 -4.06 1.09 0.00 0.03 0.00 0.00 46.19 43.21 1cnf s LEU 34 CO -0.00 -0.18 1.59 1.55 0.23 0.00 0.00 176.35 179.54 1cnf h PRO 35 N 2.48 0.00 -3.60 1.29 0.13 -1.93 -3.35 132.00 127.02 1cnf h PRO 35 Ca -0.48 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.24 1cnf h PRO 35 Cb 1.18 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.93 1cnf h PRO 35 CO 0.65 0.00 -0.76 0.45 -0.23 0.00 0.00 178.00 178.11 1cnf s SER 36 N -4.13 1.39 0.61 1.44 0.15 -1.26 -5.03 113.70 106.87 1cnf s SER 36 Ca -0.03 -0.04 0.30 0.00 0.70 0.00 0.00 55.95 56.89 1cnf s SER 36 Cb 0.10 -0.35 1.68 0.00 -1.71 0.00 0.00 66.02 65.74 1cnf s SER 36 CO 0.32 -0.20 2.04 -0.65 1.20 0.00 0.00 173.24 175.95 1cnf h PRO 37 N 8.27 0.00 -0.01 5.44 0.11 -1.89 -1.50 132.00 142.43 1cnf h PRO 37 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1cnf h PRO 37 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1cnf h PRO 37 CO 0.25 0.00 -0.06 -0.40 -0.21 0.00 0.00 178.00 177.58 1cnf n ASP 38 N -3.50 0.72 -4.72 -2.05 5.75 -1.26 -3.65 116.55 107.84 1cnf n ASP 38 Ca 0.02 -0.99 -0.24 0.00 -0.01 0.00 0.00 54.79 53.56 1cnf n ASP 38 Cb 0.39 -0.02 -0.07 0.00 -1.03 0.00 0.00 41.12 40.39 1cnf n ASP 38 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1cnf s GLN 39 N -2.21 2.22 0.33 0.11 -0.21 -0.56 -4.89 119.66 114.45 1cnf s GLN 39 Ca 0.36 -1.80 0.09 0.00 0.02 0.00 0.00 55.36 54.03 1cnf s GLN 39 Cb 0.21 -2.00 -0.05 0.00 1.00 0.00 0.00 33.01 32.17 1cnf s GLN 39 CO 0.41 -0.06 0.05 0.14 -2.12 0.00 0.00 175.29 173.71 1cnf s VAL 40 N -2.57 2.85 0.43 1.09 -7.23 -1.26 -1.07 120.40 112.64 1cnf s VAL 40 Ca 0.40 -1.89 0.11 0.00 -1.81 0.00 0.00 61.98 58.79 1cnf s VAL 40 Cb 0.03 -2.85 0.30 0.00 0.56 0.00 0.00 36.38 34.42 1cnf s VAL 40 CO 0.22 -0.22 2.02 0.25 -0.31 0.00 0.00 175.10 177.06 1cnf h LEU 41 N 1.74 0.39 1.80 1.32 5.85 -1.86 -3.46 115.31 121.10 1cnf h LEU 41 Ca -0.43 -0.00 -0.42 0.00 0.84 0.00 0.00 57.88 57.87 1cnf h LEU 41 Cb 1.25 -0.08 -0.11 0.00 0.37 0.00 0.00 40.66 42.09 1cnf h LEU 41 CO 0.65 0.26 -0.45 0.61 -0.34 0.00 0.00 178.44 179.17 1cnf n GLY 42 N -1.50 0.97 3.71 3.75 0.00 -1.26 -4.95 105.19 105.90 1cnf n GLY 42 Ca 0.06 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1cnf n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cnf s LEU 43 N -5.26 4.36 0.03 0.99 2.96 -1.26 -4.97 118.68 115.54 1cnf s LEU 43 Ca 0.00 2.38 -0.30 0.00 -0.22 0.00 0.00 54.13 55.99 1cnf s LEU 43 Cb 0.00 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 43.05 1cnf s LEU 43 CO 0.00 -0.75 1.35 -2.84 -1.32 0.00 0.00 176.35 172.79 1cnf s PRO 44 N 1.64 4.32 -0.22 0.98 0.02 -1.26 -4.93 135.00 135.55 1cnf s PRO 44 Ca 0.67 1.93 -0.37 0.00 0.02 0.00 0.00 61.00 63.26 1cnf s PRO 44 Cb -0.38 -3.46 -0.13 0.00 0.02 0.00 0.00 34.50 30.55 1cnf s PRO 44 CO 0.30 -0.48 1.90 -0.89 -0.33 0.00 0.00 177.00 177.50 1cnf n ILE 45 N 4.37 0.40 0.00 2.83 2.08 -1.26 -0.68 119.36 127.11 1cnf n ILE 45 Ca 0.12 -0.12 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1cnf n ILE 45 Cb 0.44 -1.59 0.00 0.00 -0.75 0.00 0.00 39.64 37.74 1cnf n ILE 45 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1cnf n GLY 46 N 4.76 2.14 3.96 7.39 0.00 -1.26 -1.07 105.19 121.12 1cnf n GLY 46 Ca 0.28 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.07 1cnf n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cnf s LYS 47 N -0.15 2.29 0.31 1.61 1.02 0.15 -3.88 119.74 121.08 1cnf s LYS 47 Ca 0.00 -1.84 0.05 0.00 0.02 0.00 0.00 55.97 54.20 1cnf s LYS 47 Cb 0.00 -2.34 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 1cnf s LYS 47 CO 0.00 -0.70 0.27 -3.38 -0.92 0.00 0.00 175.35 170.62 1cnf s HIS 48 N -2.72 1.58 0.10 3.18 -3.43 0.34 -4.85 115.29 109.49 1cnf s HIS 48 Ca 0.46 -1.57 0.09 0.00 -0.80 0.00 0.00 55.06 53.24 1cnf s HIS 48 Cb -0.04 -0.62 -0.03 0.00 -1.43 0.00 0.00 32.58 30.45 1cnf s HIS 48 CO 0.29 -0.85 -0.23 0.96 -2.00 0.00 0.00 174.74 172.90 1cnf s ILE 49 N -3.55 1.90 -0.28 -5.38 -4.36 -1.10 -1.03 121.20 107.41 1cnf s ILE 49 Ca 0.39 -1.53 -0.11 0.00 -0.26 0.00 0.00 60.65 59.14 1cnf s ILE 49 Cb 0.03 -1.69 -0.05 0.00 1.25 0.00 0.00 42.46 42.00 1cnf s ILE 49 CO 0.24 0.07 0.21 -0.36 0.24 0.00 0.00 174.94 175.34 1cnf s PHE 50 N -1.04 3.23 -0.52 1.37 0.08 -0.83 -1.64 117.98 118.64 1cnf s PHE 50 Ca 0.09 0.16 -0.20 0.00 0.12 0.00 0.00 56.93 57.11 1cnf s PHE 50 Cb -0.10 -2.39 0.06 0.00 -0.57 0.00 0.00 43.02 40.01 1cnf s PHE 50 CO 0.04 -0.15 0.68 0.08 -0.10 0.00 0.00 175.22 175.77 1cnf s VAL 51 N 1.74 4.79 0.36 -0.44 1.01 -0.77 -1.45 120.40 125.64 1cnf s VAL 51 Ca 0.08 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 1cnf s VAL 51 Cb -0.16 -4.34 -0.06 0.00 0.00 0.00 0.00 36.38 31.82 1cnf s VAL 51 CO 0.10 -0.86 0.68 0.00 0.00 0.00 0.00 175.10 175.02 1cnf s ALA 53 N -2.24 -1.95 -0.24 0.00 0.00 -1.26 -4.24 121.76 111.83 1cnf s ALA 53 Ca 0.48 1.54 -0.06 0.00 0.00 0.00 0.00 51.96 53.93 1cnf s ALA 53 Cb -0.10 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 1cnf s ALA 53 CO 0.30 -0.37 0.02 0.99 0.00 0.00 0.00 175.76 176.70 1cnf s THR 54 N -1.46 3.83 -0.07 0.00 2.01 -1.26 -1.01 115.64 117.69 1cnf s THR 54 Ca 0.01 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.68 1cnf s THR 54 Cb -0.01 -2.78 0.01 0.00 0.01 0.00 0.00 72.50 69.73 1cnf s THR 54 CO -0.01 0.36 -0.13 -0.51 -0.69 0.00 0.00 174.62 173.64 1cnf s ILE 55 N 1.54 1.20 0.00 1.82 1.10 0.08 -4.84 121.20 122.11 1cnf s ILE 55 Ca 0.06 -0.53 0.00 0.00 -0.51 0.00 0.00 60.65 59.67 1cnf s ILE 55 Cb -0.15 -1.09 0.00 0.00 0.15 0.00 0.00 42.46 41.37 1cnf s ILE 55 CO 0.00 0.37 0.00 -0.62 -2.11 0.00 0.00 174.94 172.58 1cnf n GLU 56 N 3.74 0.00 0.00 3.50 4.71 -1.26 -2.08 120.64 129.25 1cnf n GLU 56 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.93 1cnf n GLU 56 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.95 1cnf n GLU 56 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1cnf n GLY 57 N 0.00 0.00 3.78 0.62 0.00 -1.26 -5.13 105.19 103.20 1cnf n GLY 57 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1cnf n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1cnf s LYS 58 N -0.02 3.96 -0.32 1.61 2.20 -0.88 -5.05 119.74 121.25 1cnf s LYS 58 Ca 0.00 -0.14 -0.24 0.00 -0.36 0.00 0.00 55.97 55.24 1cnf s LYS 58 Cb 0.00 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 1cnf s LYS 58 CO 0.00 0.45 0.81 -1.17 -0.36 0.00 0.00 175.35 175.08 1cnf s LEU 59 N -0.09 4.08 -0.19 5.43 0.20 -1.26 -0.74 118.68 126.12 1cnf s LEU 59 Ca 0.12 0.63 -0.00 0.00 0.69 0.00 0.00 54.13 55.57 1cnf s LEU 59 Cb -0.12 -3.10 0.01 0.00 -0.43 0.00 0.00 46.19 42.55 1cnf s LEU 59 CO 0.01 -0.66 -0.16 0.00 -0.29 0.00 0.00 176.35 175.26 1cnf s MET 61 N 1.29 4.78 -0.04 0.00 -1.94 -1.26 -4.15 119.30 117.99 1cnf s MET 61 Ca 0.04 1.43 -0.01 0.00 -1.71 0.00 0.00 55.69 55.44 1cnf s MET 61 Cb -0.14 -3.16 0.03 0.00 2.01 0.00 0.00 34.83 33.57 1cnf s MET 61 CO -0.09 0.46 0.06 1.03 -0.01 0.00 0.00 175.02 176.47 1cnf s ARG 62 N -1.39 -0.05 0.25 2.03 1.81 -1.24 -5.02 118.95 115.34 1cnf s ARG 62 Ca 0.43 0.31 -0.30 0.00 -1.72 0.00 0.00 55.73 54.45 1cnf s ARG 62 Cb -0.24 -0.38 -0.09 0.00 -0.45 0.00 0.00 34.95 33.79 1cnf s ARG 62 CO 0.30 -0.26 0.97 0.00 -0.68 0.00 0.00 175.30 175.63 1cnf s ALA 63 N 1.68 3.34 -0.11 2.13 0.00 -1.26 -1.85 121.76 125.69 1cnf s ALA 63 Ca -0.02 0.66 -0.11 0.00 0.00 0.00 0.00 51.96 52.50 1cnf s ALA 63 Cb -0.12 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.80 1cnf s ALA 63 CO -0.03 0.14 0.31 0.71 0.00 0.00 0.00 175.76 176.88 1cnf s TYR 64 N -1.21 -0.33 -0.30 0.00 1.51 -0.65 -4.96 117.35 111.40 1cnf s TYR 64 Ca 0.42 0.80 -0.04 0.00 -1.01 0.00 0.00 57.07 57.25 1cnf s TYR 64 Cb -0.27 0.11 0.03 0.00 -0.11 0.00 0.00 41.96 41.73 1cnf s TYR 64 CO 0.33 -0.17 0.04 0.99 -1.11 0.00 0.00 175.55 175.63 1cnf s THR 65 N 0.11 3.41 0.77 -0.71 2.01 -1.26 -2.70 115.64 117.27 1cnf s THR 65 Ca -0.00 -1.11 -0.15 0.00 0.31 0.00 0.00 61.69 60.74 1cnf s THR 65 Cb -0.02 -2.87 0.06 0.00 0.01 0.00 0.00 72.50 69.67 1cnf s THR 65 CO 0.01 -0.04 1.22 -0.81 -0.69 0.00 0.00 174.62 174.31 1cnf n PRO 66 N 4.74 0.42 -0.52 4.92 -0.04 -1.26 -4.78 135.00 138.48 1cnf n PRO 66 Ca -0.14 0.22 0.08 0.00 -0.04 0.00 0.00 63.50 63.62 1cnf n PRO 66 Cb 0.45 -2.46 0.28 0.00 -0.04 0.00 0.00 33.50 31.74 1cnf n PRO 66 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1cnf n THR 67 N -2.94 2.35 -2.96 0.52 -2.24 -1.03 -4.85 114.28 103.13 1cnf n THR 67 Ca 0.14 -1.79 -0.30 0.00 -2.27 0.00 0.00 64.05 59.84 1cnf n THR 67 Cb 0.50 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 1cnf n THR 67 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1cnf s SER 68 N -1.73 6.49 0.08 3.42 1.04 -1.26 -4.95 113.70 116.79 1cnf s SER 68 Ca 0.44 1.03 -0.31 0.00 0.48 0.00 0.00 55.95 57.59 1cnf s SER 68 Cb 0.35 -2.28 -0.09 0.00 0.10 0.00 0.00 66.02 64.11 1cnf s SER 68 CO 0.10 -0.36 1.66 -0.32 0.98 0.00 0.00 173.24 175.30 1cnf s MET 69 N -3.82 4.20 0.00 4.02 1.75 -1.26 -4.80 119.30 119.39 1cnf s MET 69 Ca 0.49 2.35 0.00 0.00 -1.25 0.00 0.00 55.69 57.28 1cnf s MET 69 Cb -0.10 -3.57 0.00 0.00 2.84 0.00 0.00 34.83 34.00 1cnf s MET 69 CO 0.32 -0.73 0.54 1.55 -0.65 0.00 0.00 175.02 176.04 1cnf n VAL 70 N 4.67 0.25 -0.61 10.11 3.14 -1.26 -0.63 118.33 134.00 1cnf n VAL 70 Ca 0.16 0.47 0.06 0.00 -2.96 0.00 0.00 64.34 62.07 1cnf n VAL 70 Cb 0.40 -1.47 0.13 0.00 -1.06 0.00 0.00 33.84 31.85 1cnf n VAL 70 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1cnf n ASP 71 N -1.04 2.72 -4.70 6.55 5.68 -1.26 -4.60 116.55 119.90 1cnf n ASP 71 Ca 0.00 -2.59 -0.42 0.00 -0.50 0.00 0.00 54.79 51.28 1cnf n ASP 71 Cb 0.41 -0.31 -0.03 0.00 -1.14 0.00 0.00 41.12 40.05 1cnf n ASP 71 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1cnf s GLU 72 N -2.04 4.31 -0.31 0.11 -6.30 0.20 -4.96 118.70 109.71 1cnf s GLU 72 Ca 0.24 1.98 -0.15 0.00 -2.50 0.00 0.00 54.97 54.54 1cnf s GLU 72 Cb 0.19 -3.45 -0.03 0.00 0.00 0.00 0.00 34.13 30.85 1cnf s GLU 72 CO 0.06 -0.50 0.36 0.42 0.02 0.00 0.00 175.26 175.62 1cnf s ILE 73 N 1.86 5.17 0.00 -3.70 -1.09 -1.26 -4.35 121.20 117.83 1cnf s ILE 73 Ca 0.64 0.29 0.00 0.00 -2.23 0.00 0.00 60.65 59.35 1cnf s ILE 73 Cb -0.33 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 1cnf s ILE 73 CO 0.28 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.63 1cnf n GLY 74 N 4.84 0.29 3.64 6.18 0.00 -0.23 -4.97 105.19 114.95 1cnf n GLY 74 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 1cnf n GLY 74 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1cnf s HIS 75 N -2.07 -0.29 -0.07 1.61 3.76 -1.26 -2.33 115.29 114.63 1cnf s HIS 75 Ca 0.00 0.01 -0.06 0.00 -0.15 0.00 0.00 55.06 54.86 1cnf s HIS 75 Cb 0.00 0.62 0.02 0.00 1.11 0.00 0.00 32.58 34.32 1cnf s HIS 75 CO 0.00 -0.88 0.18 -0.59 -0.85 0.00 0.00 174.74 172.60 1cnf s PHE 76 N -3.53 -0.20 -0.00 1.40 -0.12 -1.05 -4.76 117.98 109.71 1cnf s PHE 76 Ca 0.08 0.49 -0.03 0.00 -0.05 0.00 0.00 56.93 57.42 1cnf s PHE 76 Cb -0.02 0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 1cnf s PHE 76 CO -0.03 -0.10 0.19 -0.51 -0.05 0.00 0.00 175.22 174.72 1cnf s ASP 77 N 0.12 6.38 -0.15 1.98 1.01 -1.26 -1.62 116.67 123.13 1cnf s ASP 77 Ca -0.00 0.35 0.01 0.00 0.71 0.00 0.00 52.55 53.61 1cnf s ASP 77 Cb -0.01 -2.00 0.02 0.00 1.01 0.00 0.00 42.92 41.93 1cnf s ASP 77 CO 0.00 0.26 -0.15 -0.76 0.21 0.00 0.00 175.17 174.73 1cnf s LEU 78 N -1.97 1.74 -0.39 1.23 1.43 -0.12 -2.46 118.68 118.14 1cnf s LEU 78 Ca 0.28 -0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 52.70 1cnf s LEU 78 Cb -0.13 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.90 1cnf s LEU 78 CO 0.19 -0.04 0.47 -0.22 0.23 0.00 0.00 176.35 176.98 1cnf s LEU 79 N 1.39 4.63 -0.06 1.79 2.96 -1.26 -1.34 118.68 126.79 1cnf s LEU 79 Ca 0.03 -0.41 0.06 0.00 -0.22 0.00 0.00 54.13 53.59 1cnf s LEU 79 Cb -0.13 -2.47 -0.01 0.00 0.50 0.00 0.00 46.19 44.08 1cnf s LEU 79 CO -0.10 -0.55 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.45 1cnf s VAL 80 N 2.27 2.00 -0.40 1.68 1.01 -0.51 -5.00 120.40 121.44 1cnf s VAL 80 Ca 0.15 -1.03 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 1cnf s VAL 80 Cb -0.16 -1.69 0.04 0.00 0.00 0.00 0.00 36.38 34.57 1cnf s VAL 80 CO 0.14 0.56 0.24 -0.75 0.00 0.00 0.00 175.10 175.28 1cnf s LYS 81 N -0.15 2.78 0.03 2.72 2.20 -1.26 -0.54 119.74 125.52 1cnf s LYS 81 Ca -0.04 -1.20 -0.30 0.00 -0.36 0.00 0.00 55.97 54.07 1cnf s LYS 81 Cb -0.14 -3.79 -0.06 0.00 -1.51 0.00 0.00 37.83 32.34 1cnf s LYS 81 CO 0.04 -0.79 1.45 0.08 -0.36 0.00 0.00 175.35 175.76 1cnf s VAL 82 N 1.53 3.52 -0.81 4.02 1.01 0.68 -4.98 120.40 125.38 1cnf s VAL 82 Ca 0.02 0.96 -0.18 0.00 0.00 0.00 0.00 61.98 62.78 1cnf s VAL 82 Cb -0.21 -3.62 0.13 0.00 0.00 0.00 0.00 36.38 32.69 1cnf s VAL 82 CO 0.06 0.01 0.96 -0.31 0.00 0.00 0.00 175.10 175.81 1cnf s TYR 83 N 2.24 3.15 0.38 5.22 2.02 -1.26 -4.94 117.35 124.16 1cnf s TYR 83 Ca 0.66 -1.30 -0.24 0.00 -0.37 0.00 0.00 57.07 55.82 1cnf s TYR 83 Cb -0.34 -4.15 -0.10 0.00 -0.40 0.00 0.00 41.96 36.98 1cnf s TYR 83 CO 0.28 -1.39 0.99 -0.06 -1.57 0.00 0.00 175.55 173.81 1cnf s PHE 84 N 2.43 3.43 0.70 2.71 0.08 -1.26 0.11 117.98 126.19 1cnf s PHE 84 Ca 0.24 1.69 -0.11 0.00 0.12 0.00 0.00 56.93 58.88 1cnf s PHE 84 Cb -0.11 -3.00 0.02 0.00 -0.57 0.00 0.00 43.02 39.36 1cnf s PHE 84 CO -0.04 -0.22 1.08 0.15 -0.10 0.00 0.00 175.22 176.09 1cnf s LYS 85 N -2.45 2.75 -1.15 0.44 1.02 -1.26 -3.43 119.74 115.66 1cnf s LYS 85 Ca 0.56 0.34 -0.01 0.00 0.02 0.00 0.00 55.97 56.88 1cnf s LYS 85 Cb -0.18 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 1cnf s LYS 85 CO 0.24 -1.06 0.11 0.09 -0.92 0.00 0.00 175.35 173.80 1cnf n ASN 86 N -2.99 -4.38 0.00 2.83 4.13 -0.23 -4.80 115.26 109.83 1cnf n ASN 86 Ca 0.07 -0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.27 1cnf n ASN 86 Cb 0.58 -3.47 0.00 0.00 -1.54 0.00 0.00 39.78 35.35 1cnf n ASN 86 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1cnf n GLU 87 N -2.50 2.57 -3.72 3.52 -0.58 -1.25 -5.08 120.64 113.61 1cnf n GLU 87 Ca -0.14 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.43 1cnf n GLU 87 Cb 0.61 -0.75 -0.16 0.00 -0.57 0.00 0.00 31.44 30.57 1cnf n GLU 87 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1cnf s HIS 88 N -1.22 -0.01 0.25 -0.32 2.46 -1.26 -5.05 115.29 110.13 1cnf s HIS 88 Ca 0.00 0.28 -0.12 0.00 0.47 0.00 0.00 55.06 55.69 1cnf s HIS 88 Cb 0.00 -0.31 0.34 0.00 -0.13 0.00 0.00 32.58 32.49 1cnf s HIS 88 CO 0.00 -0.16 1.58 -1.00 -2.47 0.00 0.00 174.74 172.70 1cnf h PRO 89 N 7.82 -0.01 -0.01 2.88 0.13 -1.98 -1.25 132.00 139.58 1cnf h PRO 89 Ca -0.30 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.67 1cnf h PRO 89 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1cnf h PRO 89 CO 0.32 -0.01 -0.76 -0.22 -0.23 0.00 0.00 178.00 177.09 1cnf h LYS 90 N -0.01 0.10 -2.37 0.86 3.64 -2.06 -3.36 116.57 113.37 1cnf h LYS 90 Ca 0.39 -0.10 -0.60 0.00 -1.27 0.00 0.00 60.65 59.08 1cnf h LYS 90 Cb 0.62 0.02 -0.41 0.00 -0.41 0.00 0.00 32.23 32.05 1cnf h LYS 90 CO -0.88 0.81 -0.73 1.19 -2.27 0.00 0.00 179.45 177.57 1cnf n PHE 91 N -3.69 2.27 0.31 1.91 3.72 -0.56 -4.94 117.46 116.47 1cnf n PHE 91 Ca -0.02 -3.99 0.19 0.00 -0.05 0.00 0.00 57.45 53.59 1cnf n PHE 91 Cb 0.73 -0.45 0.93 0.00 -0.94 0.00 0.00 39.48 39.76 1cnf n PHE 91 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1cnf h PRO 92 N 4.56 0.00 -0.66 -1.08 0.11 -1.48 -3.22 132.00 130.23 1cnf h PRO 92 Ca 0.17 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.91 1cnf h PRO 92 Cb 0.75 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 31.65 1cnf h PRO 92 CO 0.69 0.00 0.22 0.27 -0.21 0.00 0.00 178.00 178.97 1cnf n ASN 93 N -2.94 3.48 -0.71 -2.05 6.94 -1.26 -1.06 115.26 117.66 1cnf n ASN 93 Ca -0.01 -3.73 0.02 0.00 -0.02 0.00 0.00 54.58 50.83 1cnf n ASN 93 Cb 0.16 -0.72 -0.00 0.00 -2.36 0.00 0.00 39.78 36.85 1cnf n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cnf n GLY 94 N -1.10 -0.70 3.89 4.83 0.00 -1.22 -4.54 105.19 106.36 1cnf n GLY 94 Ca 0.46 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1cnf n GLY 94 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cnf s GLY 95 N -4.14 1.88 0.06 -0.02 0.00 0.12 -4.88 107.32 