#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1psk s ILE 2 N 0.00 3.74 0.41 5.09 1.01 -1.26 -4.96 121.20 125.23 1psk s ILE 2 Ca 0.00 0.63 -0.24 0.00 0.00 0.00 0.00 60.65 61.04 1psk s ILE 2 Cb 0.00 -4.35 -0.09 0.00 0.01 0.00 0.00 42.46 38.03 1psk s ILE 2 CO 0.00 -1.10 1.09 -0.69 0.00 0.00 0.00 174.94 174.24 1psk s VAL 3 N 6.31 3.54 -0.34 2.92 1.01 -1.26 -4.73 120.40 127.85 1psk s VAL 3 Ca 0.55 1.20 0.01 0.00 0.00 0.00 0.00 61.98 63.74 1psk s VAL 3 Cb -0.12 -3.63 0.10 0.00 0.00 0.00 0.00 36.38 32.74 1psk s VAL 3 CO 0.25 0.03 0.10 -0.76 0.00 0.00 0.00 175.10 174.72 1psk s LEU 4 N -2.65 3.15 -0.17 3.92 1.43 -1.26 -0.66 118.68 122.45 1psk s LEU 4 Ca 0.58 -1.94 -0.19 0.00 -1.03 0.00 0.00 54.13 51.56 1psk s LEU 4 Cb -0.25 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 1psk s LEU 4 CO 0.31 -0.39 0.52 0.42 0.23 0.00 0.00 176.35 177.44 1psk s THR 5 N 1.22 5.13 0.16 5.49 -4.23 -0.58 -3.14 115.64 119.68 1psk s THR 5 Ca 0.11 0.99 -0.04 0.00 -1.18 0.00 0.00 61.69 61.58 1psk s THR 5 Cb -0.19 -3.85 -0.05 0.00 1.34 0.00 0.00 72.50 69.75 1psk s THR 5 CO -0.17 0.23 0.38 -1.10 -0.54 0.00 0.00 174.62 173.42 1psk s GLN 6 N 1.27 3.59 -0.16 3.99 -0.21 -1.26 -1.83 119.66 125.05 1psk s GLN 6 Ca 0.26 -0.16 -0.07 0.00 0.02 0.00 0.00 55.36 55.40 1psk s GLN 6 Cb -0.15 -2.84 0.06 0.00 1.00 0.00 0.00 33.01 31.07 1psk s GLN 6 CO 0.10 0.44 0.36 0.45 -2.12 0.00 0.00 175.29 174.53 1psk s SER 7 N -2.65 -0.32 0.95 5.90 0.15 -1.18 -4.57 113.70 111.97 1psk s SER 7 Ca 0.40 0.79 -0.16 0.00 0.70 0.00 0.00 55.95 57.69 1psk s SER 7 Cb -0.12 0.77 0.19 0.00 -1.71 0.00 0.00 66.02 65.15 1psk s SER 7 CO 0.26 -0.20 1.30 -2.84 1.20 0.00 0.00 173.24 172.97 1psk s PRO 8 N 1.68 0.76 -0.02 5.44 0.02 -1.26 -1.41 135.00 140.21 1psk s PRO 8 Ca -0.07 -0.34 -0.07 0.00 0.02 0.00 0.00 61.00 60.54 1psk s PRO 8 Cb -0.10 -1.85 -0.29 0.00 0.02 0.00 0.00 34.50 32.27 1psk s PRO 8 CO -0.11 -2.34 0.76 0.00 -0.33 0.00 0.00 177.00 174.97 1psk h ALA 9 N -1.59 0.21 -2.70 -1.55 0.00 -1.80 -3.40 119.26 108.43 1psk h ALA 9 Ca -0.45 -1.13 -0.13 0.00 0.00 0.00 0.00 54.91 53.21 1psk h ALA 9 Cb 1.25 0.37 -0.22 0.00 0.00 0.00 0.00 17.79 19.19 1psk h ALA 9 CO 0.41 1.08 -0.31 -1.50 0.00 0.00 0.00 179.25 178.93 1psk s ILE 10 N -2.60 0.04 -0.05 0.00 2.07 -1.26 -0.34 121.20 119.06 1psk s ILE 10 Ca -0.12 -0.30 -0.22 0.00 -1.41 0.00 0.00 60.65 58.59 1psk s ILE 10 Cb 0.06 -0.54 0.05 0.00 0.13 0.00 0.00 42.46 42.16 1psk s ILE 10 CO 0.86 -0.17 0.49 -0.32 -1.91 0.00 0.00 174.94 173.88 1psk s MET 11 N -0.75 0.82 -0.21 3.50 -2.45 0.11 -4.89 119.30 115.43 1psk s MET 11 Ca -0.08 0.11 -0.00 0.00 -1.25 0.00 0.00 55.69 54.47 1psk s MET 11 Cb -0.04 0.38 0.02 0.00 1.25 0.00 0.00 34.83 36.43 1psk s MET 11 CO 0.03 -0.23 -0.14 -1.54 1.05 0.00 0.00 175.02 174.19 1psk s SER 12 N -1.05 3.66 0.02 1.11 1.04 -1.25 0.72 113.70 117.95 1psk s SER 12 Ca -0.11 -0.70 0.07 0.00 0.48 0.00 0.00 55.95 55.70 1psk s SER 12 Cb -0.03 -1.57 -0.02 0.00 0.10 0.00 0.00 66.02 64.50 1psk s SER 12 CO 0.06 -0.04 -0.22 0.00 0.98 0.00 0.00 173.24 174.02 1psk s ALA 13 N 1.32 1.83 0.53 5.32 0.00 0.20 -4.71 121.76 126.24 1psk s ALA 13 Ca 0.03 -1.03 -0.15 0.00 0.00 0.00 0.00 51.96 50.80 1psk s ALA 13 Cb -0.14 -0.40 -0.07 0.00 0.00 0.00 0.00 23.12 22.50 1psk s ALA 13 CO -0.09 0.43 0.98 -1.12 0.00 0.00 0.00 175.76 175.96 1psk s SER 14 N -0.93 6.56 0.70 0.00 0.01 -1.26 -0.77 113.70 118.02 1psk s SER 14 Ca 0.08 1.53 -0.16 0.00 1.31 0.00 0.00 55.95 58.71 1psk s SER 14 Cb -0.09 -2.49 0.02 0.00 0.21 0.00 0.00 66.02 63.67 1psk s SER 14 CO 0.01 -0.62 1.26 -2.65 0.41 0.00 0.00 173.24 171.65 1psk n PRO 15 N -1.74 0.81 -1.00 12.44 -0.02 -1.26 -2.35 135.00 141.88 1psk n PRO 15 Ca 0.06 0.34 -0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1psk n PRO 15 Cb 0.54 -2.50 -0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1psk n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1psk n GLY 16 N 0.81 0.41 3.95 -1.23 0.00 0.11 -4.84 105.19 104.40 1psk n GLY 16 Ca 0.15 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 1psk n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1psk s GLU 17 N -0.35 3.41 -0.32 1.61 2.12 -0.99 -4.55 118.70 119.64 1psk s GLU 17 Ca 0.00 -0.40 -0.12 0.00 0.36 0.00 0.00 54.97 54.81 1psk s GLU 17 Cb 0.00 -2.66 -0.02 0.00 0.26 0.00 0.00 34.13 31.70 1psk s GLU 17 CO 0.00 0.10 0.21 0.21 -0.54 0.00 0.00 175.26 175.25 1psk s LYS 18 N -4.33 3.59 -0.04 4.30 2.20 -1.25 0.13 119.74 124.35 1psk s LYS 18 Ca 0.41 -0.57 0.02 0.00 -0.36 0.00 0.00 55.97 55.47 1psk s LYS 18 Cb -0.10 -3.73 -0.03 0.00 -1.51 0.00 0.00 37.83 32.46 1psk s LYS 18 CO 0.36 -0.37 -0.08 0.08 -0.36 0.00 0.00 175.35 174.98 1psk s VAL 19 N 1.72 3.61 -0.23 4.02 1.01 -0.08 -4.96 120.40 125.49 1psk s VAL 19 Ca 0.06 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 1psk s VAL 19 Cb -0.17 -2.50 0.08 0.00 0.00 0.00 0.00 36.38 33.79 1psk s VAL 19 CO 0.10 0.52 0.09 -0.89 0.00 0.00 0.00 175.10 174.92 1psk s THR 20 N -0.87 0.23 -0.15 3.92 2.01 -1.26 0.52 115.64 120.04 1psk s THR 20 Ca 0.14 -0.61 -0.05 0.00 0.31 0.00 0.00 61.69 61.48 1psk s THR 20 Cb -0.11 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 1psk s THR 20 CO 0.04 -0.44 0.04 0.27 -0.69 0.00 0.00 174.62 173.84 1psk s ILE 21 N 1.97 4.59 0.50 1.82 -4.36 0.32 -4.86 121.20 121.18 1psk s ILE 21 Ca 0.04 -0.12 0.08 0.00 -0.26 0.00 0.00 60.65 60.40 1psk s ILE 21 Cb -0.16 -3.02 0.04 0.00 1.25 0.00 0.00 42.46 40.57 1psk s ILE 21 CO -0.18 0.51 0.63 0.42 0.24 0.00 0.00 174.94 176.56 1psk s THR 22 N -0.04 2.48 -0.24 8.37 -4.23 -0.50 -0.64 115.64 120.84 1psk s THR 22 Ca 0.05 -1.08 -0.03 0.00 -1.18 0.00 0.00 61.69 59.45 1psk s THR 22 Cb -0.12 -2.56 0.13 0.00 1.34 0.00 0.00 72.50 71.29 1psk s THR 22 CO 0.01 0.00 0.41 0.00 -0.54 0.00 0.00 174.62 174.50 1psk s SER 24 N 2.59 5.68 -0.08 0.00 0.01 -0.76 -0.89 113.70 120.24 1psk s SER 24 Ca 0.12 0.05 -0.12 0.00 1.31 0.00 0.00 55.95 57.31 1psk s SER 24 Cb -0.15 -1.99 -0.05 0.00 0.21 0.00 0.00 66.02 64.04 1psk s SER 24 CO -0.16 0.12 0.28 0.00 0.41 0.00 0.00 173.24 173.89 1psk s ALA 25 N 0.69 3.74 0.43 1.44 0.00 0.42 -1.53 121.76 126.94 1psk s ALA 25 Ca 0.04 -0.43 0.14 0.00 0.00 0.00 0.00 51.96 51.71 1psk s ALA 25 Cb -0.13 -2.24 0.93 0.00 0.00 0.00 0.00 23.12 21.68 1psk s ALA 25 CO 0.02 0.43 1.95 0.66 0.00 0.00 0.00 175.76 178.82 1psk h SER 26 N 5.31 0.01 -4.20 0.00 4.64 -1.20 -3.43 113.55 114.68 1psk h SER 26 Ca -0.50 -0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.47 1psk h SER 26 Cb 1.21 -0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.12 1psk h SER 26 CO 0.64 0.24 -0.74 -0.44 -0.87 0.00 0.00 176.83 175.66 1psk s SER 27 N -6.98 1.68 0.44 4.97 0.01 -1.26 -4.97 113.70 107.59 1psk s SER 27 Ca -0.04 -0.85 -0.25 0.00 1.31 0.00 0.00 55.95 56.12 1psk s SER 27 Cb 0.15 -0.02 -0.08 0.00 0.21 0.00 0.00 66.02 66.29 1psk s SER 27 CO 0.71 -0.24 1.36 -0.55 0.41 0.00 0.00 173.24 174.92 1psk s SER 28 N -2.60 6.00 0.31 2.44 0.15 -1.26 -4.85 113.70 113.88 1psk s SER 28 Ca 0.09 2.78 0.05 0.00 0.70 0.00 0.00 55.95 59.56 1psk s SER 28 Cb -0.02 -2.64 -0.06 0.00 -1.71 0.00 0.00 66.02 61.58 1psk s SER 28 CO 0.01 -1.08 0.02 0.68 1.20 0.00 0.00 