#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mim s ILE 2 N 0.00 4.98 -0.24 5.09 1.09 -1.26 -4.98 121.20 125.88 1mim s ILE 2 Ca 0.00 1.54 -0.10 0.00 -1.10 0.00 0.00 60.65 61.00 1mim s ILE 2 Cb 0.00 -4.09 -0.05 0.00 -1.06 0.00 0.00 42.46 37.26 1mim s ILE 2 CO 0.00 0.17 0.14 -0.69 -0.10 0.00 0.00 174.94 174.45 1mim s VAL 3 N 1.28 5.09 -0.22 2.92 1.01 -1.26 -4.75 120.40 124.47 1mim s VAL 3 Ca 0.39 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.34 1mim s VAL 3 Cb -0.18 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 1mim s VAL 3 CO 0.17 0.34 0.21 -0.44 0.00 0.00 0.00 175.10 175.38 1mim s SER 4 N 1.17 6.20 -0.20 3.32 0.01 -1.26 -2.01 113.70 120.93 1mim s SER 4 Ca 0.06 0.22 -0.04 0.00 1.31 0.00 0.00 55.95 57.51 1mim s SER 4 Cb -0.14 -2.13 -0.02 0.00 0.21 0.00 0.00 66.02 63.94 1mim s SER 4 CO 0.05 0.06 -0.03 -0.89 0.41 0.00 0.00 173.24 172.84 1mim s THR 5 N 0.97 3.66 -0.10 1.44 2.01 -0.82 -4.32 115.64 118.47 1mim s THR 5 Ca 0.10 -0.41 -0.04 0.00 0.31 0.00 0.00 61.69 61.65 1mim s THR 5 Cb -0.13 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 1mim s THR 5 CO 0.04 0.44 0.05 -1.10 -0.69 0.00 0.00 174.62 173.36 1mim s GLN 6 N 1.04 3.20 -0.07 4.92 -0.21 -1.26 -1.68 119.66 125.60 1mim s GLN 6 Ca 0.01 -0.31 -0.07 0.00 0.02 0.00 0.00 55.36 55.02 1mim s GLN 6 Cb -0.15 -2.95 0.02 0.00 1.00 0.00 0.00 33.01 30.93 1mim s GLN 6 CO 0.01 0.70 0.20 -1.12 -2.12 0.00 0.00 175.29 172.95 1mim s SER 7 N -0.85 -0.20 0.74 5.90 0.01 -1.14 -4.38 113.70 113.78 1mim s SER 7 Ca 0.13 0.40 -0.11 0.00 1.31 0.00 0.00 55.95 57.67 1mim s SER 7 Cb -0.12 0.39 0.04 0.00 0.21 0.00 0.00 66.02 66.54 1mim s SER 7 CO 0.03 -0.08 1.09 -2.16 0.41 0.00 0.00 173.24 172.53 1mim s PRO 8 N 0.21 2.55 0.05 12.44 0.04 -1.26 -1.72 135.00 147.30 1mim s PRO 8 Ca -0.01 0.60 0.02 0.00 0.04 0.00 0.00 61.00 61.65 1mim s PRO 8 Cb -0.02 -1.97 -0.25 0.00 0.04 0.00 0.00 34.50 32.29 1mim s PRO 8 CO -0.00 -1.29 1.01 0.00 0.04 0.00 0.00 177.00 176.76 1mim h ALA 9 N -0.84 0.34 -3.62 8.56 0.00 -1.79 -3.39 119.26 118.51 1mim h ALA 9 Ca -0.46 -1.06 -0.45 0.00 0.00 0.00 0.00 54.91 52.95 1mim h ALA 9 Cb 1.25 0.12 -0.23 0.00 0.00 0.00 0.00 17.79 18.93 1mim h ALA 9 CO 0.61 1.21 -0.79 0.42 0.00 0.00 0.00 179.25 180.70 1mim s ILE 10 N -2.65 1.18 -0.22 0.00 -1.09 -1.26 -0.90 121.20 116.26 1mim s ILE 10 Ca -0.04 -1.17 -0.10 0.00 -2.23 0.00 0.00 60.65 57.10 1mim s ILE 10 Cb 0.08 -1.09 0.08 0.00 -1.58 0.00 0.00 42.46 39.95 1mim s ILE 10 CO 0.84 -0.08 0.51 -0.32 -1.23 0.00 0.00 174.94 174.66 1mim s MET 11 N -1.44 0.48 0.01 2.79 1.75 -0.80 -4.91 119.30 117.18 1mim s MET 11 Ca 0.01 1.04 0.00 0.00 -1.25 0.00 0.00 55.69 55.50 1mim s MET 11 Cb -0.09 0.22 -0.04 0.00 2.84 0.00 0.00 34.83 37.76 1mim s MET 11 CO 0.02 -0.18 0.07 -1.12 -0.65 0.00 0.00 175.02 173.15 1mim s SER 12 N 1.94 5.57 -0.12 1.11 0.01 -1.26 -1.29 113.70 119.66 1mim s SER 12 Ca -0.07 0.10 -0.10 0.00 1.31 0.00 0.00 55.95 57.19 1mim s SER 12 Cb -0.09 -1.56 0.03 0.00 0.21 0.00 0.00 66.02 64.61 1mim s SER 12 CO -0.15 0.26 0.31 0.00 0.41 0.00 0.00 173.24 174.06 1mim s ALA 13 N -1.20 -0.75 0.49 1.44 0.00 -0.33 -4.81 121.76 116.59 1mim s ALA 13 Ca 0.23 0.92 -0.19 0.00 0.00 0.00 0.00 51.96 52.92 1mim s ALA 13 Cb -0.12 -0.54 -0.08 0.00 0.00 0.00 0.00 23.12 22.37 1mim s ALA 13 CO 0.14 -0.16 1.02 -1.12 0.00 0.00 0.00 175.76 175.64 1mim s SER 14 N 0.37 6.43 0.18 0.00 0.01 -1.26 -1.47 113.70 117.96 1mim s SER 14 Ca -0.02 1.82 -0.31 0.00 1.31 0.00 0.00 55.95 58.75 1mim s SER 14 Cb -0.03 -2.55 -0.10 0.00 0.21 0.00 0.00 66.02 63.55 1mim s SER 14 CO -0.01 -0.72 1.56 -2.84 0.41 0.00 0.00 173.24 171.64 1mim s PRO 15 N -3.41 4.21 0.00 12.44 0.02 -1.26 -1.14 135.00 145.86 1mim s PRO 15 Ca 0.65 2.38 0.00 0.00 0.02 0.00 0.00 61.00 64.05 1mim s