100.33 1cnf s GLY 95 Ca 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 44.72 44.17 1cnf s GLY 95 CO 0.00 -0.24 1.20 -2.00 0.00 0.00 0.00 173.10 172.06 1cnf h LEU 96 N 1.41 0.76 -1.19 0.66 5.85 -1.88 -3.35 115.31 117.57 1cnf h LEU 96 Ca -0.47 -0.70 0.00 0.00 0.84 0.00 0.00 57.88 57.54 1cnf h LEU 96 Cb 1.19 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1cnf h LEU 96 CO 0.65 1.35 -0.36 0.80 -0.34 0.00 0.00 178.44 180.54 1cnf n MET 97 N -4.05 1.47 0.01 1.25 1.56 -1.26 -4.35 117.12 111.76 1cnf n MET 97 Ca -0.10 -1.18 -0.19 0.00 -0.27 0.00 0.00 57.70 55.96 1cnf n MET 97 Cb 0.74 -1.46 -0.14 0.00 2.15 0.00 0.00 33.22 34.51 1cnf n MET 97 CO 0.00 0.00 0.00 1.79 -0.73 0.00 0.00 175.97 177.03 1cnf h THR 98 N 2.87 0.72 0.00 1.12 1.35 -1.91 -3.18 112.91 113.88 1cnf h THR 98 Ca 0.00 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 63.43 1cnf h THR 98 Cb 0.79 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.75 1cnf h THR 98 CO 0.00 0.84 0.00 1.56 -0.25 0.00 0.00 175.52 177.67 1cnf h GLN 99 N 0.07 0.00 0.03 4.72 4.20 -1.80 0.14 115.11 122.47 1cnf h GLN 99 Ca -0.39 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.10 1cnf h GLN 99 Cb 2.04 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.81 1cnf h GLN 99 CO 0.10 0.00 -0.98 -0.92 -0.67 0.00 0.00 178.83 176.36 1cnf h TYR 100 N 0.00 0.42 0.07 2.96 3.20 -1.76 -2.36 116.97 119.51 1cnf h TYR 100 Ca 0.00 -0.25 -0.25 0.00 3.14 0.00 0.00 58.73 61.37 1cnf h TYR 100 Cb 0.81 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.04 1cnf h TYR 100 CO 0.00 1.10 -1.11 -0.07 -1.64 0.00 0.00 178.16 176.44 1cnf h LEU 101 N 0.13 0.36 -0.46 2.82 3.38 -1.34 -2.40 115.31 117.80 1cnf h LEU 101 Ca -0.07 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1cnf h LEU 101 Cb 1.65 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1cnf h LEU 101 CO 0.16 1.24 0.00 -0.78 0.09 0.00 0.00 178.44 179.14 1cnf h ASP 102 N 0.09 0.00 -0.14 -0.43 3.58 -0.80 -2.82 116.42 115.90 1cnf h ASP 102 Ca -0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1cnf h ASP 102 Cb 1.81 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.86 1cnf h ASP 102 CO 0.18 0.00 0.00 -1.54 -2.88 0.00 0.00 179.24 175.00 1cnf n SER 103 N -2.34 1.80 -4.73 2.28 3.41 -0.89 -4.88 113.62 108.28 1cnf n SER 103 Ca 0.03 -1.69 -0.37 0.00 -0.26 0.00 0.00 58.87 56.58 1cnf n SER 103 Cb 0.32 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.12 1cnf n SER 103 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1cnf s LEU 104 N -1.67 4.26 0.09 1.04 1.02 -1.07 -5.02 118.68 117.33 1cnf s LEU 104 Ca 0.34 0.67 -0.24 0.00 0.02 0.00 0.00 54.13 54.92 1cnf s LEU 104 Cb 0.19 -2.55 -0.06 0.00 0.02 0.00 0.00 46.19 43.79 1cnf s LEU 104 CO 0.28 0.05 0.75 -2.16 0.02 0.00 0.00 176.35 175.29 1cnf s PRO 105 N 0.53 4.49 -0.36 1.29 0.04 -1.26 -4.96 135.00 134.77 1cnf s PRO 105 Ca 0.22 1.06 -0.33 0.00 0.04 0.00 0.00 61.00 61.98 1cnf s PRO 105 Cb -0.14 -3.32 -0.10 0.00 0.04 0.00 0.00 34.50 30.98 1cnf s PRO 105 CO 0.07 0.41 2.23 1.33 0.04 0.00 0.00 177.00 181.09 1cnf n VAL 106 N 2.30 0.18 0.00 -0.36 0.24 -1.26 -2.09 118.33 117.34 1cnf n VAL 106 Ca -0.04 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1cnf n VAL 106 Cb 0.50 -1.82 0.00 0.00 -1.47 0.00 0.00 33.84 31.04 1cnf n VAL 106 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cnf n GLY 107 N 6.39 0.90 3.72 7.63 0.00 0.38 -4.96 105.19 119.25 1cnf n GLY 107 Ca 0.40 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.07 1cnf n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cnf s SER 108 N 0.00 4.18 0.05 1.61 0.01 -0.89 -4.53 113.70 114.12 1cnf s SER 108 Ca 0.00 2.51 -0.04 0.00 1.31 0.00 0.00 55.95 59.72 1cnf s SER 108 Cb 0.00 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 1cnf s SER 108 CO 0.00 -2.28 0.27 -0.31 0.41 0.00 0.00 173.24 171.32 1cnf s TYR 109 N -1.73 3.54 0.13 2.43 2.02 -1.26 0.08 117.35 122.57 1cnf s TYR 109 Ca 0.78 0.47 0.04 0.00 -0.37 0.00 0.00 57.07 57.99 1cnf s TYR 109 Cb -0.33 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.26 1cnf s TYR 109 CO 0.44 0.57 -0.10 0.42 -1.57 0.00 0.00 175.55 175.32 1cnf s ILE 110 N -1.42 1.08 -0.28 2.71 1.01 0.20 -4.91 121.20 119.58 1cnf s ILE 110 Ca 0.32 -2.00 -0.03 0.00 0.00 0.00 0.00 60.65 58.94 1cnf s ILE 110 Cb -0.13 -1.77 0.11 0.00 0.01 0.00 0.00 42.46 40.68 1cnf s ILE 110 CO 0.21 -0.75 0.20 1.51 0.00 0.00 0.00 174.94 176.11 1cnf s ASP 111 N -3.07 2.59 1.15 3.58 -4.77 -1.26 0.12 116.67 115.01 1cnf s ASP 111 Ca 0.15 -0.97 -0.18 0.00 -3.30 0.00 0.00 52.55 48.25 1cnf s ASP 111 Cb 0.02 0.05 0.26 0.00 -1.09 0.00 0.00 42.92 42.16 1cnf s ASP 111 CO -0.00 -0.41 1.12 1.33 0.70 0.00 0.00 175.17 177.91 1cnf n VAL 112 N 5.28 0.00 -3.15 2.11 0.24 -1.18 -3.24 118.33 118.39 1cnf n VAL 112 Ca -0.04 -0.63 0.05 0.00 -2.04 0.00 0.00 64.34 61.68 1cnf n VAL 112 Cb 0.45 -1.34 -0.01 0.00 -1.47 0.00 0.00 33.84 31.47 1cnf n VAL 112 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1cnf s LYS 113 N -5.50 0.16 0.24 7.34 -2.85 -0.53 -2.72 119.74 115.88 1cnf s LYS 113 Ca 0.69 0.24 0.00 0.00 -1.00 0.00 0.00 55.97 55.90 1cnf s LYS 113 Cb -0.05 0.13 -0.00 0.00 -2.06 0.00 0.00 37.83 35.85 1cnf s LYS 113 CO 0.51 -0.21 0.01 0.41 0.10 0.00 0.00 175.35 176.17 1cnf n GLY 114 N 5.35 3.85 3.56 0.59 0.00 -1.26 -1.97 105.19 115.32 1cnf n GLY 114 Ca -0.02 -2.24 -0.35 0.00 0.00 0.00 0.00 46.02 43.41 1cnf n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cnf s PRO 115 N -2.89 3.84 0.48 1.61 0.04 -1.26 -4.58 135.00 132.24 1cnf s PRO 115 Ca 0.02 -0.41 0.07 0.00 0.04 0.00 0.00 61.00 60.71 1cnf s PRO 115 Cb 0.00 -3.15 0.01 0.00 0.04 0.00 0.00 34.50 31.40 1cnf s PRO 115 CO 0.01 0.19 0.39 -0.51 0.04 0.00 0.00 177.00 177.11 1cnf s LEU 116 N 0.58 3.04 0.00 -3.56 2.01 -0.20 -4.89 118.68 115.66 1cnf s LEU 116 Ca 0.02 -1.01 0.00 0.00 0.01 0.00 0.00 54.13 53.14 1cnf s LEU 116 Cb -0.13 -1.57 0.00 0.00 0.01 0.00 0.00 46.19 44.49 1cnf s LEU 116 CO 0.02 -0.87 0.00 0.61 1.01 0.00 0.00 176.35 177.11 1cnf n GLY 117 N -1.64 -0.78 0.00 -3.19 0.00 -1.26 -0.51 105.19 97.81 1cnf n GLY 117 Ca 0.01 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.80 1cnf n GLY 117 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1cnf n HIS 118 N -0.28 0.00 -4.88 1.61 1.44 -1.26 -5.01 115.22 106.84 1cnf n HIS 118 Ca 0.00 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.38 1cnf n HIS 118 Cb 0.00 0.03 -0.13 0.00 0.12 0.00 0.00 29.99 30.00 1cnf n HIS 118 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1cnf s VAL 119 N 0.00 3.08 -0.15 0.61 1.01 -1.25 -3.40 120.40 120.30 1cnf s VAL 119 Ca 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 1cnf s VAL 119 Cb 0.00 -2.21 0.07 0.00 0.00 0.00 0.00 36.38 34.24 1cnf s VAL 119 CO 0.00 0.59 0.30 -0.70 0.00 0.00 0.00 175.10 175.30 1cnf s GLU 120 N -0.71 0.20 -1.34 2.72 2.12 -1.26 -3.01 118.70 117.42 1cnf s GLU 120 Ca 0.11 0.81 -0.16 0.00 0.36 0.00 0.00 54.97 56.09 1cnf s GLU 120 Cb -0.11 0.05 0.07 0.00 0.26 0.00 0.00 34.13 34.41 1cnf s GLU 120 CO 0.01 -0.27 1.88 0.98 -0.54 0.00 0.00 175.26 177.32 1cnf n TYR 121 N 5.26 4.25 0.00 5.30 9.36 -0.23 -3.91 117.16 137.19 1cnf n TYR 121 Ca -0.08 -2.93 0.00 0.00 3.32 0.00 0.00 57.90 58.21 1cnf n TYR 121 Cb 0.50 -2.54 0.00 0.00 -0.63 0.00 0.00 39.34 36.67 1cnf n TYR 121 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1cnf n THR 122 N 5.69 0.00 0.00 2.97 -2.24 -0.94 -4.73 114.28 115.03 1cnf n THR 122 Ca 0.48 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.26 1cnf n THR 122 Cb 0.43 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1cnf n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cnf n GLY 123 N 0.42 1.96 2.99 3.38 0.00 -1.26 -4.91 105.19 107.77 1cnf n GLY 123 Ca 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 1cnf n GLY 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cnf s ARG 124 N 0.00 0.46 0.00 1.61 0.52 -1.26 -4.90 118.95 115.38 1cnf s ARG 124 Ca 0.00 0.32 0.00 0.00 -0.52 0.00 0.00 55.73 55.53 1cnf s ARG 124 Cb 0.00 -0.11 0.00 0.00 0.52 0.00 0.00 34.95 35.36 1cnf s ARG 124 CO 0.00 -1.00 0.00 0.41 0.02 0.00 0.00 175.30 174.73 1cnf n GLY 125 N 5.38 1.24 3.56 -3.53 0.00 -1.26 -4.83 105.19 105.75 1cnf n GLY 125 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1cnf n GLY 125 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cnf s SER 126 N -0.23 4.52 0.65 1.61 1.04 -1.25 -2.19 113.70 117.86 1cnf s SER 126 Ca 0.00 0.04 0.03 0.00 0.48 0.00 0.00 55.95 56.49 1cnf s SER 126 Cb 0.00 -2.54 0.12 0.00 0.10 0.00 0.00 66.02 63.69 1cnf s SER 126 CO 0.00 -3.19 0.84 0.49 0.98 0.00 0.00 173.24 172.36 1cnf n PHE 127 N 16.08 -2.79 -3.25 5.02 3.01 -0.34 -2.22 117.46 132.97 1cnf n PHE 127 Ca 0.40 -1.68 -0.04 0.00 1.01 0.00 0.00 57.45 57.14 1cnf n PHE 127 Cb 0.47 -0.61 -0.03 0.00 -0.01 0.00 0.00 39.48 39.31 1cnf n PHE 127 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1cnf s VAL 128 N -2.59 -0.81 -0.16 -4.37 1.01 -1.21 0.20 120.40 112.46 1cnf s VAL 128 Ca 0.58 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 1cnf s VAL 128 Cb -0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 1cnf s VAL 128 CO 0.38 -0.16 -0.01 -0.63 0.00 0.00 0.00 175.10 174.67 1cnf s ILE 129 N 1.92 4.11 -1.32 2.22 1.09 0.01 -4.17 121.20 125.07 1cnf s ILE 129 Ca 0.15 -0.28 0.00 0.00 -1.10 0.00 0.00 60.65 59.42 1cnf s ILE 129 Cb -0.08 -2.81 0.00 0.00 -1.06 0.00 0.00 42.46 38.51 1cnf s ILE 129 CO -0.10 0.49 0.00 0.59 -0.10 0.00 0.00 174.94 175.81 1cnf n ASN 130 N 3.50 -3.86 0.00 3.58 4.13 -1.22 -2.27 115.26 119.13 1cnf n ASN 130 Ca -0.17 0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.35 1cnf n ASN 130 Cb 0.52 -3.43 0.00 0.00 -1.54 0.00 0.00 39.78 35.33 1cnf n ASN 130 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cnf n GLY 131 N -0.51 3.40 3.67 7.41 0.00 -1.26 -5.10 105.19 112.79 1cnf n GLY 131 Ca -0.15 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 1cnf n GLY 131 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1cnf s LYS 132 N 0.00 4.16 0.71 1.61 2.20 -0.96 -4.88 119.74 122.59 1cnf s LYS 132 Ca 0.00 2.43 -0.15 0.00 -0.36 0.00 0.00 55.97 57.89 1cnf s LYS 132 Cb 0.00 -4.00 0.03 0.00 -1.51 0.00 0.00 37.83 32.35 1cnf s LYS 132 CO 0.00 -0.88 1.18 -1.14 -0.36 0.00 0.00 175.35 174.15 1cnf s GLN 133 N 4.00 2.29 0.04 4.03 -0.44 -1.26 -0.81 119.66 127.51 1cnf s GLN 133 Ca 0.81 1.68 -0.01 0.00 -2.50 0.00 0.00 55.36 55.34 1cnf s GLN 133 Cb -0.39 -1.86 0.00 0.00 -1.64 0.00 0.00 33.01 29.12 1cnf s GLN 133 CO 0.36 -1.70 0.07 0.54 0.50 0.00 0.00 175.29 175.05 1cnf n ARG 134 N -2.64 0.10 -3.56 1.67 1.74 0.53 -4.79 116.66 109.70 1cnf n ARG 134 Ca 0.13 -0.26 -0.08 0.00 -0.77 0.00 0.00 57.85 56.86 1cnf n ARG 134 Cb 0.51 0.29 -0.04 0.00 -1.02 0.00 0.00 32.46 32.20 1cnf n ARG 134 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1cnf s ASN 135 N -1.22 -0.31 -0.09 0.55 2.47 -1.21 -1.20 114.94 113.93 1cnf s ASN 135 Ca 0.02 0.20 -0.30 0.00 0.42 0.00 0.00 52.86 53.20 1cnf s ASN 135 Cb -0.00 0.29 0.12 0.00 -1.45 0.00 0.00 41.25 40.20 1cnf s ASN 135 CO 0.02 -0.39 0.95 0.00 -3.72 0.00 0.00 177.10 173.96 1cnf s ALA 136 N -1.93 -1.89 -0.09 1.71 0.00 -0.93 -4.76 121.76 113.88 1cnf s ALA 136 Ca 0.03 1.33 0.06 0.00 0.00 0.00 0.00 51.96 53.37 1cnf s ALA 136 Cb -0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 23.12 22.87 1cnf s ALA 136 CO -0.03 -0.50 0.00 -2.13 0.00 0.00 0.00 175.76 173.10 1cnf n ARG 137 N 0.24 2.13 -3.58 0.00 0.63 0.03 -4.34 116.66 111.78 1cnf n ARG 137 Ca -0.09 0.01 -0.39 0.00 -0.92 0.00 0.00 57.85 56.46 1cnf n ARG 137 Cb 0.60 -1.21 -0.11 0.00 0.45 0.00 0.00 32.46 32.19 1cnf n ARG 137 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1cnf s ARG 138 N -2.20 3.82 -0.18 -0.14 0.52 -1.10 0.82 118.95 120.48 1cnf s ARG 138 Ca -0.06 -0.41 -0.02 0.00 -0.52 0.00 0.00 55.73 54.72 1cnf s ARG 138 Cb 0.03 -3.68 -0.01 0.00 0.52 0.00 0.00 34.95 31.81 1cnf s ARG 138 CO 0.32 -0.25 -0.10 -0.51 0.02 0.00 0.00 175.30 174.78 1cnf s LEU 139 N 1.74 2.71 -0.27 2.53 1.43 0.19 -1.77 118.68 125.24 1cnf s LEU 139 Ca 0.07 -0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 52.66 1cnf s LEU 139 Cb -0.16 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 1cnf s LEU 139 CO 0.11 0.06 0.17 0.00 0.23 0.00 0.00 176.35 176.91 1cnf s ALA 140 N 1.01 3.50 -0.06 4.21 0.00 -0.17 0.01 121.76 130.25 1cnf s ALA 140 Ca -0.01 -1.05 0.06 0.00 0.00 0.00 0.00 51.96 50.96 1cnf s ALA 140 Cb -0.15 -2.40 -0.01 0.00 0.00 0.00 0.00 23.12 20.57 1cnf s ALA 140 CO -0.01 -0.47 -0.25 -1.64 0.00 0.00 0.00 175.76 173.39 1cnf s MET 141 N 1.60 2.57 -0.15 0.00 -1.94 0.12 -0.90 119.30 120.59 1cnf s MET 141 Ca 0.07 -0.90 -0.04 0.00 -1.71 0.00 0.00 55.69 53.11 1cnf s MET 141 Cb -0.15 -2.17 0.07 0.00 2.01 0.00 0.00 34.83 34.59 1cnf s MET 141 CO 0.09 0.38 0.23 0.42 -0.01 0.00 0.00 175.02 176.13 1cnf s ILE 142 N -0.16 -0.37 0.13 2.53 1.09 -1.03 -1.91 121.20 121.49 1cnf s ILE 142 Ca -0.04 0.16 -0.09 0.00 -1.10 0.00 0.00 60.65 59.58 1cnf s ILE 142 Cb -0.14 -0.50 -0.01 0.00 -1.06 0.00 0.00 42.46 40.75 1cnf s ILE 142 CO 0.04 0.01 0.24 0.00 -0.10 0.00 0.00 174.94 175.13 1cnf s GLY 144 N -2.92 0.41 0.00 0.00 0.00 -1.20 -1.08 107.32 102.53 1cnf s GLY 144 Ca 0.12 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.15 1cnf s GLY 144 CO -0.05 -0.74 0.00 0.61 0.00 0.00 0.00 173.10 172.92 1cnf n GLY 145 N 1.58 0.98 0.01 0.20 0.00 -0.87 -2.19 105.19 104.90 1cnf n GLY 145 Ca -0.23 0.55 0.11 0.00 0.00 0.00 0.00 46.02 46.45 1cnf n GLY 145 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cnf n SER 146 N 9.08 0.71 -0.39 1.61 3.41 -1.26 -4.26 113.62 122.51 1cnf n SER 146 Ca 0.00 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 58.04 1cnf n SER 146 Cb 0.00 0.99 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 1cnf n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cnf n GLY 147 N 1.43 0.63 0.08 5.00 0.00 -0.93 -2.81 105.19 108.60 1cnf n GLY 147 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1cnf n GLY 147 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1cnf h ILE 148 N 0.00 0.96 -0.79 -0.61 6.09 -1.79 -3.38 117.51 118.00 1cnf h ILE 148 Ca 0.00 -2.79 0.04 0.00 -1.37 0.00 0.00 64.86 60.74 1cnf h ILE 148 Cb 0.26 2.49 -0.05 0.00 0.47 0.00 0.00 36.82 39.99 1cnf h ILE 148 CO 0.00 0.58 0.49 0.71 -3.07 0.00 0.00 178.15 176.86 1cnf h THR 149 N 0.01 1.08 -0.61 2.19 1.35 -1.86 0.58 112.91 115.64 1cnf h THR 149 Ca -0.25 -0.32 0.10 0.00 -0.55 0.00 0.00 66.41 65.39 1cnf h THR 149 Cb 1.98 0.06 -0.04 0.00 -1.73 0.00 0.00 68.15 68.43 1cnf h THR 149 CO 0.09 0.17 0.41 -0.65 -0.25 0.00 0.00 175.52 175.29 1cnf h PRO 150 N 0.93 0.41 0.05 4.72 0.11 -1.81 -2.15 132.00 134.27 1cnf h PRO 150 Ca 0.33 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.41 1cnf h PRO 150 Cb 0.08 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1cnf h PRO 150 CO -0.14 0.27 -0.03 0.52 -0.21 0.00 0.00 178.00 178.42 1cnf h MET 151 N 0.42 -0.07 -0.90 1.05 2.86 -1.24 -3.36 114.93 113.69 1cnf h MET 151 Ca 0.28 0.00 0.22 0.00 -2.06 0.00 0.00 59.70 58.14 1cnf h MET 151 Cb 0.54 0.02 -0.12 0.00 0.06 0.00 0.00 31.60 32.10 1cnf h MET 151 CO -0.08 0.54 0.42 -0.92 1.06 0.00 0.00 176.91 177.93 1cnf h TYR 152 N -0.86 0.70 -0.44 -0.22 5.03 0.59 0.36 116.97 122.12 1cnf h TYR 152 Ca -0.01 0.04 0.06 0.00 2.58 0.00 0.00 58.73 61.41 1cnf h TYR 152 Cb 0.64 -0.17 -0.06 0.00 1.55 0.00 0.00 36.73 38.70 1cnf h TYR 152 CO 0.15 -0.02 0.12 0.37 -1.32 0.00 0.00 178.16 177.47 1cnf h GLN 153 N 0.44 0.27 0.53 1.82 4.15 -1.56 0.53 115.11 121.28 1cnf h GLN 153 Ca 0.56 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.94 1cnf h GLN 153 Cb 1.04 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.67 1cnf h GLN 153 CO -0.51 0.18 -0.25 0.82 -1.93 0.00 0.00 178.83 177.13 1cnf h ILE 154 N 0.28 0.33 -0.96 2.39 2.04 -0.99 -1.10 117.51 119.50 1cnf h ILE 154 Ca 0.21 -0.39 0.28 0.00 1.00 0.00 0.00 64.86 65.96 1cnf h ILE 154 Cb 0.24 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1cnf h ILE 154 CO -0.25 0.05 0.79 0.40 0.00 0.00 0.00 178.15 179.14 1cnf h ILE 155 N -1.00 0.35 0.00 -0.67 1.08 -0.07 0.62 117.51 117.82 1cnf h ILE 155 Ca -0.07 0.00 -0.22 