173.24 174.07 1psk s VAL 29 N -1.25 1.32 -0.19 4.45 -7.23 -0.66 -5.01 120.40 111.84 1psk s VAL 29 Ca 0.60 -2.03 -0.17 0.00 -1.81 0.00 0.00 61.98 58.57 1psk s VAL 29 Cb -0.41 -2.67 -0.14 0.00 0.56 0.00 0.00 36.38 33.73 1psk s VAL 29 CO 0.52 -0.11 0.08 0.28 -0.31 0.00 0.00 175.10 175.56 1psk h SER 30 N 2.18 0.00 -2.52 4.85 0.02 -1.92 -3.37 113.55 112.80 1psk h SER 30 Ca -0.40 -0.34 -0.56 0.00 -0.84 0.00 0.00 61.79 59.65 1psk h SER 30 Cb 1.24 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.65 1psk h SER 30 CO 0.69 1.25 -0.56 0.20 -1.14 0.00 0.00 176.83 177.27 1psk s ASN 31 N -6.49 3.00 0.02 3.07 -0.87 -1.26 -4.77 114.94 107.64 1psk s ASN 31 Ca -0.24 -1.54 0.00 0.00 -1.57 0.00 0.00 52.86 49.52 1psk s ASN 31 Cb 0.05 0.21 -0.02 0.00 -0.02 0.00 0.00 41.25 41.47 1psk s ASN 31 CO 0.47 -0.75 -0.03 -0.51 -2.57 0.00 0.00 177.10 173.70 1psk s ILE 32 N -3.13 0.17 0.11 0.60 1.10 -1.26 -4.68 121.20 114.11 1psk s ILE 32 Ca 0.26 -0.81 0.09 0.00 -0.51 0.00 0.00 60.65 59.67 1psk s ILE 32 Cb 0.05 -0.29 -0.04 0.00 0.15 0.00 0.00 42.46 42.34 1psk s ILE 32 CO 0.13 -0.41 -0.21 -1.00 -2.11 0.00 0.00 174.94 171.34 1psk s HIS 33 N -1.24 1.84 -0.03 3.50 3.76 0.62 -0.59 115.29 123.15 1psk s HIS 33 Ca -0.13 -0.42 0.06 0.00 -0.15 0.00 0.00 55.06 54.42 1psk s HIS 33 Cb -0.09 -0.99 -0.01 0.00 1.11 0.00 0.00 32.58 32.60 1psk s HIS 33 CO -0.01 0.24 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.33 1psk s TRP 34 N -1.28 1.96 0.13 1.40 0.52 0.10 0.64 118.94 122.42 1psk s TRP 34 Ca 0.08 -0.44 0.10 0.00 0.02 0.00 0.00 56.10 55.86 1psk s TRP 34 Cb -0.09 -1.28 -0.04 0.00 -1.15 0.00 0.00 33.47 30.91 1psk s TRP 34 CO 0.05 -0.09 -0.25 -0.06 0.02 0.00 0.00 176.95 176.62 1psk s PHE 35 N -0.34 2.18 -0.16 -1.98 0.40 0.14 -0.11 117.98 118.10 1psk s PHE 35 Ca 0.04 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 55.99 1psk s PHE 35 Cb -0.10 -1.17 0.02 0.00 0.51 0.00 0.00 43.02 42.29 1psk s PHE 35 CO 0.00 0.33 -0.17 -1.14 0.70 0.00 0.00 175.22 174.94 1psk s GLN 36 N -2.11 2.58 -0.09 0.44 0.74 0.91 -0.94 119.66 121.19 1psk s GLN 36 Ca 0.13 -0.67 0.02 0.00 0.05 0.00 0.00 55.36 54.89 1psk s GLN 36 Cb -0.10 -2.28 0.01 0.00 1.10 0.00 0.00 33.01 31.75 1psk s GLN 36 CO 0.06 -0.21 -0.14 -1.14 -0.55 0.00 0.00 175.29 173.31 1psk s GLN 37 N 1.36 2.07 0.05 1.67 0.74 -0.60 0.30 119.66 125.24 1psk s GLN 37 Ca 0.04 -0.52 -0.01 0.00 0.05 0.00 0.00 55.36 54.92 1psk s GLN 37 Cb -0.13 -1.75 -0.04 0.00 1.10 0.00 0.00 33.01 32.19 1psk s GLN 37 CO -0.11 -0.03 0.21 0.15 -0.55 0.00 0.00 175.29 174.96 1psk s LYS 38 N 0.89 3.45 -0.28 1.67 1.02 -1.26 -2.39 119.74 122.85 1psk s LYS 38 Ca -0.09 -0.40 -0.39 0.00 0.02 0.00 0.00 55.97 55.11 1psk s LYS 38 Cb -0.15 -3.05 -0.15 0.00 -0.52 0.00 0.00 37.83 33.96 1psk s LYS 38 CO 0.00 0.62 1.80 -0.35 -0.92 0.00 0.00 175.35 176.50 1psk n PRO 39 N 0.43 1.22 -0.41 -1.68 -0.04 -1.26 -0.97 135.00 132.29 1psk n PRO 39 Ca -0.06 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1psk n PRO 39 Cb 0.51 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 1psk n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1psk n GLY 40 N 4.46 0.71 3.55 0.55 0.00 -1.26 -5.06 105.19 108.14 1psk n GLY 40 Ca 0.28 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 1psk n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1psk s THR 41 N -2.80 1.93 0.75 2.61 2.01 -0.15 -5.15 115.64 114.85 1psk s THR 41 Ca 0.00 -2.08 -0.10 0.00 0.31 0.00 0.00 61.69 59.82 1psk s THR 41 Cb 0.00 -2.81 0.06 0.00 0.01 0.00 0.00 72.50 69.76 1psk s THR 41 CO 0.00 -0.09 1.11 0.72 -0.69 0.00 0.00 174.62 175.67 1psk s PHE 42 N -2.79 3.05 0.73 4.92 -0.12 -1.26 -4.58 117.98 117.93 1psk s PHE 42 Ca 0.34 0.76 -0.11 0.00 -0.05 0.00 0.00 56.93 57.87 1psk s PHE 42 Cb 0.07 -3.29 0.03 0.00 -0.63 0.00 0.00 43.02 39.20 1psk s PHE 42 CO 0.17 -1.50 1.07 -2.14 -0.05 0.00 0.00 175.22 172.77 1psk s PRO 43 N -5.42 2.64 -0.09 1.99 0.02 -1.26 -4.46 135.00 128.42 1psk s PRO 43 Ca 0.60 1.04 0.02 0.00 0.02 0.00 0.00 61.00 62.68 1psk s PRO 43 Cb -0.11 -1.95 0.01 0.00 0.02 0.00 0.00 34.50 32.48 1psk s PRO 43 CO 0.49 -1.33 -0.13 0.15 -0.33 0.00 0.00 177.00 175.84 1psk s LYS 44 N -4.99 1.91 0.02 5.54 1.02 0.15 -4.92 119.74 118.48 1psk s LYS 44 Ca 0.59 -0.47 -0.30 0.00 0.02 0.00 0.00 55.97 55.82 1psk s LYS 44 Cb -0.15 -1.63 -0.08 0.00 -0.52 0.00 0.00 37.83 35.45 1psk s LYS 44 CO 0.55 -0.03 1.90 -1.17 -0.92 0.00 0.00 175.35 175.68 1psk s LEU 45 N 0.87 4.41 -0.15 3.17 2.96 -1.26 -0.06 118.68 128.62 1psk s LEU 45 Ca -0.10 2.59 -0.13 0.00 -0.22 0.00 0.00 54.13 56.27 1psk s LEU 45 Cb -0.15 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1psk s LEU 45 CO 0.01 -1.02 -0.25 1.87 -1.32 0.00 0.00 176.35 175.63 1psk n TRP 46 N 7.36 0.34 -4.07 5.38 -0.00 0.84 -4.74 117.44 122.55 1psk n TRP 46 Ca 0.19 0.15 -0.21 0.00 -0.00 0.00 0.00 57.50 57.63 1psk n TRP 46 Cb 0.41 -0.56 -0.17 0.00 -0.00 0.00 0.00 31.31 31.00 1psk n TRP 46 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1psk s ILE 47 N -2.48 0.51 0.33 5.87 1.01 -1.04 -2.16 121.20 123.23 1psk s ILE 47 Ca -0.21 -0.08 0.09 0.00 0.00 0.00 0.00 60.65 60.46 1psk s ILE 47 Cb 0.03 -0.56 -0.05 0.00 0.01 0.00 0.00 42.46 41.89 1psk s ILE 47 CO 0.31 0.23 0.02 -0.72 0.00 0.00 0.00 174.94 174.79 1psk s TYR 48 N 1.13 2.58 -1.30 3.97 1.13 -0.14 0.02 117.35 124.74 1psk s TYR 48 Ca -0.08 -0.39 -0.04 0.00 -1.41 0.00 0.00 57.07 55.15 1psk s TYR 48 Cb -0.14 -1.45 0.02 0.00 -1.10 0.00 0.00 41.96 39.30 1psk s TYR 48 CO -0.01 0.49 0.28 0.43 -2.51 0.00 0.00 175.55 174.23 1psk n SER 49 N -0.96 -4.50 0.00 -0.18 7.64 -1.14 -1.69 113.62 112.78 1psk n SER 49 Ca -0.04 -0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1psk n SER 49 Cb 0.62 -3.74 0.00 0.00 -1.01 0.00 0.00 64.21 60.08 1psk n SER 49 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1psk n THR 50 N -3.86 0.00 -0.04 0.44 -1.04 0.24 -4.24 114.28 105.78 1psk n THR 50 Ca -0.11 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.87 1psk n THR 50 Cb 0.60 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 69.02 1psk n THR 50 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1psk n SER 51 N 2.45 2.29 -4.71 8.00 7.64 -1.21 -3.70 113.62 124.39 1psk n SER 51 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1psk n SER 51 Cb 0.00 0.92 -0.03 0.00 -1.01 0.00 0.00 64.21 64.09 1psk n SER 51 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1psk s THR 52 N -2.37 3.24 0.04 0.44 2.01 -0.68 -4.46 115.64 113.85 1psk s THR 52 Ca -0.05 0.84 -0.20 0.00 0.31 0.00 0.00 61.69 62.59 1psk s THR 52 Cb 0.04 -3.54 -0.06 0.00 0.01 0.00 0.00 72.50 68.95 1psk s THR 52 CO 0.46 0.05 0.57 -0.76 -0.69 0.00 0.00 174.62 174.25 1psk s LEU 53 N 1.50 4.48 0.00 4.42 1.02 -1.26 -0.97 118.68 127.87 1psk s LEU 53 Ca 0.66 1.20 -0.17 0.00 0.02 0.00 0.00 54.13 55.85 1psk s LEU 53 Cb -0.37 -2.89 0.23 0.00 0.02 0.00 0.00 46.19 43.18 1psk s LEU 53 CO 0.30 0.20 1.16 0.00 0.02 0.00 0.00 176.35 178.03 1psk n ALA 54 N 2.17 -1.97 -1.92 4.21 0.00 -0.92 -4.92 120.51 117.17 1psk n ALA 54 Ca -0.09 -1.57 -0.41 0.00 0.00 0.00 0.00 53.44 51.37 1psk n ALA 54 Cb 0.51 -0.