#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1psk s VAL 2 N 0.00 4.70 -0.05 6.31 0.11 -1.26 -3.93 120.40 126.28 1psk s VAL 2 Ca 0.00 1.97 -0.05 0.00 -2.93 0.00 0.00 61.98 60.97 1psk s VAL 2 Cb 0.00 -4.28 0.01 0.00 -1.53 0.00 0.00 36.38 30.58 1psk s VAL 2 CO 0.00 -0.16 0.15 0.00 -3.33 0.00 0.00 175.10 171.75 1psk s GLN 3 N 3.12 0.21 -0.53 1.54 -2.07 -0.68 -4.96 119.66 116.30 1psk s GLN 3 Ca 0.43 0.14 -0.02 0.00 -1.82 0.00 0.00 55.36 54.09 1psk s GLN 3 Cb -0.15 0.10 0.14 0.00 -1.09 0.00 0.00 33.01 32.00 1psk s GLN 3 CO 0.06 -0.03 0.32 -0.51 -1.32 0.00 0.00 175.29 173.81 1psk s LEU 4 N -0.08 5.10 -0.90 2.60 1.02 -1.26 -0.66 118.68 124.50 1psk s LEU 4 Ca -0.02 -2.57 -0.22 0.00 0.02 0.00 0.00 54.13 51.34 1psk s LEU 4 Cb -0.02 -1.80 0.08 0.00 0.02 0.00 0.00 46.19 44.47 1psk s LEU 4 CO 0.00 -0.41 1.23 -1.58 0.02 0.00 0.00 176.35 175.61 1psk s GLN 5 N 0.34 3.48 0.67 1.70 0.74 -0.90 -3.80 119.66 121.90 1psk s GLN 5 Ca 0.14 -1.24 -0.12 0.00 0.05 0.00 0.00 55.36 54.19 1psk s GLN 5 Cb -0.22 -4.89 -0.00 0.00 1.10 0.00 0.00 33.01 29.00 1psk s GLN 5 CO -0.03 -1.97 1.06 -0.65 -0.55 0.00 0.00 175.29 173.15 1psk s GLN 6 N 3.99 3.03 0.88 1.67 -0.21 -1.26 -3.10 119.66 124.67 1psk s GLN 6 Ca 0.36 1.01 -0.11 0.00 0.02 0.00 0.00 55.36 56.64 1psk s GLN 6 Cb -0.05 -2.00 0.12 0.00 1.00 0.00 0.00 33.01 32.08 1psk s GLN 6 CO -0.04 -1.03 1.10 -1.54 -2.12 0.00 0.00 175.29 171.65 1psk s SER 7 N -3.56 3.47 1.18 5.90 1.04 -1.09 -4.95 113.70 115.70 1psk s SER 7 Ca 0.59 1.73 -0.18 0.00 0.48 0.00 0.00 55.95 58.57 1psk s SER 7 Cb -0.14 -2.37 0.27 0.00 0.10 0.00 0.00 66.02 63.88 1psk s SER 7 CO 0.51 -2.67 1.11 -0.83 0.98 0.00 0.00 173.24 172.33 1psk s GLY 8 N -3.19 1.58 0.63 7.32 0.00 -1.26 -4.55 107.32 107.85 1psk s GLY 8 Ca 0.64 -0.88 -0.18 0.00 0.00 0.00 0.00 44.72 44.30 1psk s GLY 8 CO 0.57 -0.03 1.24 -4.14 0.00 0.00 0.00 173.10 170.74 1psk s PRO 9 N -5.35 2.72 0.01 2.90 0.02 -1.26 -4.67 135.00 129.37 1psk s PRO 9 Ca 0.70 1.89 -0.08 0.00 0.02 0.00 0.00 61.00 63.54 1psk s PRO 9 Cb -0.11 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.52 1psk s PRO 9 CO 0.56 -1.42 0.14 -1.21 -0.33 0.00 0.00 177.00 174.75 1psk s GLU 10 N -3.43 0.51 -0.10 5.54 2.02 -0.33 -4.97 118.70 117.94 1psk s GLU 10 Ca 0.79 -0.43 0.03 0.00 0.02 0.00 0.00 54.97 55.38 1psk s GLU 10 Cb -0.32 0.21 -0.01 0.00 0.10 0.00 0.00 34.13 34.11 1psk s GLU 10 CO 0.37 -0.12 -0.19 -1.17 0.02 0.00 0.00 175.26 174.16 1psk s LEU 11 N -1.47 2.38 -0.02 1.80 2.96 -1.25 -0.25 118.68 122.83 1psk s LEU 11 Ca -0.14 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.32 1psk s LEU 11 Cb -0.07 -1.49 0.00 0.00 0.50 0.00 0.00 46.19 45.13 1psk s LEU 11 CO 0.01 0.19 0.05 0.68 -1.32 0.00 0.00 176.35 175.97 1psk s VAL 12 N 0.16 0.02 0.62 1.68 -7.23 0.87 -4.96 120.40 111.56 1psk s VAL 12 Ca -0.11 -0.15 -0.19 0.00 -1.81 0.00 0.00 61.98 59.73 1psk s VAL 12 Cb -0.16 -0.13 -0.02 0.00 0.56 0.00 0.00 36.38 36.62 1psk s VAL 12 CO 0.06 -0.08 1.25 0.29 -0.31 0.00 0.00 175.10 176.32 1psk n LYS 13 N 2.78 1.20 -2.27 4.82 4.76 -1.26 0.00 118.16 128.20 1psk n LYS 13 Ca -0.14 0.46 -0.33 0.00 -2.87 0.00 0.00 58.31 55.43 1psk n LYS 13 Cb 0.59 -2.48 -0.04 0.00 -1.84 0.00 0.00 35.03 31.26 1psk n LYS 13 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1psk s PRO 14 N -3.17 2.99 0.00 1.97 0.02 -1.26 -1.37 135.00 134.18 1psk s PRO 14 Ca 0.79 -0.57 0.00 0.00 0.02 0.00 0.00 61.00 61.25 1psk s PRO 14 Cb -0.39 -5.11 0.00 0.00 0.02 0.00 0.00 34.50 29.02 1psk s PRO 14 CO 0.43 -2.84 0.00 0.41 -0.33 0.00 0.00 177.00 174.67 1psk n GLY 15 N 6.75 0.73 3.55 0.52 0.00 -0.49 -4.94 105.19 111.32 1psk n GLY 15 Ca 0.35 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.09 1psk n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1psk s ALA 16 N 0.00 -0.04 0.15 4.61 0.00 -0.47 -4.03 121.76 121.99 1psk s ALA 16 Ca 0.00 -0.27 0.11 0.00 0.00 0.00 0.00 51.96 51.80 1psk s ALA 16 Cb 0.00 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1psk s ALA 16 CO 0.00 -3.54 -0.25 0.45 0.00 0.00 0.00 175.76 172.42 1psk s SER 17 N -2.89 3.42 0.02 0.00 0.15 -1.26 -2.93 113.70 110.22 1psk s SER 17 Ca 0.67 -0.78 -0.00 0.00 0.70 0.00 0.00 55.95 56.55 1psk s SER 17 Cb -0.23 -0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 63.80 1psk s SER 17 CO 0.62 0.16 -0.03 0.54 1.20 0.00 0.00 173.24 175.73 1psk s VAL 18 N -1.30 0.12 -0.25 4.45 0.11 -0.32 -5.00 120.40 118.21 1psk s VAL 18 Ca 0.17 -0.97 -0.01 0.00 -2.93 0.00 0.00 61.98 58.24 1psk s VAL 18 Cb -0.09 -0.35 0.08 0.00 -1.53 0.00 0.00 36.38 34.49 1psk s VAL 18 CO 0.08 -0.53 0.04 -0.75 -3.33 0.00 0.00 175.10 170.60 1psk s LYS 19 N -1.62 0.94 0.10 1.54 2.20 -1.26 -0.46 119.74 121.17 1psk s LYS 19 Ca -0.14 -0.84 -0.23 0.00 -0.36 0.00 0.00 55.97 54.39 1psk s LYS 19 Cb -0.09 -2.22 -0.07 0.00 -1.51 0.00 0.00 37.83 33.94 1psk s LYS 19 CO -0.02 -0.76 0.71 0.42 -0.36 0.00 0.00 175.35 175.34 1psk s ILE 20 N 1.63 4.60 0.34 5.43 1.01 -0.74 -4.90 121.20 128.57 1psk s ILE 20 Ca 0.02 1.52 0.05 0.00 0.00 0.00 0.00 60.65 62.25 1psk s ILE 20 Cb -0.18 -4.05 -0.01 0.00 0.01 0.00 0.00 42.46 38.23 1psk s ILE 20 CO -0.14 0.48 0.49 -0.55 0.00 0.00 0.00 174.94 175.22 1psk s SER 21 N -0.77 6.00 -0.48 3.58 0.15 -1.26 -1.97 113.70 118.95 1psk s SER 21 Ca 0.34 -0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.96 1psk s SER 21 Cb -0.21 -1.37 0.21 0.00 -1.71 0.00 0.00 66.02 62.94 1psk s SER 21 CO 0.23 -0.42 0.86 0.00 1.20 0.00 0.00 173.24 175.10 1psk s LYS 23 N 0.79 3.65 0.69 0.00 2.20 -1.18 -2.15 119.74 123.74 1psk s LYS 23 Ca 0.29 0.60 -0.08 0.00 -0.36 0.00 0.00 55.97 56.42 1psk s LYS 23 Cb 0.09 -3.95 0.04 0.00 -1.51 0.00 0.00 37.83 32.50 1psk s LYS 23 CO -0.11 -1.48 1.03 0.95 -0.36 0.00 0.00 175.35 175.38 1psk s THR 24 N 4.78 2.88 0.08 3.43 -4.23 0.13 -2.11 115.64 120.61 1psk s THR 24 Ca 0.50 0.02 -0.26 0.00 -1.18 0.00 0.00 61.69 60.78 1psk s THR 24 Cb -0.09 -3.23 0.08 0.00 1.34 0.00 0.00 72.50 70.60 1psk s THR 24 CO 0.31 -0.27 0.70 -0.44 -0.54 0.00 0.00 174.62 174.39 1psk s SER 25 N -4.43 -0.51 0.00 3.99 0.01 0.17 -4.89 113.70 108.04 1psk s SER 25 Ca 0.58 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.92 1psk s SER 25 Cb -0.11 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.65 1psk s SER 25 CO 0.47 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.92 1psk n GLY 26 N -0.18 0.46 3.40 3.44 0.00 -1.25 -1.69 105.19 109.37 1psk n GLY 26 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 1psk n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1psk s TYR 27 N -2.08 -0.38 -0.63 1.61 1.13 -1.26 -4.51 117.35 111.24 1psk s TYR 27 Ca 0.00 0.11 -0.26 0.00 -1.41 0.00 0.00 57.07 55.51 1psk s TYR 27 Cb 0.00 