PRO 15 Cb -0.14 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.24 1mim s PRO 15 CO 0.22 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.70 1mim n GLY 16 N 3.51 3.36 3.62 0.52 0.00 -0.23 -4.90 105.19 111.07 1mim n GLY 16 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1mim n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mim s GLU 17 N -0.88 -0.29 -0.20 1.61 2.02 -0.29 -4.23 118.70 116.44 1mim s GLU 17 Ca 0.00 0.40 -0.01 0.00 0.02 0.00 0.00 54.97 55.37 1mim s GLU 17 Cb 0.00 -1.66 0.00 0.00 0.10 0.00 0.00 34.13 32.57 1mim s GLU 17 CO 0.00 -3.19 -0.12 0.21 0.02 0.00 0.00 175.26 172.18 1mim s LYS 18 N -4.99 3.21 0.19 1.61 2.20 -1.24 0.12 119.74 120.83 1mim s LYS 18 Ca 0.67 -0.72 0.08 0.00 -0.36 0.00 0.00 55.97 55.64 1mim s LYS 18 Cb -0.18 -2.79 -0.04 0.00 -1.51 0.00 0.00 37.83 33.32 1mim s LYS 18 CO 0.58 -0.17 -0.03 0.14 -0.36 0.00 0.00 175.35 175.51 1mim s VAL 19 N 1.31 3.52 -0.07 4.02 -7.23 -0.89 -4.95 120.40 116.11 1mim s VAL 19 Ca 0.04 -1.58 -0.03 0.00 -1.81 0.00 0.00 61.98 58.60 1mim s VAL 19 Cb -0.14 -2.79 0.04 0.00 0.56 0.00 0.00 36.38 34.06 1mim s VAL 19 CO -0.07 -0.16 0.15 -0.89 -0.31 0.00 0.00 175.10 173.83 1mim s THR 20 N -1.83 -0.14 -0.04 5.32 2.01 -1.26 -0.85 115.64 118.84 1mim s THR 20 Ca 0.27 0.25 0.04 0.00 0.31 0.00 0.00 61.69 62.56 1mim s THR 20 Cb -0.09 -0.27 -0.00 0.00 0.01 0.00 0.00 72.50 72.16 1mim s THR 20 CO 0.18 0.10 -0.15 0.00 -0.69 0.00 0.00 174.62 174.06 1mim s MET 21 N 1.63 1.65 0.32 4.92 0.23 0.42 -4.77 119.30 123.72 1mim s MET 21 Ca -0.04 -0.54 -0.08 0.00 -1.03 0.00 0.00 55.69 53.99 1mim s MET 21 Cb -0.12 -1.43 -0.06 0.00 -1.53 0.00 0.00 34.83 31.69 1mim s MET 21 CO -0.06 0.20 0.64 0.99 -2.03 0.00 0.00 175.02 174.76 1mim s THR 22 N 0.14 4.90 -0.22 3.16 2.01 -0.70 -0.42 115.64 124.51 1mim s THR 22 Ca -0.05 0.39 -0.04 0.00 0.31 0.00 0.00 61.69 62.31 1mim s THR 22 Cb -0.12 -3.70 0.11 0.00 0.01 0.00 0.00 72.50 68.80 1mim s THR 22 CO 0.02 -0.34 0.34 0.00 -0.69 0.00 0.00 174.62 173.95 1mim s SER 24 N 2.49 4.95 -0.23 0.00 0.01 -0.67 -2.47 113.70 117.78 1mim s SER 24 Ca 0.08 -0.07 -0.20 0.00 1.31 0.00 0.00 55.95 57.08 1mim s SER 24 Cb -0.15 -1.75 -0.02 0.00 0.21 0.00 0.00 66.02 64.31 1mim s SER 24 CO -0.14 0.20 0.62 0.00 0.41 0.00 0.00 173.24 174.33 1mim s ALA 25 N 0.19 3.58 0.53 1.44 0.00 0.49 -1.95 121.76 126.04 1mim s ALA 25 Ca -0.01 -0.38 0.19 0.00 0.00 0.00 0.00 51.96 51.75 1mim s ALA 25 Cb -0.13 -2.99 1.36 0.00 0.00 0.00 0.00 23.12 21.36 1mim s ALA 25 CO 0.02 -0.69 2.16 0.66 0.00 0.00 0.00 175.76 177.91 1mim h SER 26 N 7.72 0.00 -3.34 0.00 4.64 -1.71 -3.40 113.55 117.46 1mim h SER 26 Ca -0.29 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.61 1mim h SER 26 Cb 1.13 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.86 1mim h SER 26 CO 0.77 0.00 -0.77 -0.44 -0.87 0.00 0.00 176.83 175.52 1mim s SER 27 N -6.88 1.27 -0.37 4.97 0.01 -1.26 -4.98 113.70 106.46 1mim s SER 27 Ca -0.05 -0.09 -0.33 0.00 1.31 0.00 0.00 55.95 56.79 1mim s SER 27 Cb 0.17 -0.42 -0.14 0.00 0.21 0.00 0.00 66.02 65.84 1mim s SER 27 CO 0.65 -0.14 1.41 -1.20 0.41 0.00 0.00 173.24 174.37 1mim n SER 28 N 4.71 0.68 -4.24 2.44 7.64 -1.26 -4.90 113.62 118.69 1mim n SER 28 Ca -0.15 0.64 -0.26 0.00 1.01 0.00 0.00 58.87 60.12 1mim n SER 28 Cb 0.50 -0.65 -0.15 0.00 -1.01 0.00 0.00 64.21 62.90 1mim n SER 28 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1mim s ARG 29 N 3.54 1.48 0.09 1.43 6.06 -0.04 -4.97 118.95 126.54 1mim s ARG 29 Ca 0.84 -0.86 -0.22 0.00 -2.50 0.00 0.00 55.73 52.99 1mim s ARG 29 Cb -1.10 -1.54 -0.12 0.00 0.06 0.00 0.00 34.95 32.26 1mim s ARG 29 CO 0.53 0.40 1.68 0.66 -2.50 0.00 0.00 175.30 176.07 1mim h SER 30 N 5.15 0.12 -4.16 -2.12 4.64 -1.93 -3.35 113.55 111.90 1mim h SER 30 Ca -0.41 -0.09 -0.38 0.00 -0.47 0.00 0.00 61.79 60.44 1mim h SER 30 Cb 1.15 -0.03 -0.27 0.00 -0.31 0.00 0.00 62.40 62.94 1mim h SER 30 CO 0.45 0.17 -0.77 -0.31 -0.87 0.00 0.00 176.83 175.50 1mim s TYR 31 N -5.86 0.85 0.02 4.77 2.02 -1.26 -4.87 117.35 113.02 1mim s TYR 31 Ca -0.13 -0.23 0.08 0.00 -0.37 0.00 0.00 57.07 56.42 1mim s TYR 31 Cb 0.07 -0.53 -0.02 0.00 -0.40 0.00 0.00 41.96 41.07 1mim s TYR 31 CO 0.68 -0.01 -0.25 1.41 -1.57 0.00 0.00 175.55 175.81 1mim s MET 32 N -0.54 1.82 0.32 -0.62 -2.45 -1.26 -4.43 119.30 112.13 1mim s MET 32 Ca 0.01 -1.01 0.06 0.00 -1.25 0.00 0.00 55.69 53.50 1mim s MET 32 Cb -0.05 -1.90 -0.06 0.00 1.25 0.00 0.00 34.83 34.06 1mim s MET 32 CO 0.00 0.50 -0.01 -0.65 1.05 0.00 0.00 175.02 175.91 1mim s GLN 33 N -1.01 1.67 -0.11 4.11 -0.21 -0.33 -0.47 119.66 123.31 1mim s GLN 33 Ca 0.10 -1.89 -0.05 0.00 0.02 0.00 0.00 55.36 53.54 1mim s GLN 33 Cb -0.10 -1.18 0.05 0.00 1.00 0.00 0.00 33.01 32.78 1mim s GLN 33 CO 0.01 -0.04 0.25 -1.58 -2.12 0.00 0.00 175.29 171.81 1mim s TRP 34 N -3.02 -0.34 0.20 0.91 0.52 -0.04 -0.83 118.94 116.34 1mim s TRP 34 Ca 0.33 0.81 0.09 0.00 0.02 0.00 0.00 56.10 57.35 1mim s TRP 34 Cb 0.06 0.04 -0.04 0.00 -1.15 0.00 0.00 33.47 32.38 1mim s TRP 34 CO 0.14 -0.25 -0.07 0.71 0.02 0.00 0.00 176.95 177.51 1mim s TYR 35 N 1.39 2.67 0.02 -1.98 1.51 0.13 -1.36 117.35 119.72 1mim s TYR 35 Ca -0.08 -0.21 0.08 0.00 -1.01 0.00 0.00 57.07 55.85 1mim s TYR 35 Cb -0.11 -1.27 -0.02 0.00 -0.11 0.00 0.00 41.96 40.45 1mim s TYR 35 CO -0.09 0.54 -0.25 -1.14 -1.11 0.00 0.00 175.55 173.50 1mim s GLN 36 N -3.03 1.87 -0.02 -0.62 0.74 -0.56 -0.66 119.66 117.39 1mim s GLN 36 Ca 0.27 -1.00 -0.00 0.00 0.05 0.00 0.00 55.36 54.67 1mim s GLN 36 Cb -0.08 -1.94 0.02 0.00 1.10 0.00 0.00 33.01 32.11 1mim s GLN 36 CO 0.17 0.51 0.02 -1.14 -0.55 0.00 0.00 175.29 174.30 1mim s GLN 37 N -0.95 -0.02 0.27 1.67 0.74 0.10 -0.87 119.66 120.60 1mim s GLN 37 Ca 0.10 0.13 0.06 0.00 0.05 0.00 0.00 55.36 55.71 1mim s GLN 37 Cb -0.10 -0.16 -0.03 0.00 1.10 0.00 0.00 33.01 33.82 1mim s GLN 37 CO 0.01 -0.11 0.33 0.15 -0.55 0.00 0.00 175.29 175.11 1mim s LYS 38 N 0.73 3.18 0.09 1.67 -0.14 -1.26 -0.98 119.74 123.02 1mim s LYS 38 Ca -0.06 -0.93 -0.31 0.00 -1.36 0.00 0.00 55.97 53.31 1mim s LYS 38 Cb -0.09 -2.75 -0.10 0.00 -1.68 0.00 0.00 37.83 33.21 1mim s LYS 38 CO -0.02 0.33 1.90 -2.30 -0.76 0.00 0.00 175.35 174.50 1mim n PRO 39 N -1.38 2.83 -1.42 -1.68 -0.02 -1.26 -2.59 135.00 129.49 1mim n PRO 39 Ca -0.07 1.03 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1mim n PRO 39 Cb 0.58 -2.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 1mim n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mim n GLY 40 N 4.37 0.71 3.15 -1.23 0.00 -1.26 -5.05 105.19 105.88 1mim n GLY 40 Ca 0.19 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 1mim n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mim s THR 41 N -2.00 0.42 0.81 2.61 -4.23 -1.07 -5.16 115.64 107.02 1mim s THR 41 Ca 0.00 -1.89 -0.10 0.00 -1.18 0.00 0.00 61.69 58.51 1mim s THR 41 Cb 0.00 -1.76 0.08 0.00 1.34 0.00 0.00 72.50 72.16 1mim s THR 41 CO 0.00 -0.78 1.11 -0.44 -0.54 0.00 0.00 174.62 173.97 1mim s SER 42 N -3.02 4.06 0.51 3.99 0.01 -1.26 -4.61 113.70 113.39 1mim s SER 42 Ca 0.14 1.92 -0.23 0.00 1.31 0.00 0.00 55.95 59.10 1mim s SER 42 Cb 0.07 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.70 1mim s SER 42 CO -0.04 -2.33 1.31 -2.65 0.41 0.00 0.00 173.24 169.94 1mim n PRO 43 N -3.72 1.74 -4.38 12.44 -0.02 -1.26 -4.73 135.00 135.07 1mim n PRO 43 Ca 0.10 0.63 -0.30 0.00 -2.02 0.00 0.00 63.50 61.91 1mim n PRO 43 Cb 0.53 -2.50 -0.12 0.00 -0.02 0.00 0.00 33.50 31.39 1mim n PRO 43 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1mim s LYS 44 N -2.67 1.86 0.09 -0.52 1.02 -0.05 -4.90 119.74 114.57 1mim s LYS 44 Ca 0.68 -1.13 -0.31 0.00 0.02 0.00 0.00 55.97 55.23 1mim s LYS 44 Cb -0.44 -2.14 -0.08 0.00 -0.52 0.00 0.00 37.83 34.65 1mim s LYS 44 CO 0.52 0.49 1.48 -0.98 -0.92 0.00 0.00 175.35 175.94 1mim s ARG 45 N -1.99 4.27 0.00 1.68 1.70 -1.26 -1.49 118.95 121.85 1mim s ARG 45 Ca 0.17 2.16 0.00 0.00 -0.47 0.00 0.00 55.73 57.59 1mim s ARG 45 Cb -0.11 -3.36 0.00 0.00 -0.57 0.00 0.00 34.95 30.92 1mim s ARG 45 CO 0.09 -0.55 0.00 1.87 -1.08 0.00 0.00 175.30 175.63 1mim n TRP 46 N 4.53 0.00 -4.08 5.89 -0.00 -0.46 -4.82 117.44 118.50 1mim n TRP 46 Ca 0.13 0.00 -0.30 0.00 -0.00 0.00 0.00 57.50 57.33 1mim n TRP 46 Cb 0.41 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.66 1mim n TRP 46 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1mim s ILE 47 N -0.12 4.36 0.08 5.87 1.01 -0.78 -1.39 121.20 130.23 1mim s ILE 47 Ca 0.00 -0.88 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 1mim s ILE 47 Cb 0.00 -3.11 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 1mim s ILE 47 CO 0.00 0.09 0.14 -0.72 0.00 0.00 0.00 174.94 174.45 1mim s TYR 48 N -1.42 0.23 -1.50 3.97 -0.85 0.09 -0.86 117.35 117.01 1mim s TYR 48 Ca 0.28 -0.68 -0.08 0.00 -0.52 0.00 0.00 57.07 56.07 1mim s TYR 48 Cb -0.12 -0.13 0.06 0.00 0.38 0.00 0.00 41.96 42.16 1mim s TYR 48 CO 0.21 -0.51 0.67 -0.25 -1.52 0.00 0.00 175.55 174.15 1mim n ASP 49 N -0.03 -2.15 0.00 -0.18 8.00 -1.11 -1.17 116.55 119.91 1mim n ASP 49 Ca -0.15 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.42 1mim n ASP 49 Cb 0.62 -3.28 0.00 0.00 -0.02 0.00 0.00 41.12 38.44 1mim n ASP 49 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1mim n THR 50 N -4.44 0.00 -0.93 -3.53 -1.04 0.38 -4.25 114.28 100.47 1mim n THR 50 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1mim n THR 50 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 1mim n THR 50 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1mim n SER 51 N 0.00 0.00 -4.69 8.00 3.41 -0.83 -2.51 113.62 117.00 1mim n SER 51 Ca 0.00 -0.46 -0.40 0.00 -0.26 0.00 0.00 58.87 57.74 1mim n SER 51 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1mim n SER 51 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1mim s LYS 52 N 0.00 4.33 0.21 4.33 3.01 -0.32 -4.52 119.74 126.77 1mim s LYS 52 Ca 0.00 0.85 -0.23 0.00 -1.01 0.00 0.00 55.97 55.58 1mim s LYS 52 Cb 0.00 -3.52 -0.08 0.00 -1.01 0.00 0.00 37.83 33.21 1mim s LYS 52 CO 0.00 -0.15 0.76 -0.51 0.51 0.00 0.00 175.35 175.96 1mim s LEU 53 N 1.55 4.45 0.00 3.17 1.43 -1.26 -0.73 118.68 127.28 1mim s LEU 53 Ca 0.35 1.55 -0.09 0.00 -1.03 0.00 0.00 54.13 54.91 1mim s LEU 53 Cb -0.17 -3.49 0.13 0.00 0.03 0.00 0.00 46.19 42.69 1mim s LEU 53 CO 0.14 0.10 0.45 0.00 0.23 0.00 0.00 176.35 177.27 1mim n ALA 54 N 1.08 -1.49 -3.05 4.21 0.00 -0.49 -4.94 120.51 115.84 1mim n ALA 54 Ca -0.03 -0.67 -0.44 0.00 0.00 0.00 0.00 53.44 52.29 1mim n ALA 54 Cb 0.50 -0.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 1mim n ALA 54 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1mim s SER 55 N -2.71 6.19 0.00 0.00 0.01 -1.26 -3.20 113.70 112.73 1mim s SER 55 Ca 0.29 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 56.21 1mim s SER 55 Cb -0.03 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1mim s SER 55 CO 0.23 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.41 1mim n GLY 56 N 5.26 1.41 3.62 3.44 0.00 -1.26 -5.11 105.19 112.55 1mim n GLY 56 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1mim n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mim s VAL 57 N 0.00 3.22 0.66 1.61 1.01 -1.19 -4.92 120.40 120.78 1mim s VAL 57 Ca 0.00 0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.05 1mim s VAL 57 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1mim