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 1psk n ALA 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1psk s SER 55 N -5.11 7.25 0.00 0.00 0.15 -1.26 -3.36 113.70 111.37 1psk s SER 55 Ca 0.68 2.19 0.00 0.00 0.70 0.00 0.00 55.95 59.53 1psk s SER 55 Cb -0.03 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1psk s SER 55 CO 0.49 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.34 1psk n GLY 56 N 1.67 3.05 3.72 9.45 0.00 -1.26 -5.04 105.19 116.78 1psk n GLY 56 Ca 0.01 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 1psk n GLY 56 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1psk n VAL 57 N 0.00 1.29 -2.65 1.61 0.31 -1.21 -4.97 118.33 112.71 1psk n VAL 57 Ca 0.00 -0.32 -0.33 0.00 -0.01 0.00 0.00 64.34 63.68 1psk n VAL 57 Cb 0.00 -1.76 -0.05 0.00 -0.91 0.00 0.00 33.84 31.12 1psk n VAL 57 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1psk s PRO 58 N -0.91 4.02 0.00 5.55 0.02 -1.26 -4.93 135.00 137.49 1psk s PRO 58 Ca 0.62 1.17 0.08 0.00 0.02 0.00 0.00 61.00 62.90 1psk s PRO 58 Cb -0.55 -2.14 0.47 0.00 0.02 0.00 0.00 34.50 32.30 1psk s PRO 58 CO 0.53 -0.22 1.03 0.41 -0.33 0.00 0.00 177.00 178.43 1psk n GLY 59 N -0.68 -0.39 0.04 0.52 0.00 -1.26 -1.73 105.19 101.70 1psk n GLY 59 Ca 0.08 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.18 1psk n GLY 59 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1psk n ARG 60 N -1.12 0.11 -3.49 1.61 1.85 -1.26 -4.74 116.66 109.62 1psk n ARG 60 Ca 0.05 0.08 -0.38 0.00 -1.00 0.00 0.00 57.85 56.61 1psk n ARG 60 Cb 0.04 -1.62 -0.06 0.00 -1.05 0.00 0.00 32.46 29.77 1psk n ARG 60 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1psk s PHE 61 N -3.04 3.68 -0.11 2.89 0.08 -0.71 -1.24 117.98 119.53 1psk s PHE 61 Ca 0.12 0.93 -0.14 0.00 0.12 0.00 0.00 56.93 57.97 1psk s PHE 61 Cb 0.16 -2.31 0.03 0.00 -0.57 0.00 0.00 43.02 40.33 1psk s PHE 61 CO 0.57 0.56 0.37 -1.54 -0.10 0.00 0.00 175.22 175.07 1psk s SER 62 N -0.74 -0.35 -0.06 1.36 1.04 -0.86 -4.99 113.70 109.11 1psk s SER 62 Ca 0.23 0.60 0.03 0.00 0.48 0.00 0.00 55.95 57.29 1psk s SER 62 Cb -0.16 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 1psk s SER 62 CO 0.12 -0.21 -0.12 -0.83 0.98 0.00 0.00 173.24 173.17 1psk s GLY 63 N -0.18 1.58 0.34 7.32 0.00 -1.24 -1.67 107.32 113.46 1psk s GLY 63 Ca -0.03 -0.95 -0.02 0.00 0.00 0.00 0.00 44.72 43.72 1psk s GLY 63 CO 0.02 -0.72 0.46 -0.45 0.00 0.00 0.00 173.10 172.40 1psk s SER 64 N -0.72 0.98 0.00 1.64 0.15 -0.28 -4.22 113.70 111.24 1psk s SER 64 Ca 0.11 -1.51 0.00 0.00 0.70 0.00 0.00 55.95 55.25 1psk s SER 64 Cb -0.11 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1psk s SER 64 CO 0.01 -1.28 0.00 0.61 1.20 0.00 0.00 173.24 173.78 1psk n GLY 65 N -0.57 2.98 3.54 9.45 0.00 -1.26 -0.58 105.19 118.75 1psk n GLY 65 Ca 0.01 -2.03 -0.14 0.00 0.00 0.00 0.00 46.02 43.86 1psk n GLY 65 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1psk s SER 66 N 0.00 -0.66 0.00 1.61 0.15 -0.03 -4.88 113.70 109.89 1psk s SER 66 Ca 0.00 1.18 0.00 0.00 0.70 0.00 0.00 55.95 57.83 1psk s SER 66 Cb 0.00 1.18 0.00 0.00 -1.71 0.00 0.00 66.02 65.49 1psk s SER 66 CO 0.00 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1psk n GLY 67 N 2.42 0.56 0.08 9.45 0.00 -1.26 -2.69 105.19 113.74 1psk n GLY 67 Ca -0.15 0.65 -0.08 0.00 0.00 0.00 0.00 46.02 46.44 1psk n GLY 67 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1psk n THR 68 N 0.00 1.04 -4.97 2.61 5.66 -1.26 -1.65 114.28 115.71 1psk n THR 68 Ca 0.00 -0.62 -0.32 0.00 -3.05 0.00 0.00 64.05 60.06 1psk n THR 68 Cb 0.00 -0.64 -0.17 0.00 -1.55 0.00 0.00 70.33 67.97 1psk n THR 68 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1psk s SER 69 N -4.93 3.00 0.30 1.09 1.04 -1.10 -0.44 113.70 112.67 1psk s SER 69 Ca -0.09 -0.56 0.06 0.00 0.48 0.00 0.00 55.95 55.84 1psk s SER 69 Cb 0.05 -1.38 -0.06 0.00 0.10 0.00 0.00 66.02 64.73 1psk s SER 69 CO 0.60 0.12 -0.01 -0.31 0.98 0.00 0.00 173.24 174.62 1psk s TYR 70 N 0.55 1.98 -0.05 5.02 1.51 -0.07 -0.85 117.35 125.44 1psk s TYR 70 Ca -0.14 -0.79 -0.27 0.00 -1.01 0.00 0.00 57.07 54.86 1psk s TYR 70 Cb -0.17 -1.21 0.06 0.00 -0.11 0.00 0.00 41.96 40.53 1psk s TYR 70 CO 0.05 0.19 0.59 -1.54 -1.11 0.00 0.00 175.55 173.72 1psk s SER 71 N -3.47 -0.55 0.03 2.29 1.04 0.25 -0.07 113.70 113.22 1psk s SER 71 Ca 0.32 0.59 0.04 0.00 0.48 0.00 0.00 55.95 57.38 1psk s SER 71 Cb 0.06 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 1psk s SER 71 CO 0.13 -0.55 -0.05 -0.22 0.98 0.00 0.00 173.24 173.53 1psk s LEU 72 N -1.16 3.26 -0.07 2.42 0.20 0.19 -1.13 118.68 122.40 1psk s LEU 72 Ca -0.11 -0.16 -0.03 0.00 0.69 0.00 0.00 54.13 54.52 1psk s LEU 72 Cb -0.01 -1.92 0.04 0.00 -0.43 0.00 0.00 46.19 43.86 1psk s LEU 72 CO 0.08 0.25 0.14 -0.89 -0.29 0.00 0.00 176.35 175.64 1psk s THR 73 N -1.10 -0.07 -0.25 3.68 2.01 -0.67 -0.52 115.64 118.72 1psk s THR 73 Ca 0.20 0.20 -0.07 0.00 0.31 0.00 0.00 61.69 62.33 1psk s THR 73 Cb -0.11 -0.24 -0.02 0.00 0.01 0.00 0.00 72.50 72.14 1psk s THR 73 CO 0.11 0.08 0.05 -0.63 -0.69 0.00 0.00 174.62 173.55 1psk s ILE 74 N 1.30 4.13 0.25 1.82 1.01 0.19 -2.02 121.20 127.87 1psk s ILE 74 Ca -0.08 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.26 1psk s ILE 74 Cb -0.12 -2.94 0.17 0.00 0.01 0.00 0.00 42.46 39.58 1psk s ILE 74 CO -0.06 0.33 1.82 0.77 0.00 0.00 0.00 174.94 177.80 1psk h SER 75 N 8.22 0.97 -2.50 3.58 4.64 -1.44 -0.19 113.55 126.82 1psk h SER 75 Ca -0.38 -0.14 -0.27 0.00 -0.47 0.00 0.00 61.79 60.53 1psk h SER 75 Cb 1.17 -0.25 -0.34 0.00 -0.31 0.00 0.00 62.40 62.67 1psk h SER 75 CO 0.58 0.87 -0.58 -0.13 -0.87 0.00 0.00 176.83 176.70 1psk s ARG 76 N -5.47 0.20 0.29 4.77 0.52 -1.20 -3.75 118.95 114.32 1psk s ARG 76 Ca -0.11 0.39 -0.30 0.00 -0.52 0.00 0.00 55.73 55.19 1psk s ARG 76 Cb 0.16 -0.80 -0.13 0.00 0.52 0.00 0.00 34.95 34.70 1psk s ARG 76 CO 0.82 -0.56 1.40 -0.12 0.02 0.00 0.00 175.30 176.86 1psk n MET 77 N 5.33 2.19 -4.46 3.54 1.56 0.36 -4.63 117.12 121.02 1psk n MET 77 Ca -0.05 0.78 -0.25 0.00 -0.27 0.00 0.00 57.70 57.91 1psk n MET 77 Cb 0.50 -2.43 -0.10 0.00 2.15 0.00 0.00 33.22 33.34 1psk n MET 77 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1psk s GLY 78 N 0.10 1.99 0.14 -5.12 0.00 -1.26 0.04 107.32 103.21 1psk s GLY 78 Ca 0.63 -1.94 -0.18 0.00 0.00 0.00 0.00 44.72 43.23 1psk s GLY 78 CO 0.54 -1.96 1.78 0.00 0.00 0.00 0.00 173.10 173.47 1psk h ALA 79 N 2.09 0.35 -0.82 3.20 0.00 -1.97 -2.31 119.26 119.80 1psk h ALA 79 Ca -0.41 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.63 1psk h ALA 79 Cb 1.25 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 1psk h ALA 79 CO 0.64 -0.20 0.54 0.93 0.00 0.00 0.00 179.25 181.16 1psk h GLU 80 N 0.35 0.55 0.00 0.00 3.07 -1.95 -2.80 114.58 113.80 1psk h GLU 80 Ca 0.11 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1psk h GLU 80 Cb -0.01 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 27.77 1psk h GLU 80 CO -0.04 0.36 0.00 -0.25 -1.40 0.00 0.00 179.01 177.68 1psk n ASP 81 N -4.52 0.00 -4.72 1.42 8.00 -0.87 -4.75 116.55 111.11 1psk n ASP 81 Ca 0.16 0.48 -0.42 0.00 0.71 0.00 0.00 54.79 55.72 1psk n ASP 81 Cb 0.49 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1psk