0.44 -0.09 0.00 -1.10 0.00 0.00 41.96 41.22 1psk s TYR 27 CO 0.00 -0.81 2.33 0.99 -2.51 0.00 0.00 175.55 175.54 1psk s THR 28 N -3.78 3.07 0.17 -3.49 2.01 -1.26 -4.83 115.64 107.52 1psk s THR 28 Ca 0.03 -0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.76 1psk s THR 28 Cb -0.00 -3.17 0.03 0.00 0.01 0.00 0.00 72.50 69.36 1psk s THR 28 CO -0.11 -0.17 1.56 0.15 -0.69 0.00 0.00 174.62 175.37 1psk h PHE 29 N 16.40 -1.34 0.00 4.92 3.57 -1.98 -2.46 116.94 136.04 1psk h PHE 29 Ca -0.14 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1psk h PHE 29 Cb 1.15 0.67 0.00 0.00 2.79 0.00 0.00 35.95 40.57 1psk h PHE 29 CO 1.05 -0.42 0.00 1.79 -2.23 0.00 0.00 178.31 178.50 1psk h THR 30 N -0.21 0.00 0.00 4.41 1.35 -1.88 -3.22 112.91 113.36 1psk h THR 30 Ca 0.18 -0.35 -0.07 0.00 -0.55 0.00 0.00 66.41 65.62 1psk h THR 30 Cb 0.56 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 1psk h THR 30 CO -0.71 0.00 -0.32 0.11 -0.25 0.00 0.00 175.52 174.35 1psk h LYS 31 N 0.00 0.00 -6.26 4.72 1.57 -1.80 -3.44 116.57 111.36 1psk h LYS 31 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 1psk h LYS 31 Cb 0.48 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.61 1psk h LYS 31 CO 0.00 0.32 -0.80 0.71 -0.57 0.00 0.00 179.45 179.11 1psk s TYR 32 N -3.66 2.08 0.03 -1.35 2.02 -1.22 -5.09 117.35 110.18 1psk s TYR 32 Ca 0.00 -0.41 -0.26 0.00 -0.37 0.00 0.00 57.07 56.04 1psk s TYR 32 Cb 0.11 -1.02 -0.05 0.00 -0.40 0.00 0.00 41.96 40.60 1psk s TYR 32 CO 0.67 0.45 0.79 0.99 -1.57 0.00 0.00 175.55 176.88 1psk s THR 33 N -1.95 4.76 -0.11 -0.71 2.01 -1.26 -4.44 115.64 113.95 1psk s THR 33 Ca 0.20 1.67 -0.20 0.00 0.31 0.00 0.00 61.69 63.66 1psk s THR 33 Cb -0.07 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 1psk s THR 33 CO 0.09 0.33 0.58 -0.32 -0.69 0.00 0.00 174.62 174.61 1psk s MET 34 N 0.13 4.36 0.25 4.92 1.75 -0.92 -4.42 119.30 125.37 1psk s MET 34 Ca 0.40 0.63 0.10 0.00 -1.25 0.00 0.00 55.69 55.57 1psk s MET 34 Cb -0.20 -3.46 -0.04 0.00 2.84 0.00 0.00 34.83 33.96 1psk s MET 34 CO 0.23 0.07 -0.03 -1.01 -0.65 0.00 0.00 175.02 173.63 1psk s HIS 35 N 0.85 2.66 -0.09 4.11 3.76 0.35 -1.78 115.29 125.14 1psk s HIS 35 Ca 0.31 -0.23 0.01 0.00 -0.15 0.00 0.00 55.06 55.00 1psk s HIS 35 Cb -0.16 -1.20 0.02 0.00 1.11 0.00 0.00 32.58 32.35 1psk s HIS 35 CO 0.13 0.61 -0.09 -1.58 -0.85 0.00 0.00 174.74 172.96 1psk s TRP 36 N -2.22 1.44 -0.01 1.40 0.52 -0.87 -0.47 118.94 118.73 1psk s TRP 36 Ca 0.30 -0.64 0.05 0.00 0.02 0.00 0.00 56.10 55.83 1psk s TRP 36 Cb -0.07 -1.14 -0.03 0.00 -1.15 0.00 0.00 33.47 31.08 1psk s TRP 36 CO 0.19 -0.40 -0.15 0.08 0.02 0.00 0.00 176.95 176.68 1psk s VAL 37 N 1.25 3.00 -0.20 4.03 1.01 0.57 -1.36 120.40 128.71 1psk s VAL 37 Ca -0.04 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 1psk s VAL 37 Cb -0.14 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1psk s VAL 37 CO -0.03 0.48 0.08 -0.75 0.00 0.00 0.00 175.10 174.88 1psk s LYS 38 N -1.04 3.97 -0.46 2.72 2.20 0.93 -1.22 119.74 126.85 1psk s LYS 38 Ca 0.13 -0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.41 1psk s LYS 38 Cb -0.11 -3.28 0.12 0.00 -1.51 0.00 0.00 37.83 33.06 1psk s LYS 38 CO 0.03 0.21 0.23 -1.14 -0.36 0.00 0.00 175.35 174.31 1psk s GLN 39 N 0.56 1.99 0.76 4.03 2.00 0.13 0.07 119.66 129.19 1psk s GLN 39 Ca 0.04 -2.15 -0.11 0.00 -2.00 0.00 0.00 55.36 51.14 1psk s GLN 39 Cb -0.13 -3.47 0.04 0.00 0.80 0.00 0.00 33.01 30.26 1psk s GLN 39 CO 0.01 -1.07 1.09 0.45 -0.50 0.00 0.00 175.29 175.27 1psk s SER 40 N 0.93 4.91 0.00 6.67 0.15 0.04 -1.35 113.70 125.06 1psk s SER 40 Ca 0.13 1.28 0.00 0.00 0.70 0.00 0.00 55.95 58.06 1psk s SER 40 Cb -0.22 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 1psk s SER 40 CO -0.04 -1.70 0.00 0.00 1.20 0.00 0.00 173.24 172.70 1psk n HIS 41 N -3.26 0.00 -3.65 3.44 -0.00 -1.26 -3.77 115.22 106.73 1psk n HIS 41 Ca 0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.74 1psk n HIS 41 Cb 0.56 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.49 1psk n HIS 41 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1psk s GLY 42 N 0.00 -0.65 0.00 -1.39 0.00 -1.26 -4.94 107.32 99.08 1psk s GLY 42 Ca 0.00 2.36 0.00 0.00 0.00 0.00 0.00 44.72 47.08 1psk s GLY 42 CO 0.00 2.60 0.00 0.28 0.00 0.00 0.00 173.10 175.98 1psk n LYS 43 N 4.70 -0.50 -3.29 2.90 5.02 -1.26 -4.92 118.16 120.80 1psk n LYS 43 Ca -0.17 0.13 -0.46 0.00 -2.02 0.00 0.00 58.31 55.78 1psk n LYS 43 Cb 0.56 -4.31 -0.02 0.00 -0.02 0.00 0.00 35.03 31.23 1psk n LYS 43 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1psk s SER 44 N -2.12 6.90 -0.20 4.39 0.01 -1.25 -5.00 113.70 116.43 1psk s SER 44 Ca 0.00 -2.87 -0.18 0.00 1.31 0.00 0.00 55.95 54.21 1psk s SER 44 Cb 0.00 -2.23 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 1psk s SER 44 CO 0.00 -0.54 0.51 -0.76 0.41 0.00 0.00 173.24 172.86 1psk s LEU 45 N 0.03 4.15 -0.06 2.44 1.43 -1.25 -0.78 118.68 124.64 1psk s LEU 45 Ca 0.23 0.67 0.04 0.00 -1.03 0.00 0.00 54.13 54.03 1psk s LEU 45 Cb -0.09 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.43 1psk s LEU 45 CO -0.09 -0.18 -0.17 -1.61 0.23 0.00 0.00 176.35 174.54 1psk s GLU 46 N 1.62 1.99 -0.44 1.70 2.02 0.11 -4.91 118.70 120.79 1psk s GLU 46 Ca 0.24 -0.59 -0.29 0.00 0.02 0.00 0.00 54.97 54.34 1psk s GLU 46 Cb -0.15 -1.64 0.02 0.00 0.10 0.00 0.00 34.13 32.46 1psk s GLU 46 CO 0.10 0.16 1.19 -0.46 0.02 0.00 0.00 175.26 176.27 1psk s TRP 47 N 0.30 2.76 -0.05 1.61 -0.00 -1.26 -0.05 118.94 122.25 1psk s TRP 47 Ca -0.10 0.75 -0.24 0.00 -0.00 0.00 0.00 56.10 56.51 1psk s TRP 47 Cb -0.14 -4.33 -0.23 0.00 -0.00 0.00 0.00 33.47 28.76 1psk s TRP 47 CO 0.04 -1.39 1.03 0.82 -0.00 0.00 0.00 176.95 177.45 1psk h ILE 48 N 6.23 1.54 0.00 5.86 2.04 -1.58 -3.42 117.51 128.18 1psk h ILE 48 Ca -0.24 -1.94 0.00 0.00 1.00 0.00 0.00 64.86 63.68 1psk h ILE 48 Cb 1.07 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.91 1psk h ILE 48 CO 1.11 0.53 0.00 0.61 0.00 0.00 0.00 178.15 180.40 1psk n GLY 49 N 1.04 -0.92 3.63 5.37 0.00 -1.23 -1.15 105.19 111.94 1psk n GLY 49 Ca -0.10 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 1psk n GLY 49 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1psk s ASP 50 N -4.00 -0.01 -0.02 1.61 1.47 -0.11 -2.06 116.67 113.55 1psk s ASP 50 Ca 0.00 -0.95 -0.12 0.00 1.18 0.00 0.00 52.55 52.66 1psk s ASP 50 Cb 0.00 0.63 0.02 0.00 -0.34 0.00 0.00 42.92 43.23 1psk s ASP 50 CO 0.00 -1.22 0.26 -0.51 0.68 0.00 0.00 175.17 174.38 1psk s ILE 51 N -3.80 0.06 -0.36 2.11 2.07 -0.73 -2.42 121.20 118.12 1psk s ILE 51 Ca 0.21 -0.46 -0.11 0.00 -1.41 0.00 0.00 60.65 58.88 1psk s ILE 51 Cb -0.02 -0.54 0.02 0.00 0.13 0.00 0.00 42.46 42.05 1psk s