s VAL 57 CO 0.00 -0.12 1.18 -2.84 0.00 0.00 0.00 175.10 173.32 1mim s PRO 58 N 5.50 2.61 0.60 2.72 0.02 -1.26 -4.85 135.00 140.34 1mim s PRO 58 Ca 0.89 1.69 0.28 0.00 0.02 0.00 0.00 61.00 63.88 1mim s PRO 58 Cb -0.32 -1.90 1.10 0.00 0.02 0.00 0.00 34.50 33.41 1mim s PRO 58 CO 0.35 -1.45 1.47 0.00 -0.33 0.00 0.00 177.00 177.04 1mim h ALA 59 N 0.22 2.81 0.00 -1.55 0.00 -2.00 -0.95 119.26 117.79 1mim h ALA 59 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1mim h ALA 59 Cb 1.28 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1mim h ALA 59 CO 0.53 -1.52 0.00 0.07 0.00 0.00 0.00 179.25 178.33 1mim h ARG 60 N 0.00 0.00 -6.79 0.00 0.11 -1.95 -3.45 114.38 102.30 1mim h ARG 60 Ca 0.44 0.00 -0.49 0.00 0.10 0.00 0.00 59.98 60.03 1mim h ARG 60 Cb 2.52 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.59 1mim h ARG 60 CO -0.00 0.00 0.11 -0.06 0.10 0.00 0.00 179.97 180.12 1mim s PHE 61 N -3.32 3.42 -0.29 4.08 0.08 -0.36 -2.54 117.98 119.04 1mim s PHE 61 Ca 0.06 1.15 -0.02 0.00 0.12 0.00 0.00 56.93 58.24 1mim s PHE 61 Cb 0.09 -2.50 0.18 0.00 -0.57 0.00 0.00 43.02 40.23 1mim s PHE 61 CO 0.52 -0.00 0.58 -1.12 -0.10 0.00 0.00 175.22 175.10 1mim s SER 62 N -2.68 -1.22 0.56 1.36 0.01 -0.73 -4.99 113.70 106.01 1mim s SER 62 Ca 0.53 0.84 -0.14 0.00 1.31 0.00 0.00 55.95 58.49 1mim s SER 62 Cb -0.10 2.07 -0.06 0.00 0.21 0.00 0.00 66.02 68.13 1mim s SER 62 CO 0.24 -0.26 1.01 -0.83 0.41 0.00 0.00 173.24 173.80 1mim s GLY 63 N 2.83 1.91 -0.17 3.44 0.00 -1.26 -2.65 107.32 111.42 1mim s GLY 63 Ca 0.19 0.08 -0.31 0.00 0.00 0.00 0.00 44.72 44.68 1mim s GLY 63 CO -0.20 0.36 1.11 -1.35 0.00 0.00 0.00 173.10 173.02 1mim s SER 64 N -3.49 -0.24 0.00 1.64 1.04 -1.05 -4.64 113.70 106.97 1mim s SER 64 Ca 0.58 0.15 0.00 0.00 0.48 0.00 0.00 55.95 57.15 1mim s SER 64 Cb -0.11 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1mim s SER 64 CO 0.40 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1mim n GLY 65 N 0.28 2.78 3.47 7.32 0.00 -1.26 -1.70 105.19 116.09 1mim n GLY 65 Ca -0.05 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 1mim n GLY 65 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mim s SER 66 N 0.00 -0.67 0.00 1.61 0.01 -0.46 -4.92 113.70 109.27 1mim s SER 66 Ca 0.00 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.45 1mim s SER 66 Cb 0.00 1.13 0.00 0.00 0.21 0.00 0.00 66.02 67.36 1mim s SER 66 CO 0.00 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1mim n GLY 67 N 3.53 1.04 0.00 3.44 0.00 -1.26 -2.35 105.19 109.60 1mim n GLY 67 Ca -0.18 0.47 0.05 0.00 0.00 0.00 0.00 46.02 46.37 1mim n GLY 67 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mim n THR 68 N 0.00 0.00 -3.88 2.61 -1.04 -1.26 -0.86 114.28 109.84 1mim n THR 68 Ca 0.00 -0.25 -0.20 0.00 -2.04 0.00 0.00 64.05 61.56 1mim n THR 68 Cb 0.00 0.66 -0.17 0.00 -1.82 0.00 0.00 70.33 69.00 1mim n THR 68 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1mim s SER 69 N -2.57 1.02 0.33 8.00 0.01 -0.99 -0.38 113.70 119.13 1mim s SER 69 Ca 0.00 -0.05 0.08 0.00 1.31 0.00 0.00 55.95 57.29 1mim s SER 69 Cb 0.08 -0.33 -0.07 0.00 0.21 0.00 0.00 66.02 65.91 1mim s SER 69 CO 0.44 -0.14 -0.05 -0.31 0.41 0.00 0.00 173.24 173.59 1mim s TYR 70 N 1.48 2.24 0.01 2.43 1.51 -1.03 -1.36 117.35 122.62 1mim s TYR 70 Ca -0.03 -0.64 -0.20 0.00 -1.01 0.00 0.00 57.07 55.19 1mim s TYR 70 Cb -0.13 -1.36 0.04 0.00 -0.11 0.00 0.00 41.96 40.40 1mim s TYR 70 CO -0.03 0.40 0.44 -1.12 -1.11 0.00 0.00 175.55 174.13 1mim s SER 71 N -3.56 -0.34 -0.08 2.29 0.01 -0.69 -2.70 113.70 108.63 1mim s SER 71 Ca 0.32 0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.76 1mim s SER 71 Cb 0.05 0.42 0.02 0.00 0.21 0.00 0.00 66.02 66.71 1mim s SER 71 CO 0.15 -0.60 -0.11 -0.22 0.41 0.00 0.00 173.24 172.88 1mim s LEU 72 N -1.67 1.52 0.05 2.44 0.20 0.44 -3.15 118.68 118.51 1mim s LEU 72 Ca -0.09 -0.29 0.09 0.00 0.69 0.00 0.00 54.13 54.53 1mim s LEU 72 Cb -0.02 -0.82 -0.03 0.00 -0.43 0.00 0.00 46.19 44.90 1mim s LEU 72 CO 0.02 -0.01 -0.26 -0.89 -0.29 0.00 0.00 176.35 174.91 1mim s THR 73 N 0.94 2.13 -0.05 3.68 2.01 -1.08 -0.43 115.64 122.84 1mim s THR 73 Ca -0.09 -1.41 0.06 0.00 0.31 0.00 0.00 61.69 60.55 1mim s THR 73 Cb -0.15 -1.83 -0.02 0.00 0.01 0.00 0.00 72.50 70.51 1mim s THR 73 CO 0.00 0.35 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.43 1mim s ILE 74 N -0.82 2.36 -0.13 1.82 1.01 -0.03 -1.78 121.20 123.62 1mim s ILE 74 Ca 0.12 -0.97 -0.14 0.00 0.00 0.00 0.00 60.65 59.66 1mim s ILE 74 Cb -0.10 -1.87 -0.12 0.00 0.01 0.00 0.00 42.46 40.38 1mim s ILE 74 CO 0.02 0.57 0.25 0.77 0.00 0.00 0.00 174.94 176.56 1mim h SER 75 N 5.79 0.00 -3.81 3.58 4.64 -1.78 -2.36 113.55 119.60 1mim h SER 75 Ca -0.38 -0.39 -0.67 0.00 -0.47 0.00 0.00 61.79 59.88 1mim h SER 75 Cb 1.16 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.89 1mim h SER 75 CO 0.48 0.84 -0.76 -0.55 -0.87 0.00 0.00 176.83 175.98 1mim s SER 76 N -5.98 4.63 0.30 4.97 0.15 -1.25 -3.65 113.70 112.87 1mim s SER 76 Ca -0.13 -1.46 -0.29 0.00 0.70 0.00 0.00 55.95 54.77 1mim s SER 76 Cb 0.00 -1.61 -0.11 0.00 -1.71 0.00 0.00 66.02 62.59 1mim s SER 76 CO 0.34 -0.24 1.49 -0.32 1.20 0.00 0.00 173.24 175.71 1mim s MET 77 N 1.12 4.19 0.36 5.44 1.75 0.32 -4.72 119.30 127.76 1mim s MET 77 Ca -0.05 2.45 0.08 0.00 -1.25 0.00 0.00 55.69 56.92 1mim s MET 77 Cb -0.20 -3.04 -0.05 0.00 2.84 0.00 0.00 34.83 34.38 1mim s MET 77 CO -0.04 -0.49 0.10 -2.00 -0.65 0.00 0.00 175.02 171.93 1mim s GLU 78 N -1.01 2.20 0.22 4.11 2.56 -1.26 -1.06 118.70 124.46 1mim s GLU 78 Ca 0.58 -1.73 -0.03 0.00 0.00 0.00 0.00 54.97 53.78 1mim s GLU 78 Cb -0.45 -2.01 0.21 0.00 2.00 0.00 0.00 34.13 33.88 1mim s GLU 78 CO 0.51 0.05 1.63 0.00 -0.56 0.00 0.00 175.26 176.88 1mim h ALA 79 N 1.62 0.88 0.00 6.30 0.00 -1.98 -2.95 119.26 123.14 1mim h ALA 79 Ca -0.43 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1mim h ALA 79 Cb 1.25 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1mim h ALA 79 CO 0.67 0.63 0.00 -0.85 0.00 0.00 0.00 179.25 179.70 1mim n GLU 80 N -4.10 0.11 -0.04 0.00 0.28 -1.26 -2.43 120.64 113.20 1mim n GLU 80 Ca -0.00 0.57 0.11 0.00 -0.16 0.00 0.00 57.16 57.68 1mim n GLU 80 Cb 0.45 -1.82 0.47 0.00 1.43 0.00 0.00 31.44 31.97 1mim n GLU 80 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1mim n ASP 81 N -2.05 1.20 -4.69 -1.84 8.00 -1.11 -4.83 116.55 111.23 1mim n ASP 81 Ca -0.01 -1.57 -0.42 0.00 0.71 0.00 0.00 54.79 53.51 1mim n ASP 81 Cb 0.05 -0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 1mim n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mim s ALA 82 N -1.88 3.40 0.01 2.24 0.00 -1.02 -4.90 121.76 119.61 1mim s ALA 82 Ca 0.33 0.31 -0.09 0.00 0.00 0.00 0.00 51.96 52.51 1mim s ALA 82 Cb 0.17 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.96 1mim s ALA 82 CO 0.27 -0.56 0.39 0.00 0.00 0.00 0.00 175.76 175.87 1mim n ALA 83 N 4.90 -1.09 -2.65 0.00 0.00 -1.11 -4.90 120.51 115.66 1mim n ALA 83 Ca 0.07 -0.27 -0.34 0.00 0.00 0.00 0.00 53.44 52.90 1mim n ALA 83 Cb 0.49 0.