n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1psk s ALA 82 N -2.97 3.58 0.00 2.24 0.00 -1.06 -4.90 121.76 118.65 1psk s ALA 82 Ca 0.04 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1psk s ALA 82 Cb 0.05 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1psk s ALA 82 CO 0.15 -0.61 0.00 0.00 0.00 0.00 0.00 175.76 175.30 1psk n ALA 83 N 3.74 0.00 -3.13 0.00 0.00 -1.15 -4.94 120.51 115.04 1psk n ALA 83 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.21 1psk n ALA 83 Cb 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.73 1psk n ALA 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1psk s THR 84 N -2.88 3.19 -0.29 0.00 2.01 -1.00 0.44 115.64 117.11 1psk s THR 84 Ca 0.00 -0.60 -0.05 0.00 0.31 0.00 0.00 61.69 61.35 1psk s THR 84 Cb 0.00 -2.36 0.02 0.00 0.01 0.00 0.00 72.50 70.16 1psk s THR 84 CO 0.00 0.51 0.04 -0.31 -0.69 0.00 0.00 174.62 174.17 1psk s TYR 85 N 0.51 3.14 -0.06 4.92 1.51 -0.46 -1.56 117.35 125.36 1psk s TYR 85 Ca -0.08 -1.21 -0.10 0.00 -1.01 0.00 0.00 57.07 54.68 1psk s TYR 85 Cb -0.15 -2.20 -0.05 0.00 -0.11 0.00 0.00 41.96 39.45 1psk s TYR 85 CO 0.04 -0.64 0.26 0.71 -1.11 0.00 0.00 175.55 174.81 1psk s TYR 86 N 1.43 3.65 -0.12 2.71 2.02 -0.11 -3.01 117.35 123.92 1psk s TYR 86 Ca 0.01 0.71 -0.06 0.00 -0.37 0.00 0.00 57.07 57.36 1psk s TYR 86 Cb -0.17 -2.08 -0.04 0.00 -0.40 0.00 0.00 41.96 39.27 1psk s TYR 86 CO 0.01 0.69 0.12 0.00 -1.57 0.00 0.00 175.55 174.79 1psk s GLN 88 N -0.91 0.97 -0.08 0.00 0.74 0.21 0.75 119.66 121.34 1psk s GLN 88 Ca 0.14 -0.58 0.05 0.00 0.05 0.00 0.00 55.36 55.01 1psk s GLN 88 Cb -0.12 -0.95 -0.00 0.00 1.10 0.00 0.00 33.01 33.04 1psk s GLN 88 CO 0.03 0.25 -0.23 1.14 -0.55 0.00 0.00 175.29 175.93 1psk s GLN 89 N -0.67 2.73 0.00 1.67 1.03 -0.82 -0.27 119.66 123.32 1psk s GLN 89 Ca 0.03 -0.84 0.04 0.00 0.04 0.00 0.00 55.36 54.62 1psk s GLN 89 Cb -0.06 -2.16 0.04 0.00 0.03 0.00 0.00 33.01 30.87 1psk s GLN 89 CO 0.00 0.24 0.72 0.54 -2.54 0.00 0.00 175.29 174.25 1psk n ARG 90 N 3.33 0.29 0.00 9.60 1.74 -1.26 -3.23 116.66 127.13 1psk n ARG 90 Ca -0.19 -0.94 0.07 0.00 -0.77 0.00 0.00 57.85 56.02 1psk n ARG 90 Cb 0.53 -1.07 0.33 0.00 -1.02 0.00 0.00 32.46 31.22 1psk n ARG 90 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1psk n SER 91 N 0.12 0.00 -3.96 0.55 7.64 -1.26 -4.78 113.62 111.92 1psk n SER 91 Ca 0.02 0.20 -0.10 0.00 1.01 0.00 0.00 58.87 60.01 1psk n SER 91 Cb 0.14 -0.34 -0.06 0.00 -1.01 0.00 0.00 64.21 62.93 1psk n SER 91 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1psk s GLY 92 N -2.69 0.50 -0.09 0.23 0.00 -1.26 -4.93 107.32 99.08 1psk s GLY 92 Ca 0.11 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.98 1psk s GLY 92 CO 0.22 -0.75 -0.10 -0.19 0.00 0.00 0.00 173.10 172.27 1psk s TYR 93 N -3.98 2.84 0.86 1.90 1.51 -1.26 -3.67 117.35 115.55 1psk s TYR 93 Ca 0.19 -0.22 -0.11 0.00 -1.01 0.00 0.00 57.07 55.92 1psk s TYR 93 Cb 0.02 -1.74 0.16 0.00 -0.11 0.00 0.00 41.96 40.28 1psk s TYR 93 CO 0.03 0.12 1.20 -1.25 -1.11 0.00 0.00 175.55 174.54 1psk s PRO 94 N -0.39 1.18 0.26 -1.71 0.04 -1.26 -4.74 135.00 128.37 1psk s PRO 94 Ca 0.05 -0.49 -0.30 0.00 0.04 0.00 0.00 61.00 60.30 1psk s PRO 94 Cb -0.12 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 1psk s PRO 94 CO 0.02 -1.99 1.03 -0.06 0.04 0.00 0.00 177.00 176.04 1psk s PHE 95 N -3.62 3.77 0.20 0.56 0.08 -1.24 -4.74 117.98 112.99 1psk s PHE 95 Ca 0.70 1.80 0.06 0.00 0.12 0.00 0.00 56.93 59.60 1psk s PHE 95 Cb -0.06 -3.14 -0.05 0.00 -0.57 0.00 0.00 43.02 39.20 1psk s PHE 95 CO 0.50 -0.09 -0.09 0.95 -0.10 0.00 0.00 175.22 176.39 1psk s THR 96 N -1.13 1.39 0.33 0.64 -4.23 -1.20 -5.03 115.64 106.41 1psk s THR 96 Ca 0.43 -2.11 0.08 0.00 -1.18 0.00 0.00 61.69 58.90 1psk s THR 96 Cb -0.29 -2.10 -0.06 0.00 1.34 0.00 0.00 72.50 71.38 1psk s THR 96 CO 0.37 -0.55 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.49 1psk s PHE 97 N -3.19 2.22 0.66 3.99 0.40 -1.26 -1.95 117.98 118.85 1psk s PHE 97 Ca 0.23 -0.63 -0.06 0.00 -0.60 0.00 0.00 56.93 55.87 1psk s PHE 97 Cb 0.02 -1.33 0.04 0.00 0.51 0.00 0.00 43.02 42.26 1psk s PHE 97 CO 0.06 0.41 0.97 0.20 0.70 0.00 0.00 175.22 177.56 1psk s GLY 98 N -3.55 1.66 0.32 4.36 0.00 0.23 -4.24 107.32 106.10 1psk s GLY 98 Ca 0.32 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 44.20 1psk s GLY 98 CO 0.15 -0.49 1.94 1.76 0.00 0.00 0.00 173.10 176.46 1psk h SER 99 N -0.44 0.76 -5.00 1.64 0.02 -1.88 -3.43 113.55 105.21 1psk h SER 99 Ca -0.45 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1psk h SER 99 Cb 1.29 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1psk h SER 99 CO 0.60 0.62 0.00 0.61 -1.14 0.00 0.00 176.83 177.53 1psk n GLY 100 N -1.22 2.93 2.84 -3.77 0.00 -1.26 -5.02 105.19 99.68 1psk n GLY 100 Ca 0.06 -1.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.03 1psk n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1psk s THR 101 N -2.15 0.88 -0.17 2.61 2.01 -1.16 -4.52 115.64 113.13 1psk s THR 101 Ca 0.00 -0.50 -0.19 0.00 0.31 0.00 0.00 61.69 61.31 1psk s THR 101 Cb 0.00 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 1psk s THR 101 CO 0.00 0.08 0.55 -0.75 -0.69 0.00 0.00 174.62 173.81 1psk s LYS 102 N 1.73 4.25 -0.17 4.92 2.20 0.54 -1.35 119.74 131.86 1psk s LYS 102 Ca 0.01 0.50 -0.06 0.00 -0.36 0.00 0.00 55.97 56.06 1psk s LYS 102 Cb -0.15 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.60 1psk s LYS 102 CO -0.07 -0.09 0.03 -0.51 -0.36 0.00 0.00 175.35 174.35 1psk s LEU 103 N 1.41 3.67 0.06 5.43 2.01 0.17 0.07 118.68 131.50 1psk s LEU 103 Ca 0.26 0.04 0.05 0.00 0.01 0.00 0.00 54.13 54.50 1psk s LEU 103 Cb -0.16 -1.91 -0.03 0.00 0.01 0.00 0.00 46.19 44.11 1psk s LEU 103 CO 0.10 0.20 -0.14 -1.61 1.01 0.00 0.00 176.35 175.91 1psk s GLU 104 N 0.23 0.86 -0.08 1.70 2.02 0.22 -2.91 118.70 120.73 1psk s GLU 104 Ca 0.02 -0.91 -0.24 0.00 0.02 0.00 0.00 54.97 53.86 1psk s GLU 104 Cb -0.13 -0.87 -0.03 0.00 0.10 0.00 0.00 34.13 33.20 1psk s GLU 104 CO 0.01 0.20 0.74 0.42 0.02 0.00 0.00 175.26 176.65 1psk s ILE 105 N -1.16 5.00 0.05 -1.63 1.01 -1.26 -0.63 121.20 122.58 1psk s ILE 105 Ca -0.01 1.51 -0.24 0.00 0.00 0.00 0.00 60.65 61.91 1psk s ILE 105 Cb -0.09 -4.07 -0.06 0.00 0.01 0.00 0.00 42.46 38.24 1psk s ILE 105 CO 0.02 0.20 0.74 -0.75 0.00 0.00 0.00 174.94 175.15 1psk s LYS 106 N 1.10 4.48 0.07 2.79 2.20 0.05 -4.80 119.74 125.63 1psk s LYS 106 Ca 0.38 1.03 0.00 0.00 -0.36 0.00 0.00 55.97 57.03 1psk s LYS 106 Cb -0.18 -3.35 -0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1psk s LYS 106 CO 0.18 0.33 0.09 2.89 -0.36 0.00 0.00 175.35 178.48 1psk n ARG 107 N 2.67 0.14 -2.45 4.03 1.85 -1.26 -4.45 116.66 117.18 1psk n ARG 107 Ca -0.03 -0.63 -0.42 0.00 -1.00 0.00 0.00 57.85 55.77 1psk n ARG 107 Cb 0.50 0.58 -0.03 0.00 -1.05 0.00 0.00 32.46 32.46 1psk n ARG 107 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1psk s ALA 108 N -1.94 3.38 0.15 2.89 0.00 -1.26 -4.96 121.76 120.02 1psk s ALA 108 Ca 0.07 0.83 -0.32 0.00 0.00 0.00 0.00 51.96 52.54 1psk s ALA 108 Cb -0.00 -3.42 -0.12 0.00 0.00 0.00 0.00 23.12 19.58 1psk s ALA 108 CO 0.05 -0.38 1.76 -0.25 0.00 0.00 0.00 175.76 176.94 1psk n ASP 109 