ILE 51 CO 0.10 -0.25 0.19 0.21 -1.91 0.00 0.00 174.94 173.28 1psk s ASN 52 N -1.13 5.68 0.41 4.50 3.84 0.86 -2.16 114.94 126.94 1psk s ASN 52 Ca -0.12 -0.88 -0.25 0.00 0.21 0.00 0.00 52.86 51.82 1psk s ASN 52 Cb -0.05 -2.02 -0.11 0.00 -0.55 0.00 0.00 41.25 38.52 1psk s ASN 52 CO 0.03 -0.34 0.99 -2.65 -2.79 0.00 0.00 177.10 172.34 1psk n PRO 53 N 4.99 1.32 0.00 0.43 -0.02 -1.26 0.10 135.00 140.56 1psk n PRO 53 Ca -0.12 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1psk n PRO 53 Cb 0.47 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1psk n PRO 53 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1psk n ASN 54 N 0.61 0.00 0.02 2.55 5.15 -1.26 -4.37 115.26 117.95 1psk n ASN 54 Ca 0.09 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.21 1psk n ASN 54 Cb 0.38 0.00 0.45 0.00 -0.53 0.00 0.00 39.78 40.09 1psk n ASN 54 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1psk n ASN 55 N 2.47 0.29 -1.49 1.20 3.02 -1.14 -4.94 115.26 114.66 1psk n ASN 55 Ca 0.00 0.26 -0.13 0.00 -0.03 0.00 0.00 54.58 54.69 1psk n ASN 55 Cb 0.00 -0.26 -0.05 0.00 -0.61 0.00 0.00 39.78 38.86 1psk n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1psk n GLY 56 N 1.47 1.00 3.67 7.41 0.00 0.28 -4.92 105.19 114.10 1psk n GLY 56 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1psk n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1psk s GLY 57 N -2.07 1.87 0.30 -0.02 0.00 -1.14 -4.72 107.32 101.55 1psk s GLY 57 Ca 0.00 0.44 0.07 0.00 0.00 0.00 0.00 44.72 45.22 1psk s GLY 57 CO 0.00 2.28 0.34 -0.51 0.00 0.00 0.00 173.10 175.21 1psk s THR 58 N 2.89 4.27 -0.28 0.90 -4.23 -1.26 -0.10 115.64 117.82 1psk s THR 58 Ca 0.52 -1.18 -0.05 0.00 -1.18 0.00 0.00 61.69 59.80 1psk s THR 58 Cb -0.21 -3.45 0.15 0.00 1.34 0.00 0.00 72.50 70.33 1psk s THR 58 CO 0.15 -0.24 0.55 0.21 -0.54 0.00 0.00 174.62 174.76 1psk s ASN 59 N -4.01 -0.89 0.21 3.99 2.47 -1.02 -4.99 114.94 110.71 1psk s ASN 59 Ca 0.39 1.00 0.08 0.00 0.42 0.00 0.00 52.86 54.75 1psk s ASN 59 Cb -0.08 1.92 -0.04 0.00 -1.45 0.00 0.00 41.25 41.60 1psk s ASN 59 CO 0.28 -0.25 -0.01 -0.31 -3.72 0.00 0.00 177.10 173.09 1psk s TYR 60 N 2.78 2.76 0.09 0.43 2.02 -1.26 -0.93 117.35 123.24 1psk s TYR 60 Ca 0.08 -0.18 -0.30 0.00 -0.37 0.00 0.00 57.07 56.30 1psk s TYR 60 Cb -0.14 -1.29 -0.05 0.00 -0.40 0.00 0.00 41.96 40.07 1psk s TYR 60 CO -0.18 0.55 0.99 1.21 -1.57 0.00 0.00 175.55 176.55 1psk s ASN 61 N -3.21 7.42 0.43 2.29 3.84 -0.30 -4.92 114.94 120.50 1psk s ASN 61 Ca 0.28 1.81 0.22 0.00 0.21 0.00 0.00 52.86 55.38 1psk s ASN 61 Cb -0.08 -2.59 1.19 0.00 -0.55 0.00 0.00 41.25 39.22 1psk s ASN 61 CO 0.19 -0.15 1.79 0.06 -2.79 0.00 0.00 177.10 176.20 1psk h GLN 62 N 5.85 0.30 -0.28 0.43 -0.00 -1.95 -1.63 115.11 117.84 1psk h GLN 62 Ca -0.43 -0.02 -0.07 0.00 -0.00 0.00 0.00 58.65 58.13 1psk h GLN 62 Cb 1.21 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.48 28.61 1psk h GLN 62 CO 0.73 0.20 -0.14 -0.22 -0.00 0.00 0.00 178.83 179.40 1psk h LYS 63 N 0.31 0.49 -0.16 0.06 3.64 -1.94 -3.22 116.57 115.76 1psk h LYS 63 Ca 0.57 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1psk h LYS 63 Cb 1.59 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 1psk h LYS 63 CO -0.22 0.62 0.00 1.19 -2.27 0.00 0.00 179.45 178.77 1psk n PHE 64 N -4.19 0.18 -2.29 1.91 3.01 -0.63 -4.92 117.46 110.53 1psk n PHE 64 Ca 0.00 -0.09 -0.38 0.00 1.01 0.00 0.00 57.45 57.99 1psk n PHE 64 Cb 0.33 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.79 1psk n PHE 64 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1psk s LYS 65 N -1.82 4.00 0.00 -1.08 2.20 -1.13 -0.59 119.74 121.31 1psk s LYS 65 Ca 0.33 1.83 0.00 0.00 -0.36 0.00 0.00 55.97 57.77 1psk s LYS 65 Cb 0.21 -2.62 0.00 0.00 -1.51 0.00 0.00 37.83 33.90 1psk s LYS 65 CO 0.31 -0.36 0.00 0.41 -0.36 0.00 0.00 175.35 175.35 1psk n GLY 66 N 0.59 2.76 0.14 5.54 0.00 -1.26 -4.61 105.19 108.35 1psk n GLY 66 Ca 0.05 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 1psk n GLY 66 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1psk h THR 67 N 0.00 1.04 -3.23 2.61 1.35 -1.83 -3.45 112.91 109.39 1psk h THR 67 Ca 0.00 -2.61 -0.57 0.00 -0.55 0.00 0.00 66.41 62.68 1psk h THR 67 Cb 0.00 2.80 -0.04 0.00 -1.73 0.00 0.00 68.15 69.18 1psk h THR 67 CO 0.00 0.84 -0.07 0.00 -0.25 0.00 0.00 175.52 176.04 1psk s ALA 68 N -2.59 3.60 -0.34 6.62 0.00 0.24 -2.26 121.76 127.02 1psk s ALA 68 Ca -0.13 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.80 1psk s ALA 68 Cb 0.06 -2.57 0.15 0.00 0.00 0.00 0.00 23.12 20.75 1psk s ALA 68 CO 0.87 0.43 0.32 0.99 0.00 0.00 0.00 175.76 178.36 1psk s THR 69 N -1.21 -0.27 -0.01 0.00 2.01 -0.72 -4.80 115.64 110.64 1psk s THR 69 Ca 0.31 -0.95 -0.26 0.00 0.31 0.00 0.00 61.69 61.09 1psk s THR 69 Cb -0.18 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 1psk s THR 69 CO 0.18 -0.62 0.83 -0.76 -0.69 0.00 0.00 174.62 173.56 1psk s LEU 70 N 1.65 4.37 0.18 4.42 1.43 -1.26 -2.03 118.68 127.43 1psk s LEU 70 Ca 0.15 1.44 -0.02 0.00 -1.03 0.00 0.00 54.13 54.67 1psk s LEU 70 Cb -0.16 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 1psk s LEU 70 CO -0.12 -0.15 0.13 0.42 0.23 0.00 0.00 176.35 176.86 1psk s THR 71 N 0.70 0.04 0.14 5.49 -4.23 -1.01 -4.98 115.64 111.79 1psk s THR 71 Ca 0.44 -1.92 -0.05 0.00 -1.18 0.00 0.00 61.69 58.98 1psk s THR 71 Cb -0.20 -2.30 -0.02 0.00 1.34 0.00 0.00 72.50 71.32 1psk s THR 71 CO 0.23 -0.18 0.16 0.54 -0.54 0.00 0.00 174.62 174.84 1psk s VAL 72 N -4.11 0.10 -0.42 2.29 0.11 -1.26 -1.20 120.40 115.91 1psk s VAL 72 Ca 0.32 -1.63 0.02 0.00 -2.93 0.00 0.00 61.98 57.76 1psk s VAL 72 Cb 0.07 -1.88 0.14 0.00 -1.53 0.00 0.00 36.38 33.17 1psk s VAL 72 CO 0.08 -0.43 0.23 -1.00 -3.33 0.00 0.00 175.10 170.65 1psk s HIS 73 N -3.99 1.75 0.45 1.54 3.76 0.32 -4.98 115.29 114.13 1psk s HIS 73 Ca 0.19 -2.28 0.20 0.00 -0.15 0.00 0.00 55.06 53.02 1psk s HIS 73 Cb 0.05 -1.71 1.16 0.00 1.11 0.00 0.00 32.58 33.20 1psk s HIS 73 CO -0.00 -0.79 1.89 -0.22 -0.85 0.00 0.00 174.74 174.77 1psk h LYS 74 N 6.78 0.30 -0.08 1.40 3.64 -1.96 0.52 116.57 127.17 1psk h LYS 74 Ca 0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1psk h LYS 74 Cb 0.94 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 1psk h LYS 74 CO 0.44 0.20 -0.08 0.77 -2.27 0.00 0.00 179.45 178.51 1psk h SER 75 N 0.31 0.21 -0.35 4.20 0.02 -1.95 -3.14 113.55 112.85 1psk h SER 75 Ca 0.41 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1psk h SER 75 Cb 1.13 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1psk h SER 75 CO -0.12 0.65 0.00 -1.54 -1.14 0.00 0.00 176.83 174.68 1psk n SER 76 N -4.69 2.31 -4.23 3.07 3.41 -0.98 -4.93 113.62 107.58 1psk n SER 76 Ca -0.07 -1.90 -0.32 0.00 -0.26 0.00 0.00 58.87 56.31 1psk n SER 76 Cb 0.31 -0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 63.97 1psk n SER 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1psk n THR 77 N 0.75 -1.43 -4.90 6.66 -2.24 0.14 -4.67 114.28 108.58 1psk n THR 77 Ca 0.16 -0.31 -0.30 0.00 -2.27 0.00 0.00 64.05 61.33 1psk n THR 77 Cb 0.39 -1.53 -0.17 0.00 -2.10 0.00 0.00 70.33 66.92 1psk n THR 77 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1psk s THR 78 N -3.85 1.73 0.31 4.28 2.01 -0.99 -0.69 115.64 118.45 1psk s THR 78 Ca 0.30 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.48 1psk s THR 78 Cb -0.17 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1psk s THR 78 CO 0.96 0.49 0.51 0.00 -0.69 0.00 0.00 174.62 175.89 1psk s ALA 79 N 0.55 3.73 0.03 7.40 0.00 -0.92 -0.52 121.76 132.03 1psk s ALA 79 Ca -0.15 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 1psk s ALA 79 Cb -0.17 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.84 1psk s ALA 79 CO 0.05 0.10 -0.02 0.71 0.00 0.00 0.00 175.76 176.60 1psk s TYR 80 N -2.20 0.32 -0.14 0.00 2.02 -0.34 -2.19 117.35 114.82 1psk s TYR 80 Ca 0.40 -0.67 -0.04 0.00 -0.37 0.00 0.00 57.07 56.39 1psk s TYR 80 Cb -0.10 -0.24 0.06 0.00 -0.40 0.00 0.00 41.96 41.28 1psk s TYR 80 CO 0.34 -0.26 0.13 1.41 -1.57 0.00 0.00 175.55 175.60 1psk s MET 81 N -2.24 0.06 -0.20 -0.62 -2.45 -0.83 -2.39 119.30 110.62 1psk s MET 81 Ca -0.09 0.17 -0.13 0.00 -1.25 0.00 0.00 55.69 54.40 1psk s MET 81 Cb -0.04 -1.20 -0.05 0.00 1.25 0.00 0.00 34.83 34.79 1psk s MET 81 CO -0.04 -0.55 0.26 -2.00 1.05 0.00 0.00 175.02 173.74 1psk s GLU 82 N 2.21 4.18 -0.26 4.11 2.12 -0.86 -1.80 118.70 128.41 1psk s GLU 82 Ca 0.04 -0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.34 1psk s GLU 82 Cb -0.15 -3.48 0.04 0.00 0.26 0.00 0.00 34.13 30.80 1psk s GLU 82 CO -0.08 0.13 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.18 1psk s LEU 83 N 0.83 3.34 0.31 2.70 1.43 0.39 -1.75 118.68 125.93 1psk s LEU 83 Ca 0.13 -1.13 0.08 0.00 -1.03 0.00 0.00 54.13 52.18 1psk s LEU 83 Cb -0.13 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 1psk s LEU 83 CO 0.04 -0.17 0.22 0.00 0.23 0.00 0.00 176.35 176.67 1psk s ARG 84 N 1.22 2.70 -1.24 1.70 1.70 -0.96 -1.17 118.95 122.90 1psk s ARG 84 Ca -0.04 -1.27 -0.07 0.00 -0.47 0.00 0.00 55.73 53.88 1psk s ARG 84 Cb -0.18 -2.43 -0.01 0.00 -0.57 0.00 0.00 34.95 31.75 1psk s ARG 84 CO -0.05 0.20 0.73 0.43 -1.08 0.00 0.00 175.30 175.53 1psk n SER 85 N -1.25 -2.92 -4.77 -2.89 7.64 -1.23 -4.72 113.62 103.47 1psk n SER 85 Ca -0.04 -0.88 -0.38 0.00 1.01 0.00 0.00 58.87 58.58 1psk n SER 85 Cb 0.59 -3.91 -0.03 0.00 -1.01 0.00 0.00 64.21 59.85 1psk n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1psk s LEU 86 N -6.49 4.27 0.35 -3.43 1.43 -1.15 -4.84 118.68 108.82 1psk s LEU 86 Ca 0.19 2.22 0.03 0.00 -1.03 0.00 0.00 54.13 55.55 1psk s LEU 86 Cb -0.06 -3.98 -0.04 0.00 0.03 0.00 0.00 46.19 42.15 1psk s LEU 86 CO 0.82 -0.48 0.12 0.42 0.23 0.00 0.00 176.35 177.47 1psk s THR 87 N -1.44 0.65 0.55 5.49 -4.23 -1.26 -1.40 115.64 114.01 1psk s THR 87 Ca 0.54 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.29 1psk s THR 87 Cb -0.28 -2.51 0.31 0.00 1.34 0.00 0.00 72.50 71.36 1psk s THR 87 CO 0.35 0.00 2.19 0.28 -0.54 0.00 0.00 174.62 176.91 1psk h SER 88 N 2.02 0.00 0.39 3.99 0.02 -1.97 0.58 113.55 118.58 1psk h SER 88 Ca -0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1psk h SER 88 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1psk h SER 88 CO 0.59 0.02 0.00 -0.62 -1.14 0.00 0.00 176.83 175.67 1psk n GLU 89 N -4.09 0.20 -0.28 3.45 4.71 -1.26 -2.29 120.64 121.08 1psk n GLU 89 Ca -0.03 0.14 0.12 0.00 -0.01 0.00 0.00 57.16 57.38 1psk n GLU 89 Cb 0.10 -1.50 0.27 0.00 -1.01 0.00 0.00 31.44 29.30 1psk n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1psk n ASP 90 N -1.33 3.73 -4.65 1.62 8.00 0.20 -4.90 116.55 119.21 1psk n ASP 90 Ca 0.07 -2.00 -0.42 0.00 0.71 0.00 0.00 54.79 53.16 1psk n ASP 90 Cb 0.16 -0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 40.85 1psk n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1psk s SER 91 N -1.25 6.94 0.00 -2.24 0.01 -0.97 -4.88 113.70 111.31 1psk s SER 91 Ca 0.44 1.17 -0.02 0.00 1.31 0.00 0.00 55.95 58.85 1psk s SER 91 Cb 0.24 -2.47 0.01 0.00 0.21 0.00 0.00 66.02 64.01 1psk s SER 91 CO 0.33 -0.54 0.07 0.00 0.41 0.00 0.00 173.24 173.52 1psk n ALA 92 N 5.93 -0.20 -2.79 1.44 0.00 -0.93 -4.72 120.51 119.23 1psk n ALA 92 Ca 0.07 -0.05 -0.35 0.00 0.00 0.00 0.00 53.44 53.11 1psk n ALA 92 Cb 0.47 0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.85 1psk n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1psk s VAL 93 N -2.26 4.60 -0.19 0.00 1.01 -0.45 -1.33 120.40 121.78 1psk s VAL 93 Ca 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 1psk s VAL 93 Cb -0.00 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.38 1psk s VAL 93 CO 0.00 0.54 -0.15 -0.31 0.00 0.00 0.00 175.10 175.18 1psk s TYR 94 N -0.29 2.83 0.18 5.22 2.02 0.35 0.21 117.35 127.87 1psk s TYR 94 Ca 0.07 -1.35 0.08 0.00 -0.37 0.00 0.00 57.07 55.51 1psk s TYR 94 Cb -0.12 -1.96 -0.04 0.00 -0.40 0.00 0.00 41.96 39.43 1psk s TYR 94 CO 0.02 -0.68 -0.05 0.71 -1.57 0.00 0.00 175.55 173.98 1psk s TYR 95 N 1.26 2.74 0.02 2.71 2.02 -0.36 -0.80 117.35 124.94 1psk s TYR 95 Ca 0.03 -0.18 0.07 0.00 -0.37 0.00 0.00 57.07 56.62 1psk s TYR 95 Cb -0.14 -1.33 -0.03 0.00 -0.40 0.00 0.00 41.96 40.07 1psk s TYR 95 CO -0.08 0.52 -0.19 0.00 -1.57 0.00 0.00 175.55 174.23 1psk s THR 97 N -0.86 0.74 0.34 0.00 2.01 0.39 -0.06 115.64 118.19 1psk s THR 97 Ca 0.13 -1.15 0.05 0.00 0.31 0.00 0.00 61.69 61.03 1psk s THR 97 Cb -0.10 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.62 1psk s THR 97 CO 0.04 -0.32 0.34 -0.55 -0.69 0.00 0.00 174.62 173.43 1psk s SER 98 N -1.63 1.49 -1.22 3.53 0.15 0.42 -0.50 113.70 115.95 1psk s SER 98 Ca -0.07 -1.69 -0.27 0.00 0.70 0.00 0.00 55.95 54.61 1psk s SER 98 Cb -0.10 0.59 0.02 0.00 -1.71 0.00 0.00 66.02 64.83 1psk s SER 98 CO 0.01 -1.13 0.67 1.17 1.20 0.00 0.00 173.24 175.15 1psk n LYS 99 N -0.61 -0.71 -3.78 5.44 4.81 -1.26 -0.95 118.16 121.09 1psk n LYS 99 Ca 0.06 0.21 -0.23 0.00 -0.87 0.00 0.00 58.31 57.47 1psk n LYS 99 Cb 0.62 -3.16 0.02 0.00 0.02 0.00 0.00 35.03 32.53 1psk n LYS 99 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1psk n SER 100 N -2.39 -1.31 -0.96 3.14 7.64 -1.26 -1.99 113.62 116.49 1psk n SER 100 Ca -0.13 -0.86 -0.11 0.00 1.01 0.00 0.00 58.87 58.78 1psk n SER 100 Cb 0.58 -3.80 -0.04 0.00 -1.01 0.00 0.00 64.21 59.95 1psk n SER 100 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1psk n PHE 101 