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.91 1mim n ALA 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1mim s THR 84 N -2.18 3.80 -0.23 0.00 2.01 -0.15 -0.59 115.64 118.29 1mim s THR 84 Ca 0.09 -0.44 -0.02 0.00 0.31 0.00 0.00 61.69 61.63 1mim s THR 84 Cb -0.00 -2.57 0.01 0.00 0.01 0.00 0.00 72.50 69.95 1mim s THR 84 CO 0.00 0.59 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.13 1mim s TYR 85 N -0.65 2.98 -0.06 4.92 2.02 -0.38 0.02 117.35 126.20 1mim s TYR 85 Ca 0.10 -1.33 0.02 0.00 -0.37 0.00 0.00 57.07 55.49 1mim s TYR 85 Cb -0.12 -2.06 -0.03 0.00 -0.40 0.00 0.00 41.96 39.36 1mim s TYR 85 CO 0.02 -0.67 -0.12 0.71 -1.57 0.00 0.00 175.55 173.91 1mim s TYR 86 N 1.38 2.78 0.27 2.71 2.02 0.16 -2.47 117.35 124.20 1mim s TYR 86 Ca 0.03 -0.16 0.02 0.00 -0.37 0.00 0.00 57.07 56.59 1mim s TYR 86 Cb -0.15 -1.68 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 1mim s TYR 86 CO -0.05 0.18 0.44 0.00 -1.57 0.00 0.00 175.55 174.55 1mim s HIS 88 N -2.08 0.14 0.04 0.00 2.46 -0.01 -1.32 115.29 114.51 1mim s HIS 88 Ca 0.37 -0.28 0.04 0.00 0.47 0.00 0.00 55.06 55.66 1mim s HIS 88 Cb -0.10 -0.10 -0.02 0.00 -0.13 0.00 0.00 32.58 32.23 1mim s HIS 88 CO 0.32 -0.12 -0.11 1.14 -2.47 0.00 0.00 174.74 173.50 1mim s GLN 89 N -0.84 0.72 0.02 2.88 1.03 -1.15 -1.19 119.66 121.14 1mim s GLN 89 Ca -0.09 -0.68 0.23 0.00 0.04 0.00 0.00 55.36 54.86 1mim s GLN 89 Cb -0.06 -0.65 0.17 0.00 0.03 0.00 0.00 33.01 32.51 1mim s GLN 89 CO -0.00 0.15 1.16 0.54 -2.54 0.00 0.00 175.29 174.60 1mim n ARG 90 N 1.90 0.11 0.12 9.60 1.74 -1.26 -3.21 116.66 125.66 1mim n ARG 90 Ca -0.19 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.84 1mim n ARG 90 Cb 0.55 -1.54 -0.02 0.00 -1.02 0.00 0.00 32.46 30.43 1mim n ARG 90 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1mim h SER 91 N 0.00 -0.29 0.07 0.55 0.02 -1.97 -3.34 113.55 108.60 1mim h SER 91 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1mim h SER 91 Cb 0.59 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1mim h SER 91 CO 0.00 -0.09 -0.01 -1.20 -1.14 0.00 0.00 176.83 174.39 1mim n SER 92 N -3.57 0.44 -0.81 3.07 7.64 -1.26 -4.89 113.62 114.24 1mim n SER 92 Ca -0.04 -1.03 -0.09 0.00 1.01 0.00 0.00 58.87 58.72 1mim n SER 92 Cb 0.13 -0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.27 1mim n SER 92 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1mim n TYR 93 N -0.71 -0.09 -0.71 1.43 4.02 -1.20 -4.71 117.16 115.19 1mim n TYR 93 Ca 0.21 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.78 1mim n TYR 93 Cb 0.20 -2.47 0.15 0.00 -0.02 0.00 0.00 39.34 37.20 1mim n TYR 93 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1mim n THR 94 N -1.94 0.00 -4.27 -0.72 -1.04 -1.24 -4.78 114.28 100.28 1mim n THR 94 Ca -0.09 -0.08 -0.15 0.00 -2.04 0.00 0.00 64.05 61.69 1mim n THR 94 Cb 0.50 -0.87 -0.10 0.00 -1.82 0.00 0.00 70.33 68.05 1mim n THR 94 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1mim s PHE 95 N -2.55 1.39 0.63 -1.42 0.40 -1.26 -2.91 117.98 112.25 1mim s PHE 95 Ca 0.63 -0.70 -0.02 0.00 -0.60 0.00 0.00 56.93 56.24 1mim s PHE 95 Cb -0.22 -0.68 0.05 0.00 0.51 0.00 0.00 43.02 42.67 1mim s PHE 95 CO 0.61 0.16 0.89 0.20 0.70 0.00 0.00 175.22 177.78 1mim s GLY 96 N -3.19 1.77 0.22 4.36 0.00 -0.44 -4.54 107.32 105.50 1mim s GLY 96 Ca 0.18 -1.19 0.16 0.00 0.00 0.00 0.00 44.72 43.87 1mim s GLY 96 CO 0.02 -0.84 1.50 0.61 0.00 0.00 0.00 173.10 174.40 1mim n GLY 97 N -2.62 -0.85 0.00 0.20 0.00 -1.26 -4.59 105.19 96.08 1mim n GLY 97 Ca 0.08 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1mim n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mim n GLY 98 N -1.08 1.72 2.73 -0.02 0.00 -1.26 -5.01 105.19 102.28 1mim n GLY 98 Ca -0.00 -1.74 -0.26 0.00 0.00 0.00 0.00 46.02 44.01 1mim n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mim s THR 99 N -2.41 0.42 0.24 2.61 2.01 -1.03 -4.49 115.64 112.98 1mim s THR 99 Ca 0.00 -0.35 -0.22 0.00 0.31 0.00 0.00 61.69 61.42 1mim s THR 99 Cb 0.00 -0.86 -0.09 0.00 0.01 0.00 0.00 72.50 71.56 1mim s THR 99 CO 0.00 -0.11 0.78 -0.75 -0.69 0.00 0.00 174.62 173.85 1mim s LYS 100 N 1.92 4.38 -0.10 4.92 2.20 -0.08 -1.24 119.74 131.73 1mim s LYS 100 Ca 0.01 1.02 -0.00 0.00 -0.36 0.00 0.00 55.97 56.64 