N 3.52 3.86 -4.60 0.00 9.92 -1.25 -4.67 116.55 123.33 1psk n ASP 109 Ca 0.07 1.03 -0.27 0.00 -0.53 0.00 0.00 54.79 55.09 1psk n ASP 109 Cb 0.46 -1.53 -0.11 0.00 -0.64 0.00 0.00 41.12 39.31 1psk n ASP 109 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1psk s ALA 110 N 1.95 3.11 0.14 2.24 0.00 0.46 -4.92 121.76 124.75 1psk s ALA 110 Ca 0.79 -2.24 0.06 0.00 0.00 0.00 0.00 51.96 50.58 1psk s ALA 110 Cb -0.53 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1psk s ALA 110 CO 0.36 -0.06 0.02 0.00 0.00 0.00 0.00 175.76 176.09 1psk s ALA 111 N -2.68 3.30 0.55 0.00 0.00 -1.26 -3.83 121.76 117.84 1psk s ALA 111 Ca 0.34 -1.25 -0.15 0.00 0.00 0.00 0.00 51.96 50.90 1psk s ALA 111 Cb 0.07 -1.13 -0.06 0.00 0.00 0.00 0.00 23.12 22.00 1psk s ALA 111 CO 0.18 0.56 1.00 -1.25 0.00 0.00 0.00 175.76 176.25 1psk s PRO 112 N -2.75 3.78 -0.76 0.00 0.04 -1.26 -4.51 135.00 129.54 1psk s PRO 112 Ca 0.27 0.96 -0.14 0.00 0.04 0.00 0.00 61.00 62.13 1psk s PRO 112 Cb -0.10 -2.11 0.20 0.00 0.04 0.00 0.00 34.50 32.53 1psk s PRO 112 CO 0.19 -0.42 0.70 0.99 0.04 0.00 0.00 177.00 178.51 1psk s THR 113 N -2.69 5.51 0.29 1.26 2.01 0.48 -4.86 115.64 117.64 1psk s THR 113 Ca 0.59 -2.25 -0.28 0.00 0.31 0.00 0.00 61.69 60.06 1psk s THR 113 Cb -0.11 -4.43 -0.09 0.00 0.01 0.00 0.00 72.50 67.87 1psk s THR 113 CO 0.36 -0.99 1.01 -0.69 -0.69 0.00 0.00 174.62 173.61 1psk s VAL 114 N 0.50 3.87 -0.05 3.82 1.01 -1.25 -1.75 120.40 126.53 1psk s VAL 114 Ca 0.14 1.74 -0.04 0.00 0.00 0.00 0.00 61.98 63.83 1psk s VAL 114 Cb -0.15 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.20 1psk s VAL 114 CO -0.06 0.31 0.13 -0.44 0.00 0.00 0.00 175.10 175.05 1psk s SER 115 N -1.23 -0.12 0.01 3.32 0.01 -0.00 -4.98 113.70 110.71 1psk s SER 115 Ca 0.46 0.27 0.08 0.00 1.31 0.00 0.00 55.95 58.08 1psk s SER 115 Cb -0.26 0.23 -0.02 0.00 0.21 0.00 0.00 66.02 66.18 1psk s SER 115 CO 0.32 -0.09 -0.26 -0.51 0.41 0.00 0.00 173.24 173.12 1psk s ILE 116 N 0.52 2.06 0.01 1.44 2.07 -1.26 -1.48 121.20 124.55 1psk s ILE 116 Ca -0.04 -1.23 0.02 0.00 -1.41 0.00 0.00 60.65 58.00 1psk s ILE 116 Cb -0.05 -1.73 -0.01 0.00 0.13 0.00 0.00 42.46 40.80 1psk s ILE 116 CO -0.02 0.46 -0.08 -0.36 -1.91 0.00 0.00 174.94 173.03 1psk s PHE 117 N -0.70 0.68 0.37 3.50 0.40 -0.86 -5.03 117.98 116.34 1psk s PHE 117 Ca 0.11 -0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 1psk s PHE 117 Cb -0.10 -0.43 -0.03 0.00 0.51 0.00 0.00 43.02 42.98 1psk s PHE 117 CO 0.01 -0.02 0.58 -1.25 0.70 0.00 0.00 175.22 175.23 1psk s PRO 118 N -0.44 3.42 0.34 0.24 0.04 -1.26 -2.63 135.00 134.70 1psk s PRO 118 Ca 0.01 -0.35 -0.28 0.00 0.04 0.00 0.00 61.00 60.42 1psk s PRO 118 Cb -0.04 -2.64 -0.12 0.00 0.04 0.00 0.00 34.50 31.74 1psk s PRO 118 CO -0.00 0.07 1.27 -0.35 0.04 0.00 0.00 177.00 178.03 1psk n PRO 119 N -1.85 2.08 -2.31 0.56 -0.04 -1.23 -4.89 135.00 127.31 1psk n PRO 119 Ca -0.04 0.73 -0.34 0.00 -0.04 0.00 0.00 63.50 63.81 1psk n PRO 119 Cb 0.56 -2.30 -0.01 0.00 -0.04 0.00 0.00 33.50 31.72 1psk n PRO 119 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1psk s SER 120 N -0.33 5.97 0.36 3.54 1.04 -1.26 -4.82 113.70 118.20 1psk s SER 120 Ca 0.56 1.99 0.07 0.00 0.48 0.00 0.00 55.95 59.04 1psk s SER 120 Cb -0.58 -2.56 0.76 0.00 0.10 0.00 0.00 66.02 63.74 1psk s SER 120 CO 0.62 -1.04 1.92 0.28 0.98 0.00 0.00 173.24 176.00 1psk h SER 121 N 1.14 0.68 -0.59 7.02 0.02 -1.98 0.15 113.55 119.99 1psk h SER 121 Ca -0.49 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 60.52 1psk h SER 121 Cb 1.23 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.61 1psk h SER 121 CO 0.58 0.40 0.34 -0.33 -1.14 0.00 0.00 176.83 176.68 1psk h GLU 122 N 0.75 0.63 -0.20 3.45 3.07 -1.99 0.31 114.58 120.61 1psk h GLU 122 Ca 0.37 -0.04 -0.16 0.00 -0.50 0.00 0.00 59.36 59.03 1psk h GLU 122 Cb 0.43 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1psk h GLU 122 CO -0.14 0.42 -0.51 0.37 -1.40 0.00 0.00 179.01 177.74 1psk h GLN 123 N 0.65 0.70 -0.63 2.33 4.15 -1.29 -2.39 115.11 118.63 1psk h GLN 123 Ca 0.25 -0.49 -0.00 0.00 0.77 0.00 0.00 58.65 59.18 1psk h GLN 123 Cb 0.09 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 1psk h GLN 123 CO -0.13 1.11 0.39 1.25 -1.93 0.00 0.00 178.83 179.51 1psk h LEU 124 N 0.40 0.75 -1.32 -2.39 5.85 -0.33 -1.00 115.31 117.27 1psk h LEU 124 Ca -0.01 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 1psk h LEU 124 Cb 1.13 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1psk h LEU 124 CO 0.11 0.58 -0.24 0.71 -0.34 0.00 0.00 178.44 179.26 1psk h THR 125 N 0.85 0.70 0.00 1.05 1.35 -0.39 -2.69 112.91 113.79 1psk h THR 125 Ca 0.23 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 1psk h THR 125 Cb -0.04 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1psk h THR 125 CO -0.04 0.24 0.00 0.28 -0.25 0.00 0.00 175.52 175.75 1psk h SER 126 N 0.00 0.00 0.00 5.36 0.02 -0.65 -3.47 113.55 114.82 1psk h SER 126 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1psk h SER 126 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1psk h SER 126 CO 0.03 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.33 1psk n GLY 127 N 0.34 0.82 3.42 -3.77 0.00 -1.01 -5.09 105.19 99.89 1psk n GLY 127 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1psk n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1psk s GLY 128 N -1.52 2.01 -0.18 -0.02 0.00 -1.14 -2.75 107.32 103.72 1psk s GLY 128 Ca 0.00 -1.97 -0.07 0.00 0.00 0.00 0.00 44.72 42.68 1psk s GLY 128 CO 0.00 -1.76 0.39 0.00 0.00 0.00 0.00 173.10 171.73 1psk s ALA 129 N -3.42 -1.03 -0.10 3.20 0.00 0.14 -3.29 121.76 117.26 1psk s ALA 129 Ca 0.36 1.42 0.03 0.00 0.00 0.00 0.00 51.96 53.77 1psk s ALA 129 Cb 0.08 -1.16 0.01 0.00 0.00 0.00 0.00 23.12 22.05 1psk s ALA 129 CO 0.15 -0.60 -0.19 -1.54 0.00 0.00 0.00 175.76 173.58 1psk s SER 130 N 2.24 2.69 -0.35 0.00 1.04 -1.26 -0.46 113.70 117.59 1psk s SER 130 Ca -0.04 -0.49 -0.14 0.00 0.48 0.00 0.00 55.95 55.77 1psk s SER 130 Cb -0.11 -1.23 -0.01 0.00 0.10 0.00 0.00 66.02 64.77 1psk s SER 130 CO -0.12 0.09 0.31 -0.69 0.98 0.00 0.00 173.24 173.81 1psk s VAL 131 N 0.60 5.22 0.20 5.02 1.01 0.01 -3.55 120.40 128.92 1psk s VAL 131 Ca -0.14 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 1psk s VAL 131 Cb -0.17 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 1psk s VAL 131 CO 0.04 -0.08 0.46 -0.69 0.00 0.00 0.00 175.10 174.83 1psk s VAL 132 N 1.87 5.07 -0.14 2.92 1.01 -1.08 -1.64 120.40 128.41 1psk s VAL 132 Ca 0.09 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 1psk s VAL 132 Cb -0.17 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.63 1psk s VAL 132 CO 0.11 -0.07 0.13 0.00 0.00 0.00 0.00 175.10 175.28 1psk s PHE 134 N 2.22 3.35 -0.59 0.00 0.08 -0.55 -0.91 117.98 121.58 1psk s PHE 134 Ca 0.04 0.36 0.02 0.00 0.12 0.00 0.00 56.93 57.47 1psk s PHE 134 Cb -0.14 -2.32 0.15 0.00 -0.57 0.00 0.00 43.02 40.13 1psk s PHE 134 CO -0.08 0.09 0.36 -0.51 -0.10 0.00 0.00 175.22 174.98 1psk s LEU 135 N 0.99 4.66 0.34 -0.37 1.02 -0.87 -0.82 118.68 123.63 1psk s LEU 135 Ca 0.11 -3.14 -0.13 0.00 0.02 0.00 0.00 54.13 50.99 1psk s LEU 135 Cb -0.13 -1.70 -0.08 0.00 