0.00 -0.39 0.00 0.00 64.86 64.18 1cnf h ILE 155 Cb 0.62 0.42 -0.04 0.00 -3.07 0.00 0.00 36.82 34.76 1cnf h ILE 155 CO 0.12 0.00 -1.30 -0.61 -0.69 0.00 0.00 178.15 175.67 1cnf h GLN 156 N 0.00 0.00 -0.09 2.37 4.15 0.49 -3.34 115.11 118.69 1cnf h GLN 156 Ca 0.46 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.69 1cnf h GLN 156 Cb 2.03 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.72 1cnf h GLN 156 CO -0.00 0.59 -0.73 0.00 -1.93 0.00 0.00 178.83 176.75 1cnf h ALA 157 N 1.15 0.56 -0.29 3.38 0.00 0.15 -2.67 119.26 121.54 1cnf h ALA 157 Ca -0.15 -0.60 -0.19 0.00 0.00 0.00 0.00 54.91 53.97 1cnf h ALA 157 Cb 1.78 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1cnf h ALA 157 CO 0.08 0.75 -0.56 0.28 0.00 0.00 0.00 179.25 179.81 1cnf h VAL 158 N 0.31 1.27 -0.68 0.00 2.07 -1.59 -2.89 116.25 114.74 1cnf h VAL 158 Ca -0.03 -1.74 -0.06 0.00 0.82 0.00 0.00 66.70 65.69 1cnf h VAL 158 Cb 1.31 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 1cnf h VAL 158 CO 0.13 0.57 0.19 -0.07 0.02 0.00 0.00 177.57 178.41 1cnf h LEU 159 N 0.68 1.00 0.00 2.57 3.38 -1.68 -0.28 115.31 120.97 1cnf h LEU 159 Ca 0.01 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1cnf h LEU 159 Cb 1.17 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1cnf h LEU 159 CO 0.12 0.94 0.00 0.54 0.09 0.00 0.00 178.44 180.14 1cnf n ARG 160 N -4.25 0.78 -1.02 1.13 1.74 -1.01 -1.80 116.66 112.24 1cnf n ARG 160 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1cnf n ARG 160 Cb 0.24 -1.08 0.15 0.00 -1.02 0.00 0.00 32.46 30.75 1cnf n ARG 160 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1cnf n ASP 161 N -0.58 2.22 -4.70 0.55 -0.08 -0.12 -5.05 116.55 108.79 1cnf n ASP 161 Ca 0.03 -3.63 -0.40 0.00 -1.51 0.00 0.00 54.79 49.29 1cnf n ASP 161 Cb 0.01 -0.47 -0.05 0.00 2.34 0.00 0.00 41.12 42.95 1cnf n ASP 161 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1cnf s GLN 162 N -2.98 4.38 -0.54 -0.67 -1.52 -0.74 -1.17 119.66 116.40 1cnf s GLN 162 Ca 0.40 0.80 0.07 0.00 -1.95 0.00 0.00 55.36 54.67 1cnf s GLN 162 Cb 0.38 -3.48 0.32 0.00 -0.22 0.00 0.00 33.01 30.00 1cnf s GLN 162 CO -0.06 -0.01 0.84 -0.35 -0.25 0.00 0.00 175.29 175.46 1cnf n PRO 163 N 4.11 2.53 -0.00 2.91 -0.04 -1.26 -5.01 135.00 138.24 1cnf n PRO 163 Ca -0.01 -4.46 0.08 0.00 -0.04 0.00 0.00 63.50 59.06 1cnf n PRO 163 Cb 0.51 -2.08 -0.10 0.00 -0.04 0.00 0.00 33.50 31.78 1cnf n PRO 163 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1cnf n GLU 164 N 0.19 1.25 -2.76 0.54 4.07 -0.32 -4.79 120.64 118.82 1cnf n GLU 164 Ca 0.29 -0.07 -0.42 0.00 -0.06 0.00 0.00 57.16 56.90 1cnf n GLU 164 Cb 0.45 -1.30 -0.04 0.00 -0.06 0.00 0.00 31.44 30.50 1cnf n GLU 164 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1cnf s ASP 165 N -3.09 6.20 -0.05 4.31 -1.08 -0.66 -4.88 116.67 117.42 1cnf s ASP 165 Ca 0.00 -0.70 0.15 0.00 -0.52 0.00 0.00 52.55 51.48 1cnf s ASP 165 Cb 0.11 -2.47 0.53 0.00 -1.46 0.00 0.00 42.92 39.63 1cnf s ASP 165 CO 0.65 -1.53 1.42 1.41 0.52 0.00 0.00 175.17 177.64 1cnf n HIS 166 N 8.18 0.99 -1.68 -5.34 8.25 -1.26 -4.89 115.22 119.47 1cnf n HIS 166 Ca -0.01 -0.42 -0.42 0.00 -0.26 0.00 0.00 57.72 56.61 1cnf n HIS 166 Cb 0.47 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 31.43 1cnf n HIS 166 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1cnf s THR 167 N -1.57 3.05 -0.12 1.59 2.01 -1.26 -4.95 115.64 114.39 1cnf s THR 167 Ca 0.38 0.06 -0.26 0.00 0.31 0.00 0.00 61.69 62.18 1cnf s THR 167 Cb 0.23 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.68 1cnf s THR 167 CO 0.21 -0.01 0.83 -1.61 -0.69 0.00 0.00 174.62 173.35 1cnf s GLU 168 N 4.77 4.37 -0.16 4.92 2.02 0.24 -4.88 118.70 129.99 1cnf s GLU 168 Ca 0.90 1.06 -0.00 0.00 0.02 0.00 0.00 54.97 56.94 1cnf s GLU 168 Cb -0.40 -3.53 -0.00 0.00 0.10 0.00 0.00 34.13 30.29 1cnf s GLU 168 CO 0.40 -0.20 -0.14 -1.64 0.02 0.00 0.00 175.26 173.70 1cnf s MET 169 N 1.68 3.26 -0.29 1.61 -1.94 0.82 0.54 119.30 124.99 1cnf s MET 169 Ca 0.40 -0.72 -0.00 0.00 -1.71 0.00 0.00 55.69 53.66 1cnf s MET 169 Cb -0.17 -2.67 0.06 0.00 2.01 0.00 0.00 34.83 34.06 1cnf s MET 169 CO 0.16 0.03 -0.03 -1.01 -0.01 0.00 0.00 175.02 174.16 1cnf s HIS 170 N 0.81 3.29 0.00 -0.03 3.76 0.10 -1.11 115.29 122.11 1cnf s HIS 170 Ca -0.05 -2.07 0.00 0.00 -0.15 0.00 0.00 55.06 52.80 1cnf s HIS 170 Cb -0.15 -2.12 -0.04 0.00 1.11 0.00 0.00 32.58 31.38 1cnf s HIS 170 CO 0.00 -0.84 0.06 -1.17 -0.85 0.00 0.00 174.74 171.94 1cnf s LEU 171 N 1.19 3.79 -0.15 0.89 2.96 0.10 0.15 118.68 127.61 1cnf s LEU 171 Ca -0.05 0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 1cnf s LEU 171 Cb -0.20 -2.21 0.05 0.00 0.50 0.00 0.00 46.19 44.33 1cnf s LEU 171 CO -0.03 0.27 0.00 -0.69 -1.32 0.00 0.00 176.35 174.59 1cnf s VAL 172 N -1.17 0.62 -0.33 1.68 1.01 -0.80 -2.84 120.40 118.57 1cnf s VAL 172 Ca 0.22 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1cnf s VAL 172 Cb -0.12 -0.94 0.09 0.00 0.00 0.00 0.00 36.38 35.41 1cnf s VAL 172 CO 0.13 0.01 0.03 -0.47 0.00 0.00 0.00 175.10 174.81 1cnf s TYR 173 N 1.84 3.56 0.47 5.22 5.04 -0.64 -2.69 117.35 130.15 1cnf s TYR 173 Ca 0.01 -2.61 -0.16 0.00 -2.44 0.00 0.00 57.07 51.88 1cnf s TYR 173 Cb -0.15 -2.63 -0.08 0.00 0.35 0.00 0.00 41.96 39.45 1cnf s TYR 173 CO -0.07 -0.92 0.92 0.00 -1.34 0.00 0.00 175.55 174.14 1cnf s ALA 174 N 1.03 3.14 0.00 3.97 0.00 -0.24 -2.29 121.76 127.37 1cnf s ALA 174 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1cnf s ALA 174 Cb -0.20 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1cnf s ALA 174 CO -0.06 -0.11 0.00 0.09 0.00 0.00 0.00 175.76 175.69 1cnf n ASN 175 N -1.33 0.00 -0.02 0.00 3.02 -0.90 -2.05 115.26 113.99 1cnf n ASN 175 Ca 0.05 -0.48 -0.00 0.00 -0.03 0.00 0.00 54.58 54.13 1cnf n ASN 175 Cb 0.54 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.67 1cnf n ASN 175 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1cnf n ARG 176 N 0.00 1.83 -3.66 3.52 5.12 -1.26 -3.09 116.66 119.12 1cnf n ARG 176 Ca 0.00 -0.02 -0.10 0.00 -1.93 0.00 0.00 57.85 55.79 1cnf n ARG 176 Cb 0.00 -1.14 -0.03 0.00 -1.16 0.00 0.00 32.46 30.13 1cnf n ARG 176 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1cnf s THR 177 N -2.25 0.03 0.11 0.55 -1.32 -1.26 -1.24 115.64 110.26 1cnf s THR 177 Ca -0.02 -0.58 -0.21 0.00 -1.21 0.00 0.00 61.69 59.66 1cnf s THR 177 Cb 0.03 -1.41 -0.10 0.00 -1.51 0.00 0.00 72.50 69.51 1cnf s THR 177 CO 0.23 -0.11 1.74 1.05 -2.21 0.00 0.00 174.62 175.32 1cnf h GLU 178 N 2.16 0.07 0.00 7.08 4.11 -1.97 -1.74 114.58 124.30 1cnf h GLU 178 Ca -0.30 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1cnf h GLU 178 Cb 1.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1cnf h GLU 178 CO 0.38 0.05 0.00 -0.25 0.07 0.00 0.00 179.01 179.26 1cnf n ASP 179 N -5.07 0.00 -0.44 3.06 8.00 -1.26 -1.86 116.55 118.98 1cnf n ASP 179 Ca -0.05 -0.59 0.04 0.00 0.71 0.00 0.00 54.79 54.90 1cnf n ASP 179 Cb 0.05 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.26 1cnf n ASP 179 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1cnf n ASP 180 N -0.69 2.68 -4.59 -2.24 9.92 -0.66 -4.91 116.55 116.07 1cnf n ASP 180 Ca 0.03 -2.10 -0.43 0.00 -0.53 0.00 0.00 54.79 51.77 1cnf n ASP 180 Cb 0.02 -0.19 -0.02 0.00 -0.64 0.00 0.00 41.12 40.29 1cnf n ASP 180 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1cnf s ILE 181 N -1.17 4.13 0.00 0.53 1.01 -0.78 -4.83 121.20 120.09 1cnf s ILE 181 Ca 0.17 1.07 0.00 0.00 0.00 0.00 0.00 60.65 61.90 1cnf s ILE 181 Cb 0.10 -4.66 0.00 0.00 0.01 0.00 0.00 42.46 37.91 1cnf s ILE 181 CO 0.10 -1.16 0.00 0.18 0.00 0.00 0.00 174.94 174.07 1cnf n LEU 182 N 8.09 0.00 -4.55 2.97 4.32 -1.26 -4.37 117.00 122.20 1cnf n LEU 182 Ca 0.10 0.00 -0.37 0.00 -0.02 0.00 0.00 56.01 55.72 1cnf n LEU 182 Cb 0.49 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.26 1cnf n LEU 182 CO 0.72 0.00 1.75 -0.76 -1.22 0.00 0.00 177.39 177.87 1cnf s LEU 183 N 0.00 3.32 -0.07 2.23 1.43 -1.26 -4.66 118.68 119.67 1cnf s LEU 183 Ca 0.00 0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 53.66 1cnf s LEU 183 Cb 