N -4.34 -0.14 0.01 1.43 3.72 -0.86 -4.92 117.46 112.36 1psk n PHE 101 Ca -0.27 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 56.95 1psk n PHE 101 Cb 0.66 -2.22 -0.14 0.00 -0.94 0.00 0.00 39.48 36.85 1psk n PHE 101 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1psk h ASP 102 N 0.00 0.34 -3.40 4.37 3.58 -0.40 -3.45 116.42 117.46 1psk h ASP 102 Ca -0.24 -0.72 -0.63 0.00 0.42 0.00 0.00 57.03 55.86 1psk h ASP 102 Cb 0.85 -0.11 -0.20 0.00 1.72 0.00 0.00 39.33 41.59 1psk h ASP 102 CO 0.33 1.64 -0.61 -0.31 -2.88 0.00 0.00 179.24 177.41 1psk s TYR 103 N -2.57 3.13 0.18 0.28 2.02 -0.65 -4.97 117.35 114.77 1psk s TYR 103 Ca -0.17 -0.19 0.11 0.00 -0.37 0.00 0.00 57.07 56.45 1psk s TYR 103 Cb 0.07 -2.09 -0.04 0.00 -0.40 0.00 0.00 41.96 39.49 1psk s TYR 103 CO 0.80 -0.06 -0.21 -1.58 -1.57 0.00 0.00 175.55 172.93 1psk s TRP 104 N 0.75 2.39 0.63 2.71 0.52 -1.26 -0.44 118.94 124.24 1psk s TRP 104 Ca 0.02 -0.33 -0.10 0.00 0.02 0.00 0.00 56.10 55.72 1psk s TRP 104 Cb -0.14 -1.19 -0.01 0.00 -1.15 0.00 0.00 33.47 30.98 1psk s TRP 104 CO 0.02 0.48 1.00 0.20 0.02 0.00 0.00 176.95 178.68 1psk s GLY 105 N -2.62 1.62 0.55 0.98 0.00 0.91 -4.66 107.32 104.10 1psk s GLY 105 Ca 0.21 -0.34 0.29 0.00 0.00 0.00 0.00 44.72 44.88 1psk s GLY 105 CO 0.11 -0.04 2.13 0.06 0.00 0.00 0.00 173.10 175.35 1psk h GLN 106 N -0.36 0.00 0.00 2.90 3.07 -1.90 -3.44 115.11 115.38 1psk h GLN 106 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 1psk h GLN 106 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.79 1psk h GLN 106 CO 0.62 0.08 0.00 0.41 0.09 0.00 0.00 178.83 180.03 1psk n GLY 107 N -0.83 2.21 3.07 0.06 0.00 -1.26 -5.04 105.19 103.41 1psk n GLY 107 Ca -0.02 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.06 1psk n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1psk s THR 108 N -1.29 1.88 -0.15 2.61 2.01 0.02 -4.88 115.64 115.84 1psk s THR 108 Ca 0.00 -0.90 -0.20 0.00 0.31 0.00 0.00 61.69 60.90 1psk s THR 108 Cb 0.00 -1.76 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 1psk s THR 108 CO 0.00 0.44 0.59 -0.89 -0.69 0.00 0.00 174.62 174.07 1psk s THR 109 N 1.35 5.08 -0.06 -0.82 2.01 -1.26 -0.50 115.64 121.44 1psk s THR 109 Ca 0.03 1.14 0.04 0.00 0.31 0.00 0.00 61.69 63.22 1psk s THR 109 Cb -0.14 -3.91 -0.00 0.00 0.01 0.00 0.00 72.50 68.46 1psk s THR 109 CO -0.11 0.21 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.61 1psk s LEU 110 N 1.31 1.93 -0.13 4.42 2.96 -0.44 -1.18 118.68 127.55 1psk s LEU 110 Ca 0.29 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1psk s LEU 110 Cb -0.16 -1.09 0.01 0.00 0.50 0.00 0.00 46.19 45.46 1psk s LEU 110 CO 0.12 0.15 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.22 1psk s THR 111 N 0.14 1.84 -0.31 3.68 2.01 0.65 -2.19 115.64 121.46 1psk s THR 111 Ca -0.08 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 61.01 1psk s THR 111 Cb -0.14 -1.64 0.01 0.00 0.01 0.00 0.00 72.50 70.75 1psk s THR 111 CO 0.04 0.51 0.10 -0.69 -0.69 0.00 0.00 174.62 173.88 1psk s VAL 112 N 0.91 4.03 -0.14 3.82 1.01 -1.26 -0.09 120.40 128.68 1psk s VAL 112 Ca -0.06 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 1psk s VAL 112 Cb -0.15 -3.13 0.13 0.00 0.00 0.00 0.00 36.38 33.23 1psk s VAL 112 CO -0.02 0.01 1.02 -0.55 0.00 0.00 0.00 175.10 175.56 1psk s SER 113 N 1.50 -0.32 0.21 3.32 0.15 0.10 -4.43 113.70 114.23 1psk s SER 113 Ca 0.02 0.23 0.24 0.00 0.70 0.00 0.00 55.95 57.14 1psk s SER 113 Cb -0.18 0.28 0.46 0.00 -1.71 0.00 0.00 66.02 64.87 1psk s SER 113 CO 0.03 -0.37 1.48 0.28 1.20 0.00 0.00 173.24 175.86 1psk h SER 114 N 2.32 0.00 -2.15 5.45 0.02 -1.94 -3.36 113.55 113.88 1psk h SER 114 Ca -0.17 -0.08 -0.62 0.00 -0.84 0.00 0.00 61.79 60.08 1psk h SER 114 Cb 1.18 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.79 1psk h SER 114 CO 0.29 0.04 0.61 0.00 -1.14 0.00 0.00 176.83 176.64 1psk n ALA 115 N -1.90 0.45 -1.79 3.77 0.00 -1.26 -4.94 120.51 114.85 1psk n ALA 115 Ca 0.04 0.46 -0.36 0.00 0.00 0.00 0.00 53.44 53.58 1psk n ALA 115 Cb 0.46 -2.23 -0.04 0.00 0.00 0.00 0.00 19.45 17.65 1psk n ALA 115 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1psk s LYS 116 N 0.40 4.14 0.83 0.00 1.02 -1.26 -5.00 119.74 119.87 1psk s LYS 116 Ca 0.78 1.45 -0.12 0.00 0.02 0.00 0.00 55.97 58.10 1psk s LYS 116 Cb -0.77 -2.47 0.10 0.00 -0.52 0.00 0.00 37.83 34.17 1psk s LYS 116 CO 0.44 -0.15 1.18 0.99 -0.92 0.00 0.00 175.35 176.89 1psk s THR 117 N -1.74 2.15 -0.21 2.17 2.01 -1.26 -4.56 115.64 114.20 1psk s THR 117 Ca 0.59 0.06 -0.17 0.00 0.31 0.00 0.00 61.69 62.48 1psk s THR 117 Cb -0.20 -2.36 0.06 0.00 0.01 0.00 0.00 72.50 70.01 1psk s THR 117 CO 0.25 -0.05 0.55 -0.89 -0.69 0.00 0.00 174.62 173.79 1psk s THR 118 N -2.33 -0.01 0.20 -0.82 2.01 -1.26 -4.83 115.64 108.59 1psk s THR 118 Ca 0.71 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.42 1psk s THR 118 Cb -0.26 -0.78 -0.08 0.00 0.01 0.00 0.00 72.50 71.39 1psk s THR 118 CO 0.52 0.01 0.97 0.00 -0.69 0.00 0.00 174.62 175.43 1psk s ALA 119 N 0.76 3.32 0.70 7.40 0.00 -1.26 -3.39 121.76 129.28 1psk s ALA 119 Ca -0.04 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.45 1psk s ALA 119 Cb -0.05 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.83 1psk s ALA 119 CO -0.06 0.08 1.09 -1.25 0.00 0.00 0.00 175.76 175.62 1psk s PRO 120 N -0.76 2.93 -0.28 0.00 0.04 -1.25 -4.66 135.00 131.02 1psk s PRO 120 Ca 0.44 0.50 -0.03 0.00 0.04 0.00 0.00 61.00 61.95 1psk s PRO 120 Cb -0.26 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.29 1psk s PRO 120 CO 0.32 -1.00 -0.00 -1.12 0.04 0.00 0.00 177.00 175.24 1psk s SER 121 N -4.33 4.70 -0.01 6.66 0.01 0.35 -4.91 113.70 116.18 1psk s SER 121 Ca 0.58 -0.96 -0.16 0.00 1.31 0.00 0.00 55.95 56.72 1psk s SER 121 Cb -0.11 -1.74 -0.06 0.00 0.21 0.00 0.00 66.02 64.33 1psk s SER 121 CO 0.52 -0.19 0.44 -0.69 0.41 0.00 0.00 173.24 173.74 1psk s VAL 122 N 1.35 5.01 -0.03 3.43 1.01 -1.26 0.01 120.40 129.91 1psk s VAL 122 Ca -0.01 0.92 0.03 0.00 0.00 0.00 0.00 61.98 62.92 1psk s VAL 122 Cb -0.18 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1psk s VAL 122 CO -0.02 0.54 -0.10 -0.31 0.00 0.00 0.00 175.10 175.21 1psk s TYR 123 N -0.81 1.07 0.19 5.22 2.02 0.85 -4.97 117.35 120.93 1psk s TYR 123 Ca 0.25 -0.28 -0.30 0.00 -0.37 0.00 0.00 57.07 56.37 1psk s TYR 123 Cb -0.17 -0.76 -0.08 0.00 -0.40 0.00 0.00 41.96 40.56 1psk s TYR 123 CO 0.14 -0.11 0.96 -1.25 -1.57 0.00 0.00 175.55 173.72 1psk s PRO 124 N 0.16 4.78 -0.41 -1.71 0.04 -1.26 -1.17 135.00 135.42 1psk s PRO 124 Ca -0.03 1.50 0.01 0.00 0.04 0.00 0.00 61.00 62.52 1psk s PRO 124 Cb -0.09 -3.31 0.11 0.00 0.04 0.00 0.00 34.50 31.25 1psk s PRO 124 CO 0.01 0.37 0.17 -0.51 0.04 0.00 0.00 177.00 177.09 1psk s LEU 125 N -0.73 4.97 0.20 -3.56 1.02 0.24 -4.93 118.68 115.89 1psk s LEU 125 Ca 0.44 -2.26 0.05 0.00 0.02 0.00 0.00 54.13 52.37 1psk s LEU 125 Cb -0.26 -1.73 -0.03 0.00 0.02 0.00 0.00 46.19 44.19 1psk s LEU 125 CO 0.32 -0.43 0.26 0.00 0.02 0.00 0.00 176.35 176.52 1psk s ALA 126 N 0.78 3.80 1.13 4.21 0.00 -1.26 -1.80 121.76 128.62 1psk s ALA 126 Ca 0.11 -1.22 -0.15 0.00 0.00 0.00 0.00 51.96 50.71 1psk s ALA 126 Cb -0.21 -1.58 0.25 0.00 0.00 0.00 0.00 23.12 21.58 1psk s ALA 126 CO -0.05 0.37 1.06 -2.14 0.00 0.00 0.00 175.76 175.00 1psk s PRO 127 N -3.58 -0.63 0.00 0.00 0.02 -1.26 -5.03 135.00 124.52 1psk s PRO 127 Ca 0.33 0.43 0.00 0.00 0.02 0.00 0.00 61.00 61.78 1psk s PRO 127 Cb -0.09 -1.62 0.00 0.00 0.02 0.00 0.00 34.50 32.80 1psk s PRO 127 CO 0.27 -3.43 0.00 0.28 -0.33 0.00 0.00 177.00 173.79 1psk n VAL 128 N -4.65 0.00 0.00 3.83 0.31 -1.26 -5.23 118.33 111.33 1psk n VAL 128 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1psk n VAL 128 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 1psk n VAL 128 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1psk n ALA 136 N 0.00 -0.44 -2.61 3.52 0.00 -1.26 -5.30 120.51 114.41 1psk n ALA 136 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1psk n ALA 136 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1psk n ALA 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1psk s VAL 137 N 0.00 5.25 -0.17 0.00 0.11 0.29 -4.88 120.40 120.99 1psk s VAL 137 Ca 0.00 0.39 -0.12 0.00 -2.93 0.00 0.00 61.98 59.33 1psk s VAL 137 Cb 0.00 -3.62 -0.05 0.00 -1.53 0.00 0.00 36.38 31.19 1psk s VAL 137 CO 0.00 0.22 0.21 -0.89 -3.33 0.00 0.00 175.10 171.32 1psk s THR 138 N 1.77 5.36 0.35 5.04 2.01 -1.26 -0.42 115.64 128.49 1psk s THR 138 Ca 0.12 0.37 0.03 0.00 0.31 0.00 0.00 61.69 62.52 1psk s THR 138 Cb -0.15 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 1psk s THR 138 CO 0.09 0.43 0.12 0.18 -0.69 0.00 0.00 174.62 174.75 1psk n LEU 139 N 3.43 0.00 -3.79 4.42 7.99 -0.34 -4.66 117.00 124.06 1psk n LEU 139 Ca -0.14 -2.68 -0.05 0.00 -0.01 0.00 0.00 56.01 53.13 1psk n LEU 139 Cb 0.52 0.87 -0.01 0.00 -0.11 0.00 0.00 43.42 44.68 1psk n LEU 139 CO 0.38 -0.41 0.64 -0.83 -1.51 0.00 0.00 177.39 175.66 1psk s GLY 140 N -3.16 -0.16 -0.06 -0.72 0.00 -0.74 -2.09 107.32 100.39 1psk s GLY 140 Ca 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 44.72 44.82 1psk s GLY 140 CO 0.12 0.03 0.13 0.00 0.00 0.00 0.00 173.10 173.38 1psk s LEU 142 N 1.17 2.34 -0.33 0.00 2.96 -0.32 -0.92 118.68 123.58 1psk s LEU 142 Ca -0.09 -0.58 -0.08 0.00 -0.22 0.00 0.00 54.13 53.16 1psk s LEU 142 Cb -0.12 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.04 1psk s LEU 142 CO -0.06 -0.00 0.14 0.54 -1.32 0.00 0.00 176.35 175.65 1psk s VAL 143 N 1.33 4.17 -0.17 1.68 0.11 0.45 -0.10 120.40 127.87 1psk s VAL 143 Ca 0.05 -0.85 -0.05 0.00 -2.93 0.00 0.00 61.98 58.20 1psk s VAL 143 Cb -0.13 -3.27 -0.03 0.00 -1.53 0.00 0.00 36.38 31.42 1psk s VAL 143 CO -0.10 -0.10 -0.01 -0.75 -3.33 0.00 0.00 175.10 170.81 1psk s LYS 144 N 1.50 3.69 -0.32 1.54 2.47 0.10 -1.74 119.74 126.98 1psk s LYS 144 Ca 0.01 -0.50 -0.01 0.00 -1.56 0.00 0.00 55.97 53.91 1psk s LYS 144 Cb -0.18 -3.01 0.00 0.00 -1.46 0.00 0.00 37.83 33.17 1psk s LYS 144 CO 0.04 0.17 0.32 0.41 0.16 0.00 0.00 175.35 176.45 1psk n GLY 145 N 3.78 -0.78 3.14 5.54 0.00 -0.88 -0.49 105.19 115.51 1psk n GLY 145 Ca -0.17 0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1psk n GLY 145 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1psk s TYR 146 N -2.80 1.18 -0.19 1.61 1.13 -1.13 -3.94 117.35 113.20 1psk s TYR 146 Ca 0.02 -0.36 -0.16 0.00 -1.41 0.00 0.00 57.07 55.16 1psk s TYR 146 Cb -0.01 -0.70 -0.11 0.00 -1.10 0.00 0.00 41.96 40.04 1psk s TYR 146 CO 0.35 0.03 -0.05 0.34 -2.51 0.00 0.00 175.55 173.71 1psk n PHE 147 N 1.85 0.76 -2.20 -3.49 7.35 -1.22 0.03 117.46 120.54 1psk n PHE 147 Ca -0.18 0.33 -0.42 0.00 -0.76 0.00 0.00 57.45 56.42 1psk n PHE 147 Cb 0.55 -0.92 -0.03 0.00 0.35 0.00 0.00 39.48 39.43 1psk n PHE 147 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1psk s PRO 148 N -2.39 4.34 0.48 -7.13 0.02 -1.26 -4.73 135.00 124.33 1psk s PRO 148 Ca -0.25 2.04 0.33 0.00 0.02 0.00 0.00 61.00 63.14 1psk s PRO 148 Cb 0.06 -3.25 1.45 0.00 0.02 0.00 0.00 34.50 32.78 1psk s PRO 148 CO 0.43 -0.39 1.71 1.49 -0.33 0.00 0.00 177.00 179.91 1psk h GLU 149 N 6.59 0.11 -6.44 5.54 4.57 -1.98 -3.44 114.58 119.54 1psk h GLU 149 Ca -0.42 -0.01 -0.54 0.00 -1.18 0.00 0.00 59.36 57.21 1psk h GLU 149 Cb 1.21 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1psk h GLU 149 CO 0.85 0.07 0.69 -1.25 -1.18 0.00 0.00 179.01 178.18 1psk s PRO 150 N -5.15 4.36 -0.06 0.92 0.04 -1.26 -5.00 135.00 128.85 1psk s PRO 150 Ca -0.07 1.86 -0.18 0.00 0.04 0.00 0.00 61.00 62.66 1psk s PRO 150 Cb 0.26 -3.42 0.04 0.00 0.04 0.00 0.00 34.50 31.41 1psk s PRO 150 CO 0.82 -0.41 0.41 0.54 0.04 0.00 0.00 177.00 178.40 1psk s VAL 151 N 1.62 0.03 -0.10 -0.36 0.11 -1.26 -3.78 120.40 116.66 1psk s VAL 151 Ca 0.61 -0.28 0.03 0.00 -2.93 0.00 0.00 61.98 59.41 1psk s VAL 151 Cb -0.30 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 33.87 1psk s VAL 151 CO 0.27 -0.15 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.79 1psk s THR 152 N -0.94 1.86 -0.14 5.04 2.01 -1.03 -4.95 115.64 117.49 1psk s THR 152 Ca -0.10 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.03 1psk s THR 152 Cb -0.04 -1.63 0.02 0.00 0.01 0.00 0.00 72.50 70.86 1psk s THR 152 CO 0.04 0.51 -0.18 -0.22 -0.69 0.00 0.00 174.62 174.08 1psk s LEU 153 N 0.55 1.93 0.20 4.42 1.98 -1.26 -1.52 118.68 124.98 1psk s LEU 153 Ca -0.15 -0.54 0.02 0.00 -2.89 0.00 0.00 54.13 50.57 1psk s LEU 153 Cb -0.17 -1.31 -0.05 0.00 0.66 0.00 0.00 46.19 45.32 1psk s LEU 153 CO 0.05 0.02 0.02 0.42 -1.89 0.00 0.00 176.35 174.97 1psk s THR 154 N 1.07 0.70 -0.27 3.68 -4.23 -0.57 -4.97 115.64 111.05 1psk s THR 154 Ca -0.02 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.51 1psk s THR 154 Cb -0.14 -2.24 0.07 0.00 1.34 0.00 0.00 72.50 71.52 1psk s THR 154 CO -0.06 -0.37 -0.03 0.26 -0.54 0.00 0.00 174.62 173.89 1psk s TRP 155 N -3.65 2.86 0.00 3.99 0.52 -1.26 -0.17 118.94 121.23 1psk s TRP 155 Ca 0.27 -2.18 0.00 0.00 0.02 0.00 0.00 56.10 54.21 1psk s TRP 155 Cb 0.06 -1.98 0.00 0.00 -1.15 0.00 0.00 33.47 30.40 1psk s TRP 155 CO 0.06 -0.85 0.00 0.09 0.02 0.00 0.00 176.95 176.27 1psk n ASN 156 N 4.53 0.00 0.00 2.95 4.13 -0.40 -4.89 115.26 121.58 1psk n ASN 156 Ca -0.08 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.18 1psk n ASN 156 Cb 0.43 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.67 1psk n ASN 156 