0.02 0.00 0.00 46.19 44.29 1psk s LEU 135 CO 0.04 -0.24 0.72 0.20 0.02 0.00 0.00 176.35 177.10 1psk s ASN 136 N -0.24 6.66 -1.00 2.29 -0.87 -0.72 -0.19 114.94 120.87 1psk s ASN 136 Ca 0.19 1.17 -0.15 0.00 -1.57 0.00 0.00 52.86 52.49 1psk s ASN 136 Cb -0.21 -2.33 0.02 0.00 -0.02 0.00 0.00 41.25 38.71 1psk s ASN 136 CO -0.04 -0.25 0.66 0.59 -2.57 0.00 0.00 177.10 175.49 1psk n ASN 137 N -0.66 -4.86 -4.44 -1.22 4.13 -1.22 -0.39 115.26 106.61 1psk n ASN 137 Ca 0.03 -1.04 -0.24 0.00 1.68 0.00 0.00 54.58 55.01 1psk n ASN 137 Cb 0.53 -2.13 -0.11 0.00 -1.54 0.00 0.00 39.78 36.54 1psk n ASN 137 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1psk s PHE 138 N -3.24 2.22 -0.17 3.10 -0.71 0.13 -4.58 117.98 114.72 1psk s PHE 138 Ca 0.24 -0.37 -0.08 0.00 -1.04 0.00 0.00 56.93 55.68 1psk s PHE 138 Cb -0.12 -1.02 0.07 0.00 -1.21 0.00 0.00 43.02 40.74 1psk s PHE 138 CO 0.91 0.60 0.39 -0.47 -1.34 0.00 0.00 175.22 175.31 1psk s TYR 139 N -2.24 -0.64 0.79 3.49 5.04 -1.25 -0.72 117.35 121.82 1psk s TYR 139 Ca 0.26 1.32 -0.11 0.00 -2.44 0.00 0.00 57.07 56.10 1psk s TYR 139 Cb -0.06 0.25 0.07 0.00 0.35 0.00 0.00 41.96 42.57 1psk s TYR 139 CO 0.12 -0.38 1.10 -1.25 -1.34 0.00 0.00 175.55 173.80 1psk s PRO 140 N 1.86 2.12 0.59 4.97 0.04 -1.26 -0.40 135.00 142.92 1psk s PRO 140 Ca -0.06 1.22 0.36 0.00 0.04 0.00 0.00 61.00 62.56 1psk s PRO 140 Cb -0.10 -1.88 1.83 0.00 0.04 0.00 0.00 34.50 34.39 1psk s PRO 140 CO -0.12 -1.75 2.17 1.57 0.04 0.00 0.00 177.00 178.91 1psk h LYS 141 N -1.20 0.00 -6.19 4.56 2.10 -1.96 -3.42 116.57 110.47 1psk h LYS 141 Ca -0.43 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 57.64 1psk h LYS 141 Cb 1.24 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.55 1psk h LYS 141 CO 0.50 0.03 1.32 -0.51 -2.00 0.00 0.00 179.45 178.80 1psk s ASP 142 N -5.61 5.85 -0.18 7.07 1.01 -1.26 -4.94 116.67 118.62 1psk s ASP 142 Ca -0.02 1.61 -0.15 0.00 0.71 0.00 0.00 52.55 54.69 1psk s ASP 142 Cb 0.12 -2.52 0.05 0.00 1.01 0.00 0.00 42.92 41.57 1psk s ASP 142 CO 0.50 -1.69 0.47 -0.51 0.21 0.00 0.00 175.17 174.14 1psk s ILE 143 N 6.98 -0.00 -0.17 0.77 2.07 -1.26 -4.30 121.20 125.29 1psk s ILE 143 Ca 0.86 0.01 -0.03 0.00 -1.41 0.00 0.00 60.65 60.08 1psk s ILE 143 Cb -0.27 -0.66 -0.02 0.00 0.13 0.00 0.00 42.46 41.64 1psk s ILE 143 CO 0.34 0.00 -0.05 0.21 -1.91 0.00 0.00 174.94 173.53 1psk s ASN 144 N 0.43 4.48 -0.14 4.50 2.47 -0.96 -4.99 114.94 120.74 1psk s ASN 144 Ca -0.02 -0.26 0.02 0.00 0.42 0.00 0.00 52.86 53.02 1psk s ASN 144 Cb -0.04 -1.74 0.00 0.00 -1.45 0.00 0.00 41.25 38.03 1psk s ASN 144 CO -0.02 0.10 -0.19 -0.69 -3.72 0.00 0.00 177.10 172.59 1psk s VAL 145 N 0.76 2.37 -0.04 -5.21 1.01 -1.26 0.61 120.40 118.64 1psk s VAL 145 Ca -0.02 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.14 1psk s VAL 145 Cb -0.15 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1psk s VAL 145 CO 0.02 0.53 -0.22 -0.54 0.00 0.00 0.00 175.10 174.89 1psk s LYS 146 N 0.76 2.41 -0.18 2.72 1.02 -0.46 -4.96 119.74 121.05 1psk s LYS 146 Ca -0.07 -0.84 -0.09 0.00 0.02 0.00 0.00 55.97 54.98 1psk s LYS 146 Cb -0.16 -2.20 -0.05 0.00 -0.52 0.00 0.00 37.83 34.91 1psk s LYS 146 CO 0.00 0.51 0.11 -1.58 -0.92 0.00 0.00 175.35 173.48 1psk s TRP 147 N -0.47 3.40 -0.07 3.18 0.52 -1.26 -1.22 118.94 123.02 1psk s TRP 147 Ca 0.06 0.31 0.03 0.00 0.02 0.00 0.00 56.10 56.51 1psk s TRP 147 Cb -0.12 -2.09 0.01 0.00 -1.15 0.00 0.00 33.47 30.12 1psk s TRP 147 CO 0.01 0.35 -0.16 0.15 0.02 0.00 0.00 176.95 177.32 1psk s LYS 148 N 0.07 2.08 -0.23 4.98 1.02 0.16 -1.57 119.74 126.25 1psk s LYS 148 Ca 0.08 -0.55 0.02 0.00 0.02 0.00 0.00 55.97 55.55 1psk s LYS 148 Cb -0.11 -1.66 0.05 0.00 -0.52 0.00 0.00 37.83 35.59 1psk s LYS 148 CO -0.00 0.08 -0.13 0.42 -0.92 0.00 0.00 175.35 174.79 1psk s ILE 149 N 0.55 2.06 -1.47 2.17 1.01 0.77 -0.67 121.20 125.61 1psk s ILE 149 Ca -0.15 -1.36 -0.11 0.00 0.00 0.00 0.00 60.65 59.03 1psk s ILE 149 Cb -0.16 -2.08 0.05 0.00 0.01 0.00 0.00 42.46 40.28 1psk s ILE 149 CO 0.05 0.15 0.92 0.47 0.00 0.00 0.00 174.94 176.53 1psk n ASP 150 N 4.52 -5.35 -0.11 3.58 8.00 0.29 -0.29 116.55 127.20 1psk n ASP 150 Ca -0.16 -0.59 -0.01 0.00 0.71 0.00 0.00 54.79 54.74 1psk n ASP 150 Cb 0.45 -4.27 -0.01 0.00 -0.02 0.00 0.00 41.12 37.27 1psk n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1psk n GLY 151 N -1.69 0.50 3.23 0.44 0.00 -1.26 -5.02 105.19 101.39 1psk n GLY 151 Ca 0.00 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 1psk n GLY 151 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1psk s SER 152 N -2.32 3.67 0.05 1.61 0.15 0.60 -5.03 113.70 112.43 1psk s SER 152 Ca 0.00 -0.50 -0.31 0.00 0.70 0.00 0.00 55.95 55.84 1psk s SER 152 Cb 0.00 -1.58 -0.08 0.00 -1.71 0.00 0.00 66.02 62.65 1psk s SER 152 CO 0.00 0.03 1.64 -1.61 1.20 0.00 0.00 173.24 174.50 1psk s GLU 153 N 1.12 4.20 -0.21 5.44 2.02 -1.25 -0.17 118.70 129.85 1psk s GLU 153 Ca 0.00 2.30 -0.08 0.00 0.02 0.00 0.00 54.97 57.21 1psk s GLU 153 Cb -0.14 -3.63 -0.04 0.00 0.10 0.00 0.00 34.13 30.41 1psk s GLU 153 CO -0.05 -0.73 0.09 0.50 0.02 0.00 0.00 175.26 175.09 1psk s ARG 154 N 2.76 3.94 -0.22 1.61 6.06 -0.61 -4.96 118.95 127.52 1psk s ARG 154 Ca 0.73 -0.35 -0.07 0.00 -2.50 0.00 0.00 55.73 53.55 1psk s ARG 154 Cb -0.39 -3.31 -0.11 0.00 0.06 0.00 0.00 34.95 31.20 1psk s ARG 154 CO 0.32 0.14 -0.25 0.00 -2.50 0.00 0.00 175.30 173.00 1psk n GLN 155 N 3.97 0.50 -2.92 5.12 0.00 -1.26 -4.37 117.38 118.42 1psk n GLN 155 Ca -0.16 0.18 -0.39 0.00 0.00 0.00 0.00 57.00 56.62 1psk n GLN 155 Cb 0.52 -1.35 -0.06 0.00 0.00 0.00 0.00 30.24 29.35 1psk n GLN 155 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1psk s ASN 156 N -6.67 7.45 0.00 2.61 0.01 -1.26 -3.79 114.94 113.29 1psk s ASN 156 Ca -0.30 1.73 0.00 0.00 -0.71 0.00 0.00 52.86 53.57 1psk s ASN 156 Cb 0.10 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.23 1psk s ASN 156 CO 0.43 0.19 0.00 0.61 -1.51 0.00 0.00 177.10 176.82 1psk n GLY 157 N 1.52 0.41 3.71 0.66 0.00 -1.26 -4.86 105.19 105.37 1psk n GLY 157 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 1psk n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1psk s VAL 158 N -2.15 5.04 -0.43 1.61 1.01 -1.25 -1.27 120.40 122.97 1psk s VAL 158 Ca 0.00 1.42 0.03 0.00 0.00 0.00 0.00 61.98 63.43 1psk s VAL 158 Cb 0.00 -4.03 0.12 0.00 0.00 0.00 0.00 36.38 32.46 1psk s VAL 158 CO 0.00 0.23 0.17 -0.22 0.00 0.00 0.00 175.10 175.28 1psk s LEU 159 N 0.96 4.73 0.44 3.92 2.96 -0.03 -4.91 118.68 126.76 1psk s LEU 159 Ca 0.37 -2.47 -0.09 0.00 -0.22 0.00 0.00 54.13 51.72 1psk s LEU 159 Cb -0.17 -1.68 -0.05 0.00 0.50 0.00 0.00 46.19 44.78 1psk s LEU 159 CO 0.17 -0.35 0.79 0.20 -1.32 0.00 0.00 176.35 175.84 1psk s ASN 160 N 0.63 6.42 -0.29 3.68 0.01 -1.26 -2.30 114.94 121.83 1psk s ASN 160 Ca 0.13 1.09 -0.03 0.00 -0.71 0.00 0.00 52.86 53.34 1psk s ASN 160 Cb -0.22 -2.31 0.19 0.00 0.41 0.00 0.00 41.25 39.32 1psk s ASN 160 CO -0.05 -0.49 0.82 -0.55 -1.51 0.00 0.00 177.10 175.33 1psk s SER 161 N -3.53 -1.01 0.35 -1.22 0.15 -0.81 -4.98 113.70 102.65 1psk s SER 161 Ca 0.50 0.15 -0.17 0.00 0.70 0.00 0.00 55.95 57.13 1psk s SER 161 Cb -0.10 1.66 -0.10 