0.00 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1cnf s LEU 183 CO 0.00 -2.59 -0.09 -1.14 0.23 0.00 0.00 176.35 172.76 1cnf n ARG 184 N 9.12 0.17 -0.08 1.70 0.63 -1.26 -4.25 116.66 122.68 1cnf n ARG 184 Ca 0.27 0.06 -0.10 0.00 -0.92 0.00 0.00 57.85 57.16 1cnf n ARG 184 Cb 0.53 -0.90 -0.03 0.00 0.45 0.00 0.00 32.46 32.50 1cnf n ARG 184 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1cnf h ASP 185 N -0.18 0.36 -0.33 6.15 5.19 -1.94 0.18 116.42 125.86 1cnf h ASP 185 Ca -0.18 -0.18 0.05 0.00 -0.62 0.00 0.00 57.03 56.09 1cnf h ASP 185 Cb 1.20 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.57 1cnf h ASP 185 CO -0.08 0.45 0.07 1.05 -3.12 0.00 0.00 179.24 177.60 1cnf h GLU 186 N 0.25 0.18 -0.36 3.56 9.09 -1.94 0.26 114.58 125.61 1cnf h GLU 186 Ca 0.08 -0.01 -0.08 0.00 0.05 0.00 0.00 59.36 59.40 1cnf h GLU 186 Cb 0.21 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.26 1cnf h GLU 186 CO -0.00 0.12 -0.09 -0.07 0.05 0.00 0.00 179.01 179.01 1cnf h LEU 187 N 0.18 0.71 -0.14 3.06 3.38 -1.68 -1.90 115.31 118.92 1cnf h LEU 187 Ca 0.15 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1cnf h LEU 187 Cb 0.17 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1cnf h LEU 187 CO -0.20 0.91 0.00 0.47 0.09 0.00 0.00 178.44 179.71 1cnf n ASP 188 N -4.38 0.15 -0.07 -0.43 8.00 0.61 -0.20 116.55 120.23 1cnf n ASP 188 Ca -0.02 0.54 -0.06 0.00 0.71 0.00 0.00 54.79 55.96 1cnf n ASP 188 Cb 0.35 -0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 40.85 1cnf n ASP 188 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1cnf h ARG 189 N 0.00 0.00 -0.28 -1.24 2.43 -0.17 -3.35 114.38 111.77 1cnf h ARG 189 Ca 0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1cnf h ARG 189 Cb 0.30 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1cnf h ARG 189 CO 0.00 0.23 0.06 -1.49 -1.51 0.00 0.00 179.97 177.25 1cnf h TRP 190 N -1.00 0.10 -1.12 2.20 6.55 -1.24 -1.48 115.95 119.95 1cnf h TRP 190 Ca -0.04 0.02 0.44 0.00 0.95 0.00 0.00 58.89 60.25 1cnf h TRP 190 Cb 0.45 -0.00 -0.16 0.00 -0.86 0.00 0.00 29.16 28.58 1cnf h TRP 190 CO -0.04 0.03 0.66 0.00 -1.05 0.00 0.00 178.44 178.03 1cnf n ALA 191 N -2.34 1.14 -0.06 1.49 0.00 0.72 -0.05 120.51 121.41 1cnf n ALA 191 Ca -0.01 0.95 -0.15 0.00 0.00 0.00 0.00 53.44 54.24 1cnf n ALA 191 Cb 0.12 -1.02 -0.13 0.00 0.00 0.00 0.00 19.45 18.42 1cnf n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cnf h ALA 192 N 1.83 0.01 0.09 0.00 0.00 -1.42 -3.17 119.26 116.60 1cnf h ALA 192 Ca 0.85 -0.57 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1cnf h ALA 192 Cb 2.43 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 20.24 1cnf h ALA 192 CO -0.65 0.09 -0.35 0.93 0.00 0.00 0.00 179.25 179.27 1cnf h GLU 193 N -0.93 -0.54 -1.90 0.00 4.39 0.11 -3.32 114.58 112.40 1cnf h GLU 193 Ca -0.04 0.04 -0.63 0.00 0.34 0.00 0.00 59.36 59.07 1cnf h GLU 193 Cb 1.09 0.12 -0.39 0.00 -0.10 0.00 0.00 28.75 29.47 1cnf h GLU 193 CO 0.00 -0.36 -0.38 0.66 -1.16 0.00 0.00 179.01 177.78 1cnf n TYR 194 N -5.43 3.56 0.29 4.33 4.02 0.54 -4.81 117.16 119.66 1cnf n TYR 194 Ca -0.06 -3.31 0.19 0.00 -0.01 0.00 0.00 57.90 54.71 1cnf n TYR 194 Cb 0.34 -0.43 0.98 0.00 -0.02 0.00 0.00 39.34 40.21 1cnf n TYR 194 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1cnf h PRO 195 N 2.89 0.00 0.00 -0.72 0.13 -1.65 0.43 132.00 133.07 1cnf h PRO 195 Ca 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 1cnf h PRO 195 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 1cnf h PRO 195 CO 0.93 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.30 1cnf n ASP 196 N -3.34 0.00 0.00 1.44 5.75 -1.26 -3.82 116.55 115.32 1cnf n ASP 196 Ca -0.01 0.35 0.00 0.00 -0.01 0.00 0.00 54.79 55.12 1cnf n ASP 196 Cb 0.23 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 1cnf n ASP 196 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1cnf n ARG 197 N -1.42 0.00 -3.66 0.11 1.85 0.15 -4.92 116.66 108.78 1cnf n ARG 197 Ca 0.04 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.63 1cnf n ARG 197 Cb 0.12 -0.36 -0.17 0.00 -1.05 0.00 0.00 32.46 31.00 1cnf n ARG 197 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1cnf s LEU 198 N 0.00 0.54 -0.22 2.89 2.96 -0.95 -0.13 118.68 123.77 1cnf s LEU 198 Ca 0.00 -0.56 -0.09 0.00 -0.22 0.00 0.00 54.13 53.26 1cnf s LEU 198 Cb 0.00 -0.33 -0.04 0.00 0.50 0.00 0.00 46.19 46.32 1cnf s LEU 198 CO 0.00 -0.32 0.11 -0.54 -1.32 0.00 0.00 176.35 174.28 1cnf s LYS 199 N 2.06 3.96 -0.11 1.98 -0.14 -0.26 -4.62 119.74 122.61 1cnf s LYS 199 Ca 0.02 -0.33 0.02 0.00 -1.36 0.00 0.00 55.97 54.31 1cnf s LYS 199 Cb -0.16 -3.38 -0.01 0.00 -1.68 0.00 0.00 37.83 32.60 1cnf s LYS 199 CO -0.08 0.09 -0.17 0.08 -0.76 0.00 0.00 175.35 174.51 1cnf s VAL 200 N 0.91 2.69 -0.09 3.17 1.01 -1.26 -0.72 120.40 126.11 1cnf s VAL 200 Ca 0.06 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 1cnf s VAL 200 Cb -0.13 -2.08 0.05 0.00 0.00 0.00 0.00 36.38 34.21 1cnf s VAL 200 CO 0.03 0.55 0.17 0.86 0.00 0.00 0.00 175.10 176.71 1cnf s TRP 201 N 0.17 -0.20 -0.08 5.22 -0.11 -1.13 -5.01 118.94 117.80 1cnf s TRP 201 Ca -0.10 0.63 -0.16 0.00 1.22 0.00 0.00 56.10 57.70 1cnf s TRP 201 Cb -0.16 -0.24 -0.05 0.00 -1.50 0.00 0.00 33.47 31.52 1cnf s TRP 201 CO 0.06 -0.29 0.41 0.71 -4.62 0.00 0.00 176.95 173.21 1cnf s TYR 202 N 2.31 3.59 -0.11 5.86 2.02 -1.26 -1.62 117.35 128.13 1cnf s TYR 202 Ca 0.03 0.86 0.03 0.00 -0.37 0.00 0.00 57.07 57.62 1cnf s TYR 202 Cb -0.12 -2.39 0.01 0.00 -0.40 0.00 0.00 41.96 39.05 1cnf s TYR 202 CO -0.06 0.38 -0.21 0.08 -1.57 0.00 0.00 175.55 174.17 1cnf s VAL 203 N -0.12 1.90 0.00 0.71 1.01 -0.97 -2.13 120.40 120.81 1cnf s VAL 203 Ca 0.23 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1cnf s VAL 203 Cb -0.15 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1cnf s VAL 203 CO 0.10 0.52 -0.09 0.27 0.00 0.00 0.00 175.10 175.91 1cnf s ILE 204 N 0.62 0.67 0.24 2.22 -4.36 -1.08 -2.11 121.20 117.40 1cnf s ILE 204 Ca -0.13 -0.46 -0.07 0.00 -0.26 0.00 0.00 60.65 59.74 1cnf s ILE 204 Cb -0.17 -0.58 0.24 0.00 1.25 0.00 0.00 42.46 43.20 1cnf s ILE 204 CO 0.03 0.12 1.92 -0.78 0.24 0.00 0.00 174.94 176.47 1cnf h ASP 205 N 5.75 1.10 -2.50 4.36 3.58 -1.51 0.52 116.42 127.72 1cnf h ASP 205 Ca -0.31 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.10 1cnf h ASP 205 Cb 1.18 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.96 1cnf h ASP 205 CO 0.49 0.79 -0.01 0.00 -2.88 0.00 0.00 179.24 177.62 1cnf n GLN 206 N -4.42 0.85 -3.29 0.28 6.02 -0.37 -4.42 117.38 112.03 1cnf n GLN 206 Ca 0.11 -0.10 -0.11 0.00 -0.01 0.00 0.00 57.00 56.89 1cnf n GLN 206 Cb 0.02 0.06 -0.05 0.00 1.02 0.00 0.00 30.24 31.28 1cnf n GLN 206 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1cnf s VAL 207 N -1.61 -0.55 0.12 5.09 1.01 -1.26 -4.52 120.40 118.68 1cnf s VAL 207 Ca 0.01 -0.71 -0.24 0.00 0.00 0.00 0.00 61.98 61.03 1cnf s VAL 207 Cb 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.89 1cnf s VAL 207 CO 0.00 -0.39 1.40 1.17 0.00 0.00 0.00 175.10 177.28 1cnf n LYS 208 N 4.21 -0.34 -3.61 2.72 4.81 -1.26 -4.30 118.16 120.40 1cnf n LYS 208 Ca 0.12 1.37 -0.29 0.00 -0.87 0.00 0.00 58.31 58.64 1cnf n LYS 208 Cb 0.49 -2.03 -0.14 0.00 0.02 0.00 0.00 35.03 33.37 1cnf n LYS 208 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1cnf s ARG 209 N -4.98 0.56 0.00 1.64 1.04 -1.26 -4.95 118.95 110.99 1cnf s ARG 209 Ca -0.09 -1.03 0.27 0.00 -1.04 0.00 0.00 55.73 53.84 1cnf s ARG 209 Cb 0.09 -1.60 1.54 0.00 -2.04 0.00 0.00 34.95 32.94 1cnf s ARG 209 CO 0.48 -1.06 1.97 -0.35 -0.04 0.00 0.00 175.30 176.30 1cnf n PRO 210 N 4.70 0.69 0.26 3.89 -0.04 -1.26 -2.64 135.00 140.59 1cnf n PRO 210 Ca 0.00 0.01 0.18 0.00 -0.04 0.00 0.00 63.50 63.66 1cnf n PRO 210 Cb 0.40 -1.50 0.89 0.00 -0.04 0.00 0.00 33.50 33.25 1cnf n PRO 210 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1cnf h GLU 211 N 0.00 0.00 0.00 0.54 4.11 -1.96 -1.86 114.58 115.42 1cnf h GLU 211 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 1cnf h GLU 211 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1cnf