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1psk n SER 157 N 1.88 0.00 -2.82 6.41 3.41 -1.26 -4.97 113.62 116.28 1psk n SER 157 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.64 1psk n SER 157 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1psk n SER 157 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1psk s SER 162 N -1.54 -0.08 -0.32 4.04 0.15 -1.26 -5.02 113.70 109.67 1psk s SER 162 Ca 0.00 -0.02 -0.00 0.00 0.70 0.00 0.00 55.95 56.62 1psk s SER 162 Cb 0.00 0.38 0.27 0.00 -1.71 0.00 0.00 66.02 64.96 1psk s SER 162 CO 0.00 -0.01 1.89 0.61 1.20 0.00 0.00 173.24 176.93 1psk n GLY 163 N 3.98 4.04 3.79 9.45 0.00 -1.26 -4.96 105.19 120.24 1psk n GLY 163 Ca 0.06 -1.06 -0.36 0.00 0.00 0.00 0.00 46.02 44.66 1psk n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1psk s VAL 164 N -2.35 4.12 -0.32 1.61 1.01 -1.26 -1.29 120.40 121.92 1psk s VAL 164 Ca 0.33 1.65 -0.00 0.00 0.00 0.00 0.00 61.98 63.96 1psk s VAL 164 Cb 0.26 -3.86 0.13 0.00 0.00 0.00 0.00 36.38 32.91 1psk s VAL 164 CO 0.01 0.04 0.26 -1.00 0.00 0.00 0.00 175.10 174.41 1psk s HIS 165 N -1.72 -0.00 -0.02 5.22 3.76 0.29 -4.95 115.29 117.87 1psk s HIS 165 Ca 0.54 -0.80 -0.19 0.00 -0.15 0.00 0.00 55.06 54.45 1psk s HIS 165 Cb -0.18 -0.64 -0.05 0.00 1.11 0.00 0.00 32.58 32.82 1psk s HIS 165 CO 0.23 -0.90 0.55 0.99 -0.85 0.00 0.00 174.74 174.76 1psk s THR 166 N 1.79 4.96 -0.00 1.30 2.01 -1.26 -1.14 115.64 123.29 1psk s THR 166 Ca 0.13 1.14 0.00 0.00 0.31 0.00 0.00 61.69 63.27 1psk s THR 166 Cb -0.17 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 1psk s THR 166 CO -0.19 0.43 0.05 -0.36 -0.69 0.00 0.00 174.62 173.86 1psk s PHE 167 N -0.24 3.20 0.49 4.92 0.40 -0.84 -5.01 117.98 120.90 1psk s PHE 167 Ca 0.29 0.16 -0.23 0.00 -0.60 0.00 0.00 56.93 56.54 1psk s PHE 167 Cb -0.18 -1.71 -0.07 0.00 0.51 0.00 0.00 43.02 41.57 1psk s PHE 167 CO 0.16 0.52 1.26 -2.30 0.70 0.00 0.00 175.22 175.55 1psk n PRO 168 N 1.26 1.70 -2.29 0.24 -0.02 -1.26 -4.34 135.00 130.29 1psk n PRO 168 Ca -0.14 0.62 -0.37 0.00 -2.02 0.00 0.00 63.50 61.59 1psk n PRO 168 Cb 0.53 -2.42 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 1psk n PRO 168 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1psk s ALA 169 N -1.28 2.94 -0.08 3.55 0.00 -1.26 -4.82 121.76 120.81 1psk s ALA 169 Ca 0.67 0.89 0.02 0.00 0.00 0.00 0.00 51.96 53.54 1psk s ALA 169 Cb -0.46 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.31 1psk s ALA 169 CO 0.53 -0.62 -0.13 0.14 0.00 0.00 0.00 175.76 175.68 1psk s VAL 170 N -1.60 1.25 0.06 0.00 -7.23 -0.88 -4.93 120.40 107.08 1psk s VAL 170 Ca 0.64 -0.53 -0.21 0.00 -1.81 0.00 0.00 61.98 60.08 1psk s VAL 170 Cb -0.27 -1.15 -0.06 0.00 0.56 0.00 0.00 36.38 35.46 1psk s VAL 170 CO 0.32 0.39 0.62 -0.22 -0.31 0.00 0.00 175.10 175.90 1psk s LEU 171 N 0.79 4.50 0.00 1.32 2.96 -1.26 -1.47 118.68 125.52 1psk s LEU 171 Ca -0.12 1.30 0.00 0.00 -0.22 0.00 0.00 54.13 55.09 1psk s LEU 171 Cb -0.16 -2.98 0.00 0.00 0.50 0.00 0.00 46.19 43.56 1psk s LEU 171 CO 0.02 0.20 0.00 1.67 -1.32 0.00 0.00 176.35 176.92 1psk n GLN 172 N 2.07 0.00 -3.16 1.98 0.00 -0.53 -4.95 117.38 112.80 1psk n GLN 172 Ca -0.08 0.00 -0.38 0.00 -0.00 0.00 0.00 57.00 56.54 1psk n GLN 172 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.72 1psk n GLN 172 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1psk n SER 173 N 0.00 5.55 -2.63 1.69 7.64 -1.26 -4.70 113.62 119.91 1psk n SER 173 Ca 0.00 -3.41 -0.21 0.00 1.01 0.00 0.00 58.87 56.25 1psk n SER 173 Cb 0.00 -1.08 0.01 0.00 -1.01 0.00 0.00 64.21 62.12 1psk n SER 173 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1psk n ASP 174 N 1.22 -6.01 -3.77 6.43 8.00 -1.26 -4.98 116.55 116.19 1psk n ASP 174 Ca 0.27 -0.12 -0.13 0.00 0.71 0.00 0.00 54.79 55.52 1psk n ASP 174 Cb 0.36 -4.95 -0.13 0.00 -0.02 0.00 0.00 41.12 36.38 1psk n ASP 174 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1psk s LEU 175 N -6.29 0.86 0.25 0.64 1.43 -1.26 -4.63 118.68 109.68 1psk s LEU 175 Ca 0.11 0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 53.56 1psk s LEU 175 Cb -0.05 0.57 -0.05 0.00 0.03 0.00 0.00 46.19 46.69 1psk s LEU 175 CO 0.14 -0.12 0.50 -0.31 0.23 0.00 0.00 176.35 176.79 1psk s TYR 176 N 0.78 3.47 -0.04 0.29 1.51 0.10 -1.45 117.35 122.02 1psk s TYR 176 Ca -0.06 0.58 -0.00 0.00 -1.01 0.00 0.00 57.07 56.59 1psk s TYR 176 Cb -0.07 -2.05 0.03 0.00 -0.11 0.00 0.00 41.96 39.76 1psk s TYR 176 CO -0.04 0.25 0.01 0.99 -1.11 0.00 0.00 175.55 175.65 1psk s THR 177 N -1.97 0.20 0.02 -0.71 2.01 -0.54 -2.07 115.64 112.59 1psk s THR 177 Ca 0.43 0.14 0.04 0.00 0.31 0.00 0.00 61.69 62.61 1psk s THR 177 Cb -0.11 -0.33 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 1psk s THR 177 CO 0.28 0.18 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.04 1psk s LEU 178 N 1.42 2.12 0.32 4.42 2.96 -0.71 -2.07 118.68 127.15 1psk s LEU 178 Ca -0.04 -0.38 0.05 0.00 -0.22 0.00 0.00 54.13 53.54 1psk s LEU 178 Cb -0.13 -0.59 -0.06 0.00 0.50 0.00 0.00 46.19 45.90 1psk s LEU 178 CO -0.03 0.06 0.02 -0.94 -1.32 0.00 0.00 176.35 174.15 1psk s SER 179 N -0.86 2.70 -0.24 3.68 1.04 -1.26 -0.41 113.70 118.35 1psk s SER 179 Ca 0.02 -1.32 -0.13 0.00 0.48 0.00 0.00 55.95 55.00 1psk s SER 179 Cb -0.07 -0.15 0.08 0.00 0.10 0.00 0.00 66.02 65.98 1psk s SER 179 CO 0.01 -0.51 0.58 -0.55 0.98 0.00 0.00 173.24 173.74 1psk s SER 180 N -3.51 -0.78 -0.00 7.02 0.15 -0.09 -1.99 113.70 114.50 1psk s SER 180 Ca 0.34 1.29 0.06 0.00 0.70 0.00 0.00 55.95 58.34 1psk s SER 180 Cb 0.08 1.26 -0.03 0.00 -1.71 0.00 0.00 66.02 65.62 1psk s SER 180 CO 0.15 -0.22 -0.18 -0.94 1.20 0.00 0.00 173.24 173.24 1psk s SER 181 N 1.73 3.75 -0.04 5.45 1.04 -0.29 -0.66 113.70 124.68 1psk s SER 181 Ca -0.09 -0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.01 1psk s SER 181 Cb -0.07 -0.65 0.01 0.00 0.10 0.00 0.00 66.02 65.41 1psk s SER 181 CO -0.17 0.30 -0.08 0.54 0.98 0.00 0.00 173.24 174.81 1psk s VAL 182 N -0.80 0.74 -0.31 5.02 0.11 -0.89 0.10 120.40 124.38 1psk s VAL 182 Ca 0.13 -0.30 -0.08 0.00 -2.93 0.00 0.00 61.98 58.79 1psk s VAL 182 Cb -0.10 -0.69 0.01 0.00 -1.53 0.00 0.00 36.38 34.06 1psk s VAL 182 CO 0.02 0.25 0.11 -0.89 -3.33 0.00 0.00 175.10 171.27 1psk s THR 183 N 0.45 4.21 0.37 5.04 2.01 -0.41 -1.19 115.64 126.12 1psk s THR 183 Ca -0.07 -0.64 0.08 0.00 0.31 0.00 0.00 61.69 61.38 1psk s THR 183 Cb -0.11 -3.19 -0.06 0.00 0.01 0.00 0.00 72.50 69.15 1psk s THR 183 CO 0.01 0.04 0.00 0.54 -0.69 0.00 0.00 174.62 174.52 1psk s VAL 184 N 1.54 2.28 0.49 3.82 0.11 0.44 -4.01 120.40 125.06 1psk s VAL 184 Ca 0.03 -2.02 -0.09 0.00 -2.93 0.00 0.00 61.98 56.97 1psk s VAL 184 Cb -0.17 -2.84 -0.05 0.00 -1.53 