0.00 -1.71 0.00 0.00 66.02 65.77 1psk s SER 161 CO 0.37 -0.19 0.81 0.26 1.20 0.00 0.00 173.24 175.70 1psk s TRP 162 N 2.90 3.37 0.55 3.44 0.51 -1.26 -3.08 118.94 125.37 1psk s TRP 162 Ca 0.18 1.37 -0.01 0.00 -2.12 0.00 0.00 56.10 55.52 1psk s TRP 162 Cb -0.06 -2.65 0.03 0.00 -0.81 0.00 0.00 33.47 29.97 1psk s TRP 162 CO -0.24 0.04 0.80 0.95 -0.51 0.00 0.00 176.95 177.99 1psk s THR 163 N -2.02 3.05 0.04 2.01 -4.23 -0.56 -5.00 115.64 108.93 1psk s THR 163 Ca 0.56 -0.49 -0.26 0.00 -1.18 0.00 0.00 61.69 60.32 1psk s THR 163 Cb -0.10 -3.17 -0.05 0.00 1.34 0.00 0.00 72.50 70.52 1psk s THR 163 CO 0.16 -0.13 0.79 1.51 -0.54 0.00 0.00 174.62 176.41 1psk s ASP 164 N -4.37 7.23 -0.06 3.99 1.47 -1.26 -4.58 116.67 119.08 1psk s ASP 164 Ca 0.55 1.47 -0.11 0.00 1.18 0.00 0.00 52.55 55.64 1psk s ASP 164 Cb -0.10 -2.48 -0.05 0.00 -0.34 0.00 0.00 42.92 39.94 1psk s ASP 164 CO 0.40 -0.03 0.34 1.67 0.68 0.00 0.00 175.17 178.23 1psk n GLN 165 N 3.00 0.00 -1.78 2.11 7.27 -1.26 -4.79 117.38 121.92 1psk n GLN 165 Ca -0.01 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.64 1psk n GLN 165 Cb 0.50 -0.38 -0.03 0.00 2.41 0.00 0.00 30.24 32.74 1psk n GLN 165 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1psk s ASP 166 N 0.39 6.49 0.58 1.69 2.15 0.35 -4.85 116.67 123.48 1psk s ASP 166 Ca 0.25 2.63 0.28 0.00 0.43 0.00 0.00 52.55 56.14 1psk s ASP 166 Cb -0.35 -2.55 1.71 0.00 -0.30 0.00 0.00 42.92 41.43 1psk s ASP 166 CO 0.18 -0.98 2.18 0.77 -0.17 0.00 0.00 175.17 177.14 1psk h SER 167 N 9.11 0.00 0.00 -0.34 4.64 -1.89 0.51 113.55 125.58 1psk h SER 167 Ca -0.46 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.66 1psk h SER 167 Cb 1.22 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1psk h SER 167 CO 0.94 0.00 -1.26 0.29 -0.87 0.00 0.00 176.83 175.93 1psk n LYS 168 N -3.88 0.54 0.00 4.77 5.02 -1.26 -4.64 118.16 118.72 1psk n LYS 168 Ca -0.01 0.51 0.08 0.00 -2.02 0.00 0.00 58.31 56.88 1psk n LYS 168 Cb 0.19 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1psk n LYS 168 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1psk n ASP 169 N -4.45 1.68 -2.28 4.39 5.68 -1.23 -5.01 116.55 115.34 1psk n ASP 169 Ca -0.29 -1.34 -0.15 0.00 -0.50 0.00 0.00 54.79 52.51 1psk n ASP 169 Cb 0.62 0.44 0.04 0.00 -1.14 0.00 0.00 41.12 41.08 1psk n ASP 169 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1psk n SER 170 N -0.06 -4.67 -4.40 -1.12 7.64 0.18 -4.99 113.62 106.20 1psk n SER 170 Ca 0.07 -0.28 -0.22 0.00 1.01 0.00 0.00 58.87 59.46 1psk n SER 170 Cb 0.35 -3.37 -0.10 0.00 -1.01 0.00 0.00 64.21 60.07 1psk n SER 170 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1psk s THR 171 N -3.10 2.09 0.17 0.44 -4.23 -1.25 -4.69 115.64 105.07 1psk s THR 171 Ca 0.30 -2.25 0.04 0.00 -1.18 0.00 0.00 61.69 58.60 1psk s THR 171 Cb -0.13 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 1psk s THR 171 CO 0.37 -0.46 0.24 -0.31 -0.54 0.00 0.00 174.62 173.92 1psk s TYR 172 N -2.61 3.34 0.01 3.99 2.02 0.10 -0.50 117.35 123.71 1psk s TYR 172 Ca 0.25 0.04 0.04 0.00 -0.37 0.00 0.00 57.07 57.02 1psk s TYR 172 Cb -0.03 -1.58 -0.01 0.00 -0.40 0.00 0.00 41.96 39.93 1psk s TYR 172 CO 0.10 0.51 -0.12 -1.12 -1.57 0.00 0.00 175.55 173.35 1psk s SER 173 N -3.32 1.38 0.40 2.29 0.01 -1.26 -0.70 113.70 112.50 1psk s SER 173 Ca 0.33 -0.30 0.08 0.00 1.31 0.00 0.00 55.95 57.37 1psk s SER 173 Cb -0.10 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 1psk s SER 173 CO 0.27 0.09 0.31 -0.04 0.41 0.00 0.00 173.24 174.27 1psk s MET 174 N -0.59 2.49 -0.29 12.44 -1.94 0.73 -1.49 119.30 130.64 1psk s MET 174 Ca 0.03 -1.56 -0.00 0.00 -1.71 0.00 0.00 55.69 52.44 1psk s MET 174 Cb -0.06 -2.30 0.18 0.00 2.01 0.00 0.00 34.83 34.67 1psk s MET 174 CO 0.00 -0.11 0.57 0.45 -0.01 0.00 0.00 175.02 175.92 1psk s SER 175 N -4.04 -1.19 -0.15 3.03 0.15 -1.18 -2.05 113.70 108.27 1psk s SER 175 Ca 0.45 0.70 -0.03 0.00 0.70 0.00 0.00 55.95 57.77 1psk s SER 175 Cb -0.02 2.01 -0.03 0.00 -1.71 0.00 0.00 66.02 66.27 1psk s SER 175 CO 0.26 -0.27 -0.05 -0.55 1.20 0.00 0.00 173.24 173.84 1psk s SER 176 N 2.81 4.72 -0.28 5.45 0.15 -0.09 -1.92 113.70 124.54 1psk s SER 176 Ca 0.19 -0.15 0.01 0.00 0.70 0.00 0.00 55.95 56.70 1psk s SER 176 Cb -0.14 -1.77 0.08 0.00 -1.71 0.00 0.00 66.02 62.48 1psk s SER 176 CO -0.21 0.16 0.00 -0.89 1.20 0.00 0.00 173.24 173.50 1psk s THR 177 N 0.39 1.64 -0.02 6.45 2.01 -0.97 0.03 115.64 125.16 1psk s THR 177 Ca -0.05 -1.59 -0.23 0.00 0.31 0.00 0.00 61.69 60.13 1psk s THR 177 Cb -0.14 -2.04 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 1psk s THR 177 CO 0.03 -0.34 0.70 -0.22 -0.69 0.00 0.00 174.62 174.10 1psk s LEU 178 N 1.29 4.38 -0.10 4.42 2.96 -0.65 -0.85 118.68 130.12 1psk s LEU 178 Ca 0.02 1.27 0.03 0.00 -0.22 0.00 0.00 54.13 55.23 1psk s LEU 178 Cb -0.19 -3.10 0.01 0.00 0.50 0.00 0.00 46.19 43.41 1psk s LEU 178 CO -0.10 -0.03 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.82 1psk s THR 179 N 0.32 1.71 0.30 3.68 2.01 -0.39 -0.81 115.64 122.45 1psk s THR 179 Ca 0.37 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.60 1psk s THR 179 Cb -0.19 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 1psk s THR 179 CO 0.20 0.48 0.17 -1.48 -0.69 0.00 0.00 174.62 173.30 1psk s LEU 180 N 0.69 1.63 0.57 4.42 0.05 0.39 -4.73 118.68 121.70 1psk s LEU 180 Ca -0.12 -1.56 -0.15 0.00 0.05 0.00 0.00 54.13 52.35 1psk s LEU 180 Cb -0.16 0.25 -0.05 0.00 -2.05 0.00 0.00 46.19 44.18 1psk s LEU 180 CO 0.03 -0.90 1.02 0.42 -0.55 0.00 0.00 176.35 176.36 1psk s THR 181 N -3.65 4.35 0.34 5.48 -4.23 -1.26 -0.69 115.64 115.97 1psk s THR 181 Ca 0.36 1.03 0.06 0.00 -1.18 0.00 0.00 61.69 61.96 1psk s THR 181 Cb 0.05 -3.64 0.30 0.00 1.34 0.00 0.00 72.50 70.56 1psk s THR 181 CO 0.18 -0.74 1.89 0.50 -0.54 0.00 0.00 174.62 175.91 1psk h LYS 182 N 0.46 0.78 0.18 3.99 3.64 -1.75 -0.80 116.57 123.07 1psk h LYS 182 Ca -0.46 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 1psk h LYS 182 Cb 1.20 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1psk h LYS 182 CO 0.60 0.52 -0.09 -0.44 -2.27 0.00 0.00 179.45 177.77 1psk h ASP 183 N 0.81 -0.20 -0.97 4.20 5.19 -1.89 -0.86 116.42 122.70 1psk h ASP 183 Ca 0.42 -0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.83 1psk h ASP 183 Cb 0.52 0.05 -0.05 0.00 0.18 0.00 0.00 39.33 40.04 1psk h ASP 183 CO -0.19 -0.13 0.64 -0.33 -3.12 0.00 0.00 179.24 176.12 1psk h GLU 184 N -0.26 1.27 0.39 3.56 5.08 -1.72 -2.96 114.58 119.94 1psk h GLU 184 Ca -0.02 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1psk h GLU 184 Cb 0.20 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1psk h GLU 184 CO 0.04 0.84 -0.25 -0.92 -1.00 0.00 0.00 179.01 177.72 1psk h TYR 185 N 1.31 -0.66 -1.14 4.33 3.20 -0.74 -3.26 116.97 120.01 1psk h TYR 185 Ca 0.36 -0.01 -0.70 0.00 3.14 0.00 0.00 58.73 61.52 1psk h TYR 185 Cb -0.15 0.24 -0.10 0.00 1.54 0.00 0.00 36.73 38.26 1psk h TYR 185 CO -0.00 -0.38 2.07 0.39 -1.64 0.00 0.00 178.16 178.59 1psk n GLU 186 N -5.38 3.23 0.00 1.82 1.02 -0.37 -2.43 120.64 118.53 1psk n GLU 186 Ca -0.10 -3.38 0.00 0.00 -0.02 0.00 0.00 57.16 53.66 1psk n GLU 186 Cb 0.28 -3.35 0.00 0.00 -0.02 0.00 0.00 31.44 28.36 1psk n GLU 186 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1psk n ARG 187 N 7.35 0.00 -4.41 3.49 0.63 -1.23 -4.86 116.66 117.63 1psk n ARG 187 Ca 0.46 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 57.10 1psk n ARG 187 Cb 0.44 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.23 1psk n ARG 187 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1psk s HIS 188 N -0.06 2.40 -0.11 -0.14 3.76 -1.02 -5.08 115.29 115.03 1psk s HIS 188 Ca 0.00 -0.34 -0.05 0.00 -0.15 0.00 0.00 55.06 54.52 1psk s HIS 188 Cb 0.00 -1.30 -0.05 0.00 1.11 0.00 0.00 32.58 32.34 1psk s HIS 188 CO 0.00 0.34 -0.14 0.09 -0.85 0.00 0.00 174.74 174.17 1psk n ASN 189 N 0.96 1.00 -4.56 1.40 4.13 -1.26 -4.75 115.26 112.18 1psk n ASN 189 Ca -0.17 0.12 -0.42 0.00 1.68 0.00 0.00 54.58 55.79 1psk n ASN 189 Cb 0.53 -0.32 -0.06 0.00 -1.54 0.00 0.00 39.78 38.38 1psk n ASN 189 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1psk s SER 190 N -5.94 6.42 -0.19 6.41 0.01 -1.26 0.07 113.70 119.21 1psk s SER 190 Ca -0.16 0.08 -0.04 0.00 1.31 0.00 0.00 55.95 57.14 1psk s SER 190 Cb 0.06 -2.34 -0.02 0.00 0.21 0.00 0.00 66.02 63.93 1psk s SER 190 CO 0.20 -0.66 -0.03 -0.31 0.41 0.00 0.00 173.24 172.85 1psk s TYR 191 N 2.82 2.99 -0.03 2.43 2.02 -0.33 -0.54 117.35 126.70 1psk s TYR 191 Ca 0.25 -0.58 0.02 0.00 -0.37 0.00 0.00 57.07 56.39 1psk s TYR 191 Cb -0.14 -2.05 0.01 0.00 -0.40 0.00 0.00 41.96 39.38 1psk s TYR 191 CO 0.16 -0.29 -0.08 0.99 -1.57 0.00 0.00 175.55 174.76 1psk s THR 192 N 0.97 0.70 -0.11 -0.71 2.01 0.15 -1.21 115.64 117.44 1psk s THR 192 Ca 0.01 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1psk s THR 192 Cb -0.15 -0.63 0.02 0.00 0.01 0.00 0.00 72.50 71.75 1psk s THR 192 CO 0.01 0.23 -0.12 0.00 -0.69 0.00 0.00 174.62 174.05 1psk s GLU 194 N 1.26 2.10 -0.45 0.00 -1.05 -0.36 -2.97 118.70 117.24 1psk s GLU 194 Ca -0.02 -0.75 -0.17 0.00 -0.15 0.00 0.00 54.97 53.88 1psk s GLU 194 Cb -0.14 -1.82 0.04 0.00 -0.44 0.00 0.00 34.13 31.77 1psk s GLU 194 CO -0.05 0.32 0.46 0.00 0.95 0.00 0.00 175.26 176.94 1psk s ALA 195 N -0.09 3.45 -1.08 -0.84 0.00 -0.34 -1.36 121.76 121.50 1psk s ALA 195 Ca -0.03 -1.72 -0.16 0.00 0.00 0.00 0.00 51.96 50.05 1psk s ALA 195 Cb -0.12 -3.11 0.15 0.00 0.00 0.00 0.00 23.12 20.04 1psk s ALA 195 CO 0.03 -1.70 1.30 0.99 0.00 0.00 0.00 175.76 176.38 1psk s THR 196 N 2.09 4.86 0.55 0.00 2.01 0.20 -1.68 115.64 123.68 1psk s THR 196 Ca 0.10 -2.12 0.02 0.00 0.31 0.00 0.00 61.69 60.01 1psk s THR 196 Cb -0.19 -4.86 0.04 0.00 0.01 0.00 0.00 72.50 67.50 1psk s THR 196 CO 0.11 -1.58 0.77 -2.28 -0.69 0.00 0.00 174.62 170.95 1psk s HIS 197 N 2.18 2.63 -0.12 4.92 2.46 -1.26 -2.26 115.29 123.84 1psk s HIS 197 Ca 0.38 -0.14 0.30 0.00 0.47 0.00 0.00 55.06 56.08 1psk s HIS 197 Cb -0.04 -2.70 1.09 0.00 -0.13 0.00 0.00 32.58 30.80 1psk s HIS 197 CO -0.04 -0.92 1.87 0.87 -2.47 0.00 0.00 174.74 174.04 1psk h LYS 198 N 0.09 0.00 -0.00 2.88 1.57 -1.93 -2.92 116.57 116.26 1psk h LYS 198 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1psk h LYS 198 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1psk h LYS 198 CO 0.49 0.00 -0.52 0.25 -0.57 0.00 0.00 179.45 179.10 1psk n THR 199 N -2.96 0.00 -3.77 -0.16 -2.24 -1.26 -4.85 114.28 99.04 1psk n THR 199 Ca 0.02 -0.01 -0.36 0.00 -2.27 0.00 0.00 64.05 61.43 1psk n THR 199 Cb 0.35 0.30 -0.12 0.00 -2.10 0.00 0.00 70.33 68.76 1psk n THR 199 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1psk s SER 200 N -2.98 5.34 0.04 3.42 0.01 -1.10 -4.93 113.70 113.50 1psk s SER 200 Ca 0.11 -0.13 -0.17 0.00 1.31 0.00 0.00 55.95 57.07 1psk s SER 200 Cb 0.17 -1.96 -0.22 0.00 0.21 0.00 0.00 66.02 64.23 1psk s SER 200 CO 0.70 -0.01 1.17 0.71 0.41 0.00 0.00 173.24 176.23 1psk h THR 201 N 5.42 1.35 -3.41 1.44 1.35 -1.89 -3.43 112.91 113.75 1psk h THR 201 Ca -0.37 -2.09 -0.66 0.00 -0.55 0.00 0.00 66.41 62.74 1psk h THR 201 Cb 1.18 2.40 -0.25 0.00 -1.73 0.00 0.00 68.15 69.75 1psk h THR 201 CO 0.59 0.63 -0.74 -0.55 -0.25 0.00 0.00 175.52 175.20 1psk s SER 202 N -6.97 4.24 0.32 5.36 0.15 -1.26 -5.09 113.70 110.45 1psk s SER 202 Ca -0.12 -0.25 -0.28 0.00 0.70 0.00 0.00 55.95 56.00 1psk s SER 202 Cb 0.05 -1.55 -0.13 0.00 -1.71 0.00 0.00 66.02 62.69 1psk s SER 202 CO 0.87 0.20 1.21 -0.81 1.20 0.00 0.00 173.24 175.90 1psk n PRO 203 N 3.32 1.88 -2.25 5.44 -0.04 -1.26 -4.91 135.00 137.18 1psk n PRO 203 Ca -0.18 0.66 -0.43 0.00 -0.04 0.00 0.00 63.50 63.51 1psk n PRO 203 Cb 0.53 -2.18 -0.02 0.00 -0.04 0.00 0.00 33.50 31.78 1psk n PRO 203 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1psk s ILE 204 N -1.04 3.87 -0.05 0.52 -1.09 -0.67 -4.83 121.20 117.90 1psk s ILE 204 Ca 0.57 0.96 -0.02 0.00 -2.23 0.00 0.00 60.65 59.93 1psk s ILE 204 Cb -0.61 -3.93 -0.04 0.00 -1.58 0.00 0.00 42.46 36.30 1psk s ILE 204 CO 0.61 -0.44 0.05 -0.69 -1.23 0.00 0.00 174.94 173.25 1psk s VAL 205 N 5.07 4.63 -0.02 2.92 1.01 -1.26 -1.20 120.40 131.55 1psk s VAL 205 Ca 0.65 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1psk s VAL 205 Cb -0.20 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 33.18 1psk s VAL 205 CO 0.28 0.50 0.03 -0.75 0.00 0.00 0.00 175.10 175.15 1psk s LYS 206 N -1.27 0.01 0.07 2.72 2.47 -1.16 -5.04 119.74 117.54 1psk s LYS 206 Ca 0.17 0.17 -0.05 0.00 -1.56 0.00 0.00 55.97 54.71 1psk s LYS 206 Cb -0.12 -0.28 -0.02 0.00 -1.46 0.00 0.00 37.83 35.95 1psk s LYS 206 CO 0.07 -0.16 0.08 0.45 0.16 0.00 0.00 175.35 175.95 1psk s SER 207 N 1.07 0.29 0.00 1.43 0.15 -1.26 -1.95 113.70 113.43 1psk s SER 207 Ca -0.09 -0.79 -0.17 0.00 0.70 0.00 0.00 55.95 55.60 1psk s SER 207 Cb -0.13 0.27 0.03 0.00 -1.71 0.00 0.00 66.02 64.47 1psk s SER 207 CO -0.03 -0.65 0.36 0.72 1.20 0.00 0.00 173.24 174.84 1psk s PHE 208 N -3.76 -0.22 -0.20 3.44 -0.12 -0.35 -5.01 117.98 111.76 1psk s PHE 208 Ca 0.05 0.27 -0.05 0.00 -0.05 0.00 0.00 56.93 57.15 1psk s PHE 208 Cb 0.06 0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.57 1psk s PHE 208 CO -0.10 -0.46 -0.01 -0.80 -0.05 0.00 0.00 175.22 173.80 1psk s ASN 209 N -1.59 4.74 0.38 1.98 -0.87 -1.26 -1.19 114.94 117.13 1psk s ASN 209 Ca -0.10 -0.23 0.27 0.00 -1.57 0.00 0.00 52.86 51.23 1psk s ASN 209 Cb -0.03 -1.81 1.31 0.00 -0.02 0.00 0.00 41.25 40.70 1psk s ASN 209 CO 0.02 0.06 1.41 -1.14 -2.57 0.00 0.00 177.10 174.88 1psk n ARG 210 N 4.26 -0.04 -0.12 -0.60 0.63 0.11 -3.29 116.66 117.62 1psk n ARG 210 Ca -0.17 1.16 -0.21 0.00 -0.92 0.00 0.00 57.85 57.71 1psk n ARG 210 Cb 0.52 -2.23 -0.10 0.00 0.45 0.00 0.00 32.46 31.10 1psk n ARG 210 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1psk n ASN 211 N -4.65 2.01 -3.71 6.15 5.03 -1.26 -5.02 115.26 113.81 1psk n ASN 211 Ca 0.36 0.06 -0.11 0.00 0.87 0.00 0.00 54.58 55.75 1psk n ASN 211 Cb 1.35 -0.52 -0.11 0.00 -1.02 0.00 0.00 39.78 39.47 1psk n ASN 211 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1psk s GLU 212 N -2.46 0.36 0.00 3.52 2.56 -1.21 -5.30 118.70 116.17 1psk s GLU 212 Ca -0.33 0.70 0.13 0.00 0.00 0.00 0.00 54.97 55.46 1psk s GLU 212 Cb 0.10 -0.02 0.10 0.00 2.00 0.00 0.00 34.13 36.32 1psk s GLU 212 CO 0.49 -0.15 0.90 0.00 -0.56 0.00 0.00 175.26 175.95