h GLU 211 CO 0.00 0.00 -0.51 0.93 0.07 0.00 0.00 179.01 179.50 1cnf h GLU 212 N 0.00 0.00 0.00 1.06 5.08 -1.95 -3.51 114.58 115.26 1cnf h GLU 212 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1cnf h GLU 212 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1cnf h GLU 212 CO -0.00 0.52 0.00 0.41 -1.00 0.00 0.00 179.01 178.93 1cnf n GLY 213 N 1.60 0.60 3.65 -3.84 0.00 -0.70 -5.09 105.19 101.40 1cnf n GLY 213 Ca -0.14 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 1cnf n GLY 213 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1cnf s TRP 214 N -0.20 2.68 -0.09 1.61 -0.11 -1.26 -4.91 118.94 116.65 1cnf s TRP 214 Ca 0.00 0.88 0.21 0.00 1.22 0.00 0.00 56.10 58.41 1cnf s TRP 214 Cb 0.00 -3.72 -0.26 0.00 -1.50 0.00 0.00 33.47 27.99 1cnf s TRP 214 CO 0.00 -1.92 0.53 0.36 -4.62 0.00 0.00 176.95 171.31 1cnf n LYS 215 N 7.00 0.65 -0.60 5.86 0.00 -1.26 -4.98 118.16 124.83 1cnf n LYS 215 Ca 0.15 -0.09 -0.21 0.00 -0.00 0.00 0.00 58.31 58.15 1cnf n LYS 215 Cb 0.45 -1.59 0.19 0.00 -0.00 0.00 0.00 35.03 34.08 1cnf n LYS 215 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1cnf n TYR 216 N -2.44 -3.55 -1.29 5.58 4.01 -1.26 -5.00 117.16 113.20 1cnf n TYR 216 Ca -0.08 -0.68 -0.29 0.00 -0.16 0.00 0.00 57.90 56.69 1cnf n TYR 216 Cb 0.67 -0.83 0.15 0.00 -0.31 0.00 0.00 39.34 39.02 1cnf n TYR 216 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1cnf s SER 217 N -3.41 3.28 -0.04 7.72 0.01 -0.91 -4.98 113.70 115.38 1cnf s SER 217 Ca 0.50 1.26 0.00 0.00 1.31 0.00 0.00 55.95 59.02 1cnf s SER 217 Cb -0.06 -1.92 0.03 0.00 0.21 0.00 0.00 66.02 64.27 1cnf s SER 217 CO 0.39 -2.73 -0.02 -0.69 0.41 0.00 0.00 173.24 170.60 1cnf s VAL 218 N -3.03 0.34 -0.54 3.43 1.01 -1.26 -2.65 120.40 117.70 1cnf s VAL 218 Ca 0.64 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1cnf s VAL 218 Cb -0.17 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.79 1cnf s VAL 218 CO 0.56 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.47 1cnf n GLY 219 N 4.29 0.24 4.01 4.51 0.00 0.18 -4.84 105.19 113.58 1cnf n GLY 219 Ca -0.22 -1.87 -0.19 0.00 0.00 0.00 0.00 46.02 43.73 1cnf n GLY 219 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1cnf s PHE 220 N -0.78 2.24 -0.07 1.61 -0.12 -1.26 -3.72 117.98 115.89 1cnf s PHE 220 Ca 0.00 -0.41 -0.18 0.00 -0.05 0.00 0.00 56.93 56.29 1cnf s PHE 220 Cb 0.00 -2.48 -0.05 0.00 -0.63 0.00 0.00 43.02 39.86 1cnf s PHE 220 CO 0.00 -0.89 0.50 0.08 -0.05 0.00 0.00 175.22 174.85 1cnf s VAL 221 N -2.62 5.09 0.17 -2.49 1.01 -1.26 -4.98 120.40 115.31 1cnf s VAL 221 Ca 0.59 1.01 -0.17 0.00 0.00 0.00 0.00 61.98 63.41 1cnf s VAL 221 Cb -0.08 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.50 1cnf s VAL 221 CO 0.37 0.40 0.47 0.42 0.00 0.00 0.00 175.10 176.76 1cnf s THR 222 N 0.11 0.04 0.22 3.92 -4.23 -1.26 -4.90 115.64 109.54 1cnf s THR 222 Ca 0.27 -0.69 -0.03 0.00 -1.18 0.00 0.00 61.69 60.06 1cnf s THR 222 Cb -0.16 -1.42 0.33 0.00 1.34 0.00 0.00 72.50 72.59 1cnf s THR 222 CO 0.13 -0.19 1.17 1.21 -0.54 0.00 0.00 174.62 176.40 1cnf n GLU 223 N -0.30 -0.06 0.13 3.99 2.13 -1.26 0.92 120.64 126.19 1cnf n GLU 223 Ca -0.12 1.15 -0.13 0.00 0.66 0.00 0.00 57.16 58.71 1cnf n GLU 223 Cb 0.63 -1.76 -0.06 0.00 0.27 0.00 0.00 31.44 30.52 1cnf n GLU 223 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1cnf h ALA 224 N 1.50 -0.36 -0.47 4.31 0.00 -1.98 0.78 119.26 123.04 1cnf h ALA 224 Ca 0.40 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.34 1cnf h ALA 224 Cb 0.73 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 1cnf h ALA 224 CO -0.74 -0.73 0.09 0.28 0.00 0.00 0.00 179.25 178.15 1cnf h VAL 225 N -0.39 0.74 -0.56 0.00 2.07 0.16 0.28 116.25 118.54 1cnf h VAL 225 Ca 0.01 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1cnf h VAL 225 Cb 0.38 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1cnf h VAL 225 CO -0.06 0.04 0.21 -0.07 0.02 0.00 0.00 177.57 177.71 1cnf h LEU 226 N 0.22 0.79 0.53 2.57 4.07 -0.32 -2.02 115.31 121.16 1cnf h LEU 226 Ca 0.23 -0.18 -0.03 0.00 0.08 0.00 0.00 57.88 57.99 1cnf h LEU 226 Cb 0.31 -0.21 0.01 0.00 1.08 0.00 0.00 40.66 41.85 1cnf h LEU 226 CO -0.31 0.76 -0.25 0.03 -1.08 0.00 0.00 178.44 177.59 1cnf h ARG 227 N 0.78 -0.68 -0.98 1.13 2.47 0.24 0.45 114.38 117.79 1cnf h ARG 227 Ca 0.19 0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.91 1cnf h ARG 227 Cb 0.23 0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.68 1cnf h ARG 227 CO -0.01 -0.44 0.06 -1.91 0.56 0.00 0.00 179.97 178.22 1cnf n GLU 228 N -5.39 1.32 0.00 0.04 2.13 0.79 -3.91 120.64 115.62 1cnf n GLU 228 Ca -0.12 -0.43 0.00 0.00 0.66 0.00 0.00 57.16 57.27 1cnf n GLU 228 Cb 0.30 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 30.67 1cnf n GLU 228 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1cnf n HIS 229 N 0.20 0.00 -3.82 4.31 8.25 -0.77 -4.99 115.22 118.40 1cnf n HIS 229 Ca 0.07 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.28 1cnf n HIS 229 Cb 0.56 0.01 -0.17 0.00 1.12 0.00 0.00 29.99 31.50 1cnf n HIS 229 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1cnf s VAL 230 N 0.00 0.65 -0.09 1.59 1.01 0.15 -4.71 120.40 119.00 1cnf s VAL 230 Ca 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 1cnf s VAL 230 Cb 0.00 -0.78 -0.11 0.00 0.00 0.00 0.00 36.38 35.49 1cnf s VAL 230 CO 0.00 0.27 0.67 -2.65 0.00 0.00 0.00 175.10 173.39 1cnf n PRO 231 N 5.06 0.00 -1.72 2.72 -0.02 -1.26 -4.71 135.00 135.06 1cnf n PRO 231 Ca -0.09 0.00 -0.61 0.00 -2.02 0.00 0.00 63.50 60.78 1cnf n PRO 231 Cb 0.50 -0.81 -0.08 0.00 -0.02 0.00 0.00 33.50 33.09 1cnf n PRO 231 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1cnf n GLU 232 N 1.25 0.77 -1.26 -0.52 1.02 -1.26 -4.67 120.64 115.97 1cnf n GLU 232 Ca 0.13 0.28 -0.12 0.00 -0.02 0.00 0.00 57.16 57.43 1cnf n GLU 232 Cb 0.02 -1.91 -0.08 0.00 -0.02 0.00 0.00 31.44 29.46 1cnf n GLU 232 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1cnf n GLY 233 N 4.12 -0.21 0.00 0.62 0.00 0.07 -4.80 105.19 104.99 1cnf n GLY 233 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1cnf n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cnf n GLY 234 N 5.37 4.76 3.76 -0.02 0.00 -1.26 -3.32 105.19 114.48 1cnf n GLY 234 Ca 0.27 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 1cnf n GLY 234 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cnf s ASP 235 N -0.56 7.07 -1.16 1.61 -1.08 -1.26 -2.82 116.67 118.46 1cnf s ASP 235 Ca 0.00 2.41 0.00 0.00 -0.52 0.00 0.00 52.55 54.44 1cnf s ASP 235 Cb 0.00 -2.63 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 1cnf s ASP 235 CO 0.00 -0.32 0.00 0.47 0.52 0.00 0.00 175.17 175.84 1cnf n ASP 236 N 1.33 -4.17 -3.81 -0.34 9.92 -1.26 -4.96 116.55 113.27 1cnf n ASP 236 Ca 0.00 0.04 -0.29 0.00 -0.53 0.00 0.00 54.79 54.02 1cnf n ASP 236 Cb 0.44 -3.27 -0.16 0.00 -0.64 0.00 0.00 41.12 37.48 1cnf n ASP 236 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1cnf s THR 237 N -2.63 0.91 0.02 -3.53 2.01 -1.13 -0.78 115.64 110.51 1cnf s THR 237 Ca 0.00 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.15 1cnf s THR 237 Cb 0.00 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 1cnf s THR 237 CO 0.00 -0.22 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.48 1cnf s LEU 238 N 1.67 3.45 -0.10 4.42 2.96 -0.73 -4.62 118.68 125.72 1cnf s LEU 238 Ca -0.02 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1cnf s LEU 238 Cb -0.18 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 1cnf s LEU 238 CO -0.09 0.25 -0.12 0.00 -1.32 0.00 0.00 176.35 175.07 1cnf s ALA 239 N -1.13 2.69 0.02 5.97 0.00 -0.45 -1.00 121.76 127.85 1cnf s ALA 239 Ca 0.21 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.33 1cnf s ALA 239 Cb -0.11 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 1cnf s ALA 239 CO 0.12 0.36 -0.22 -0.51 0.00 0.00 0.00 175.76 175.50 1cnf s LEU 240 N -0.04 2.11 -0.03 0.00 1.02 -0.08 -2.08 118.68 119.58 1cnf s LEU 240 Ca -0.02 -0.48 -0.16 0.00 0.02 0.00 0.00 54.13 53.48 1cnf s LEU 240 Cb -0.14 -1.10 0.03 0.00 0.02 0.00 0.00 46.19 