0.00 0.00 36.38 31.79 1psk s VAL 184 CO 0.04 -0.12 0.85 0.28 -3.33 0.00 0.00 175.10 172.82 1psk s THR 185 N -2.61 4.80 0.37 5.04 -1.32 -1.26 0.10 115.64 120.76 1psk s THR 185 Ca 0.35 0.56 0.10 0.00 -1.21 0.00 0.00 61.69 61.49 1psk s THR 185 Cb 0.04 -3.81 0.13 0.00 -1.51 0.00 0.00 72.50 67.35 1psk s THR 185 CO 0.18 -0.79 1.87 0.28 -2.21 0.00 0.00 174.62 173.95 1psk h SER 186 N 0.51 0.16 0.00 8.08 0.02 -1.90 -3.08 113.55 117.35 1psk h SER 186 Ca -0.46 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1psk h SER 186 Cb 1.19 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1psk h SER 186 CO 0.62 0.41 0.00 -1.54 -1.14 0.00 0.00 176.83 175.18 1psk n SER 187 N -4.20 0.08 -0.00 3.07 3.41 -1.26 -3.62 113.62 111.10 1psk n SER 187 Ca -0.01 -1.71 -0.01 0.00 -0.26 0.00 0.00 58.87 56.88 1psk n SER 187 Cb 0.33 -0.04 -0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1psk n SER 187 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1psk n THR 188 N -0.45 0.03 -3.50 6.66 -2.24 -1.17 -4.95 114.28 108.67 1psk n THR 188 Ca 0.00 -0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1psk n THR 188 Cb 0.02 -1.50 -0.06 0.00 -2.10 0.00 0.00 70.33 66.68 1psk n THR 188 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1psk s TRP 189 N -2.01 3.64 -1.74 4.78 -0.00 -1.23 0.94 118.94 123.33 1psk s TRP 189 Ca -0.01 0.88 0.29 0.00 -0.00 0.00 0.00 56.10 57.25 1psk s TRP 189 Cb 0.00 -2.32 1.22 0.00 -0.00 0.00 0.00 33.47 32.37 1psk s TRP 189 CO 0.01 0.50 1.85 -2.30 -0.00 0.00 0.00 176.95 177.01 1psk n PRO 190 N 2.46 0.79 -0.22 5.86 -0.02 -1.26 -4.78 135.00 137.83 1psk n PRO 190 Ca -0.13 -0.29 0.16 0.00 -2.02 0.00 0.00 63.50 61.22 1psk n PRO 190 Cb 0.52 -1.49 0.48 0.00 -0.02 0.00 0.00 33.50 32.99 1psk n PRO 190 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1psk h SER 191 N 0.71 0.45 -3.39 2.55 0.02 -1.75 -3.36 113.55 108.78 1psk h SER 191 Ca 0.00 0.03 -0.67 0.00 -0.84 0.00 0.00 61.79 60.32 1psk h SER 191 Cb 0.36 -0.05 -0.29 0.00 0.14 0.00 0.00 62.40 62.55 1psk h SER 191 CO 0.00 0.21 -0.82 -1.58 -1.14 0.00 0.00 176.83 173.51 1psk s GLN 192 N -5.47 3.18 0.47 3.45 2.00 0.27 -5.11 119.66 118.44 1psk s GLN 192 Ca -0.08 -0.77 -0.21 0.00 -2.00 0.00 0.00 55.36 52.29 1psk s GLN 192 Cb 0.22 -2.47 -0.09 0.00 0.80 0.00 0.00 33.01 31.47 1psk s GLN 192 CO 0.78 0.23 1.04 -1.54 -0.50 0.00 0.00 175.29 175.30 1psk s SER 193 N 0.27 6.43 -0.24 6.67 1.04 -1.26 -4.18 113.70 122.44 1psk s SER 193 Ca -0.13 1.96 0.01 0.00 0.48 0.00 0.00 55.95 58.28 1psk s SER 193 Cb -0.16 -2.57 0.06 0.00 0.10 0.00 0.00 66.02 63.45 1psk s SER 193 CO 0.07 -0.72 -0.07 -0.63 0.98 0.00 0.00 173.24 172.87 1psk s ILE 194 N -1.89 1.68 0.12 -1.02 -1.09 -1.26 -5.03 121.20 112.71 1psk s ILE 194 Ca 0.65 -1.32 0.07 0.00 -2.23 0.00 0.00 60.65 57.82 1psk s ILE 194 Cb -0.18 -1.91 -0.04 0.00 -1.58 0.00 0.00 42.46 38.75 1psk s ILE 194 CO 0.22 -0.08 -0.09 -0.89 -1.23 0.00 0.00 174.94 172.87 1psk s THR 195 N 1.32 3.40 -0.15 2.92 2.01 -1.23 -4.39 115.64 119.52 1psk s THR 195 Ca -0.07 -1.31 0.02 0.00 0.31 0.00 0.00 61.69 60.65 1psk s THR 195 Cb -0.19 -2.61 0.01 0.00 0.01 0.00 0.00 72.50 69.72 1psk s THR 195 CO -0.06 0.08 -0.21 0.00 -0.69 0.00 0.00 174.62 173.73 1psk s ASN 197 N 0.95 6.45 -0.02 0.00 -0.87 0.76 -2.08 114.94 120.13 1psk s ASN 197 Ca -0.04 0.53 0.07 0.00 -1.57 0.00 0.00 52.86 51.84 1psk s ASN 197 Cb -0.15 -2.18 -0.02 0.00 -0.02 0.00 0.00 41.25 38.88 1psk s ASN 197 CO -0.05 0.12 -0.21 -0.69 -2.57 0.00 0.00 177.10 173.69 1psk s VAL 198 N 0.36 1.67 0.02 1.60 1.01 0.99 -1.51 120.40 124.55 1psk s VAL 198 Ca 0.17 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1psk s VAL 198 Cb -0.13 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1psk s VAL 198 CO 0.04 0.47 -0.06 0.00 0.00 0.00 0.00 175.10 175.56 1psk s ALA 199 N -0.50 0.43 0.00 5.51 0.00 -0.58 -0.25 121.76 126.37 1psk s ALA 199 Ca 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1psk s ALA 199 Cb -0.08 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.05 1psk s ALA 199 CO -0.01 0.00 0.00 1.58 0.00 0.00 0.00 175.76 177.33 1psk n HIS 200 N 2.03 0.00 0.00 0.00 -0.00 0.24 -2.46 115.22 115.03 1psk n HIS 200 Ca -0.19 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.99 1psk n HIS 200 Cb 0.56 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.43 1psk n HIS 200 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1psk n PRO 201 N 1.60 0.00 -3.09 1.57 -0.02 -1.25 -0.12 135.00 133.69 1psk n PRO 201 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.23 1psk n PRO 201 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 1psk n PRO 201 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1psk n ALA 202 N 0.14 3.80 -1.76 3.55 0.00 -1.25 -4.64 120.51 120.34 1psk n ALA 202 Ca 0.00 -4.32 -0.10 0.00 0.00 0.00 0.00 53.44 49.03 1psk n ALA 202 Cb 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 1psk n ALA 202 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1psk n SER 203 N 0.15 -2.90 -4.84 0.00 7.64 -0.19 -4.81 113.62 108.67 1psk n SER 203 Ca 0.29 0.25 -0.38 0.00 1.01 0.00 0.00 58.87 60.04 1psk n SER 203 Cb 0.47 -2.68 -0.06 0.00 -1.01 0.00 0.00 64.21 60.92 1psk n SER 203 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1psk s SER 204 N -1.91 6.73 -0.12 6.43 0.01 0.83 -4.82 113.70 120.84 1psk s SER 204 Ca 0.00 0.86 -0.01 0.00 1.31 0.00 0.00 55.95 58.12 1psk s SER 204 Cb 0.00 -2.22 0.03 0.00 0.21 0.00 0.00 66.02 64.04 1psk s SER 204 CO 0.00 0.33 -0.04 -0.89 0.41 0.00 0.00 173.24 173.05 1psk s THR 205 N -1.01 0.82 -0.03 1.44 2.01 -1.26 0.80 115.64 118.41 1psk s THR 205 Ca 0.22 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.97 1psk s THR 205 Cb -0.16 -0.95 0.01 0.00 0.01 0.00 0.00 72.50 71.41 1psk s THR 205 CO 0.11 0.24 -0.07 -0.54 -0.69 0.00 0.00 174.62 173.68 1psk s LYS 206 N 1.78 0.85 0.00 4.92 1.02 0.65 -4.97 119.74 123.99 1psk s LYS 206 Ca 0.04 -0.20 0.02 0.00 0.02 0.00 0.00 55.97 55.84 1psk s LYS 206 Cb -0.13 -0.82 -0.04 0.00 -0.52 0.00 0.00 37.83 36.32 1psk s LYS 206 CO -0.07 0.02 -0.02 0.14 -0.92 0.00 0.00 175.35 174.50 1psk s VAL 207 N 0.48 4.01 0.00 3.17 -7.23 -1.26 -0.01 120.40 119.57 1psk s VAL 207 Ca -0.07 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.44 1psk s VAL 207 Cb -0.11 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 34.05 1psk s VAL 207 CO 0.00 0.37 0.00 0.47 -0.31 0.00 0.00 175.10 175.63 1psk n ASP 208 N 1.40 0.00 -0.03 4.85 8.00 -0.88 -4.96 116.55 124.93 1psk n ASP 208 Ca -0.15 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.51 1psk n ASP 208 Cb 0.53 0.00 0.92 0.00 -0.02 0.00 0.00 41.12 42.55 1psk n ASP 208 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10