45.00 1cnf s LEU 240 CO 0.04 0.23 0.35 0.00 0.02 0.00 0.00 176.35 176.98 1cnf s ALA 241 N -0.68 -0.89 -0.34 4.21 0.00 -1.12 -2.47 121.76 120.47 1cnf s ALA 241 Ca 0.09 0.49 0.04 0.00 0.00 0.00 0.00 51.96 52.58 1cnf s ALA 241 Cb -0.09 -0.00 0.16 0.00 0.00 0.00 0.00 23.12 23.19 1cnf s ALA 241 CO 0.01 -0.26 0.45 0.00 0.00 0.00 0.00 175.76 175.95 1cnf s GLY 243 N 2.03 1.10 0.74 0.00 0.00 -1.26 -3.22 107.32 106.72 1cnf s GLY 243 Ca 0.13 -1.27 -0.16 0.00 0.00 0.00 0.00 44.72 43.42 1cnf s GLY 243 CO -0.16 -0.85 0.14 -1.05 0.00 0.00 0.00 173.10 171.18 1cnf n PRO 244 N -0.49 0.14 -0.10 2.90 -0.02 -1.26 -4.64 135.00 131.53 1cnf n PRO 244 Ca -0.01 0.07 -0.06 0.00 -2.02 0.00 0.00 63.50 61.49 1cnf n PRO 244 Cb 0.62 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.60 1cnf n PRO 244 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1cnf h PRO 245 N -0.48 -0.01 -0.05 0.52 0.11 -2.00 -2.49 132.00 127.60 1cnf h PRO 245 Ca -0.44 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.71 1cnf h PRO 245 Cb 1.36 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.42 1cnf h PRO 245 CO 0.38 -0.01 -0.24 -1.00 -0.21 0.00 0.00 178.00 176.93 1cnf h PRO 246 N -0.01 -0.33 -0.86 1.05 0.13 -1.99 0.21 132.00 130.20 1cnf h PRO 246 Ca 0.17 0.02 0.17 0.00 -0.87 0.00 0.00 66.00 65.49 1cnf h PRO 246 Cb 0.27 0.08 -0.16 0.00 0.13 0.00 0.00 31.00 31.32 1cnf h PRO 246 CO -0.38 -0.22 -0.24 1.98 -0.23 0.00 0.00 178.00 178.91 1cnf h MET 247 N -0.35 -0.01 0.16 0.86 1.85 -1.78 -1.90 114.93 113.76 1cnf h MET 247 Ca 0.08 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.16 1cnf h MET 247 Cb 0.46 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.49 1cnf h MET 247 CO -0.25 -0.01 -0.08 0.82 -0.40 0.00 0.00 176.91 176.99 1cnf h ILE 248 N -0.01 0.00 -0.11 1.77 2.04 -1.01 0.78 117.51 120.97 1cnf h ILE 248 Ca 0.39 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 66.21 1cnf h ILE 248 Cb 0.62 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1cnf h ILE 248 CO -0.88 0.00 -0.07 1.67 0.00 0.00 0.00 178.15 178.87 1cnf n GLN 249 N -2.74 -0.05 0.00 2.37 7.27 0.66 -1.34 117.38 123.55 1cnf n GLN 249 Ca -0.03 0.33 0.00 0.00 0.07 0.00 0.00 57.00 57.37 1cnf n GLN 249 Cb 0.08 -0.49 0.00 0.00 2.41 0.00 0.00 30.24 32.25 1cnf n GLN 249 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1cnf n PHE 250 N -3.12 0.00 -0.04 3.69 1.16 -0.94 -4.26 117.46 113.96 1cnf n PHE 250 Ca 0.00 -0.13 -0.00 0.00 -1.87 0.00 0.00 57.45 55.45 1cnf n PHE 250 Cb 0.03 -0.01 -0.10 0.00 -1.61 0.00 0.00 39.48 37.78 1cnf n PHE 250 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1cnf n ALA 251 N -0.13 2.07 -0.01 1.98 0.00 0.11 -4.78 120.51 119.75 1cnf n ALA 251 Ca 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 53.44 52.83 1cnf n ALA 251 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 19.45 19.30 1cnf n ALA 251 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1cnf n ILE 252 N -2.23 0.16 0.10 0.00 5.41 -0.29 -4.62 119.36 117.87 1cnf n ILE 252 Ca -0.12 -0.05 -0.16 0.00 1.00 0.00 0.00 62.75 63.42 1cnf n ILE 252 Cb 0.65 -1.05 -0.10 0.00 -0.71 0.00 0.00 39.64 38.44 1cnf n ILE 252 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1cnf h SER 253 N -0.05 -1.55 -0.64 4.38 0.02 -1.39 -2.92 113.55 111.40 1cnf h SER 253 Ca -0.07 0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1cnf h SER 253 Cb 1.08 0.57 -0.03 0.00 0.14 0.00 0.00 62.40 64.16 1cnf h SER 253 CO -0.03 -0.53 0.42 1.55 -1.14 0.00 0.00 176.83 177.10 1cnf h PRO 254 N -0.71 0.83 -0.41 3.45 0.13 -1.84 -3.18 132.00 130.26 1cnf h PRO 254 Ca -0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1cnf h PRO 254 Cb 0.72 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 1cnf h PRO 254 CO -0.29 0.55 0.26 -0.91 -0.23 0.00 0.00 178.00 177.38 1cnf h ASN 255 N 0.85 0.48 0.00 1.44 4.21 -1.86 -0.66 115.58 120.04 1cnf h ASN 255 Ca 0.24 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.72 1cnf h ASN 255 Cb -0.08 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.00 1cnf h ASN 255 CO -0.06 0.36 0.01 -0.07 -1.29 0.00 0.00 177.43 176.38 1cnf h LEU 256 N 0.55 0.00 0.06 1.61 3.38 -1.49 0.62 115.31 120.04 1cnf h LEU 256 Ca 0.15 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1cnf h LEU 256 Cb -0.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.72 1cnf h LEU 256 CO -0.03 0.00 -0.48 -0.33 0.09 0.00 0.00 178.44 177.69 1cnf h GLU 257 N 0.00 0.13 0.00 1.13 5.08 -1.21 -2.61 114.58 117.10 1cnf h GLU 257 Ca 0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1cnf h GLU 257 Cb 0.01 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1cnf h GLU 257 CO 0.00 1.11 0.00 1.63 -1.00 0.00 0.00 179.01 180.75 1cnf n LYS 258 N -4.36 0.02 -0.27 2.33 5.02 0.21 0.49 118.16 121.60 1cnf n LYS 258 Ca -0.14 0.15 0.08 0.00 -2.02 0.00 0.00 58.31 56.38 1cnf n LYS 258 Cb 0.65 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 34.33 1cnf n LYS 258 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1cnf n MET 259 N -1.15 1.51 -1.61 1.97 2.81 -0.57 -5.00 117.12 115.07 1cnf n MET 259 Ca 0.01 -2.81 -0.18 0.00 -1.81 0.00 0.00 57.70 52.90 1cnf n MET 259 Cb 0.01 -1.57 -0.07 0.00 -0.71 0.00 0.00 33.22 30.87 1cnf n MET 259 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1cnf n LYS 260 N -1.27 -1.44 -2.13 0.03 4.76 0.18 -0.75 118.16 117.54 1cnf n LYS 260 Ca 0.18 1.04 -0.38 0.00 -2.87 0.00 0.00 58.31 56.29 1cnf n LYS 260 Cb 0.69 -5.41 0.00 0.00 -1.84 0.00 0.00 35.03 28.47 1cnf n LYS 260 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1cnf s TYR 261 N -2.56 2.74 -1.07 2.13 2.02 -0.99 -4.70 117.35 114.92 1cnf s TYR 261 Ca 0.00 1.49 -0.23 0.00 -0.37 0.00 0.00 57.07 57.96 1cnf s TYR 261 Cb 0.00 -3.51 -0.01 0.00 -0.40 0.00 0.00 41.96 38.04 1cnf s TYR 261 CO 0.00 -1.89 1.77 0.34 -1.57 0.00 0.00 175.55 174.20 1cnf s ASP 262 N -1.19 5.80 0.00 2.29 2.15 -1.26 -4.73 116.67 119.72 1cnf s ASP 262 Ca 0.65 -1.41 0.00 0.00 0.43 0.00 0.00 52.55 52.21 1cnf s ASP 262 Cb -0.32 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.72 1cnf s ASP 262 CO 0.39 -2.20 0.33 0.80 -0.17 0.00 0.00 175.17 174.33 1cnf n MET 263 N 8.66 0.00 -0.01 4.34 0.00 -1.26 -1.18 117.12 127.68 1cnf n MET 263 Ca 0.41 0.04 0.06 0.00 -0.00 0.00 0.00 57.70 58.21 1cnf n MET 263 Cb 0.48 -1.55 -0.11 0.00 0.00 0.00 0.00 33.22 32.04 1cnf n MET 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1cnf n ALA 264 N -0.83 2.48 -0.42 -5.12 0.00 -1.26 -4.60 120.51 110.76 1cnf n ALA 264 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1cnf n ALA 264 Cb 0.05 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1cnf n ALA 264 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1cnf n ASN 265 N -2.02 0.00 -0.76 0.00 4.13 -0.66 -4.76 115.26 111.19 1cnf n ASN 265 Ca -0.04 -0.41 0.09 0.00 1.68 0.00 0.00 54.58 55.90 1cnf n ASN 265 Cb 0.40 0.00 0.11 0.00 -1.54 0.00 0.00 39.78 38.74 1cnf n ASN 265 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1cnf n SER 266 N 0.00 2.67 -4.13 6.41 7.64 -0.32 -4.85 113.62 121.03 1cnf n SER 266 Ca 0.00 -1.78 -0.36 0.00 1.01 0.00 0.00 58.87 57.74 1cnf n SER 266 Cb 0.10 -0.08 -0.12 0.00 -1.01 0.00 0.00 64.21 63.11 1cnf n SER 266 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1cnf s PHE 267 N -1.36 3.53 0.10 1.43 5.36 -1.26 -1.34 117.98 124.45 1cnf s PHE 267 Ca 0.24 -2.31 0.05 0.00 -0.96 0.00 0.00 56.93 53.95 1cnf s PHE 267 Cb 0.15 -3.03 -0.04 0.00 -0.34 0.00 0.00 43.02 39.77 1cnf s PHE 267 CO 0.22 -0.94 -0.01 0.14 -1.46 0.00 0.00 175.22 173.17 1cnf s VAL 268 N 1.16 3.90 -0.05 3.12 -7.23 -0.88 -4.97 120.40 115.45 1cnf s VAL 268 Ca 0.06 -1.07 -0.02 0.00 -1.81 0.00 0.00 61.98 59.14 1cnf s VAL 268 Cb -0.22 -2.86 0.04 0.00 0.56 0.00 0.00 36.38 33.89 1cnf s VAL 268 CO -0.04 0.09 0.09 -0.69 -0.31 0.00 0.00 175.10 174.25 1cnf s VAL 269 N -1.34 -0.08 -2.26 1.32 1.01 -1.26 -2.81 120.40 114.98 1cnf s VAL 269 Ca 0.25 0.24 0.30 0.00 0.00 0.00 0.00 61.98 62.77 1cnf s VAL 269 Cb -0.11 -0.17 0.73 0.00 0.00 0.00 0.00 36.38 36.82 1cnf s VAL 269 CO 0.18 0.10 1.98 0.49 0.00 0.00 0.00 175.10 177.85