1mim s LYS 100 Cb -0.16 -2.92 0.02 0.00 -1.51 0.00 0.00 37.83 33.27 1mim s LYS 100 CO -0.07 0.39 -0.08 -1.17 -0.36 0.00 0.00 175.35 174.06 1mim s LEU 101 N -1.87 1.24 0.29 5.43 2.96 0.24 -1.90 118.68 125.07 1mim s LEU 101 Ca 0.44 -0.30 0.09 0.00 -0.22 0.00 0.00 54.13 54.14 1mim s LEU 101 Cb -0.18 -0.83 -0.04 0.00 0.50 0.00 0.00 46.19 45.64 1mim s LEU 101 CO 0.22 -0.10 0.09 -1.61 -1.32 0.00 0.00 176.35 173.63 1mim s GLU 102 N 1.56 2.44 -0.08 1.98 2.02 -0.41 -2.75 118.70 123.46 1mim s GLU 102 Ca 0.02 -1.39 -0.12 0.00 0.02 0.00 0.00 54.97 53.49 1mim s GLU 102 Cb -0.13 -2.25 -0.05 0.00 0.10 0.00 0.00 34.13 31.81 1mim s GLU 102 CO -0.06 0.28 0.30 0.96 0.02 0.00 0.00 175.26 176.76 1mim s ILE 103 N -2.32 5.25 0.36 -1.63 -4.36 -1.26 -1.19 121.20 116.04 1mim s ILE 103 Ca 0.34 0.58 -0.25 0.00 -0.26 0.00 0.00 60.65 61.06 1mim s ILE 103 Cb -0.05 -3.60 -0.10 0.00 1.25 0.00 0.00 42.46 39.95 1mim s ILE 103 CO 0.22 0.53 0.98 -0.54 0.24 0.00 0.00 174.94 176.36 1mim s LYS 104 N -0.57 4.42 0.16 0.37 1.02 -0.54 -4.75 119.74 119.86 1mim s LYS 104 Ca 0.19 1.36 -0.02 0.00 0.02 0.00 0.00 55.97 57.52 1mim s LYS 104 Cb -0.14 -2.65 0.01 0.00 -0.52 0.00 0.00 37.83 34.52 1mim s LYS 104 CO 0.08 0.12 0.25 2.89 -0.92 0.00 0.00 175.35 177.77 1mim n ARG 105 N 0.23 0.35 -2.81 1.68 -4.01 -1.26 -4.57 116.66 106.28 1mim n ARG 105 Ca 0.03 -1.23 -0.35 0.00 -1.04 0.00 0.00 57.85 55.25 1mim n ARG 105 Cb 0.50 1.24 -0.07 0.00 -3.04 0.00 0.00 32.46 31.10 1mim n ARG 105 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 1mim s THR 106 N -2.61 4.29 0.18 8.89 2.01 -1.26 -4.97 115.64 122.18 1mim s THR 106 Ca 0.12 1.68 -0.32 0.00 0.31 0.00 0.00 61.69 63.48 1mim s THR 106 Cb -0.01 -3.86 -0.16 0.00 0.01 0.00 0.00 72.50 68.48 1mim s THR 106 CO 0.09 -0.02 1.02 0.52 -0.69 0.00 0.00 174.62 175.54 1mim n VAL 107 N 0.15 1.18 -3.70 3.82 0.31 -1.26 -4.69 118.33 114.13 1mim n VAL 107 Ca 0.03 -0.29 -0.12 0.00 -0.01 0.00 0.00 64.34 63.95 1mim n VAL 107 Cb 0.51 -0.65 -0.12 0.00 -0.91 0.00 0.00 33.84 32.67 1mim n VAL 107 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1mim s ALA 108 N -0.45 -0.73 0.19 3.52 0.00 -0.58 -4.89 121.76 118.82 1mim s ALA 108 Ca 0.71 1.15 -0.17 0.00 0.00 0.00 0.00 51.96 53.65 1mim s ALA 108 Cb -0.88 -0.88 -0.08 0.00 0.00 0.00 0.00 23.12 21.29 1mim s ALA 108 CO 0.55 -0.39 0.65 0.00 0.00 0.00 0.00 175.76 176.57 1mim s ALA 109 N 1.74 3.48 0.41 0.00 0.00 -1.26 -1.56 121.76 124.57 1mim s ALA 109 Ca -0.06 0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.69 1mim s ALA 109 Cb -0.11 -2.70 -0.08 0.00 0.00 0.00 0.00 23.12 20.24 1mim s ALA 109 CO -0.10 0.38 1.21 -1.25 0.00 0.00 0.00 175.76 176.00 1mim s PRO 110 N -2.00 3.97 0.14 0.00 0.04 -1.26 -4.76 135.00 131.13 1mim s PRO 110 Ca 0.41 1.93 -0.20 0.00 0.04 0.00 0.00 61.00 63.18 1mim s PRO 110 Cb -0.16 -2.65 -0.07 0.00 0.04 0.00 0.00 34.50 31.65 1mim s PRO 110 CO 0.20 -0.42 0.65 -1.12 0.04 0.00 0.00 177.00 176.35 1mim s SER 111 N -1.05 7.11 -0.18 6.66 0.01 -0.89 -4.85 113.70 120.52 1mim s SER 111 Ca 0.58 1.37 -0.03 0.00 1.31 0.00 0.00 55.95 59.18 1mim s SER 111 Cb -0.33 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 63.49 1mim s SER 111 CO 0.41 0.19 -0.06 -0.69 0.41 0.00 0.00 173.24 173.51 1mim s VAL 112 N -1.25 3.50 0.35 3.43 1.01 -1.26 -0.57 120.40 125.62 1mim s VAL 112 Ca 0.35 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.94 1mim s VAL 112 Cb -0.19 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1mim s VAL 112 CO 0.21 0.46 0.07 -0.36 0.00 0.00 0.00 175.10 175.48 1mim s PHE 113 N 0.91 2.60 -0.01 5.22 0.08 0.23 -4.94 117.98 122.08 1mim s PHE 113 Ca -0.01 -0.45 -0.03 0.00 0.12 0.00 0.00 56.93 56.56 1mim s PHE 113 Cb -0.15 -1.61 -0.00 0.00 -0.57 0.00 0.00 43.02 40.70 1mim s PHE 113 CO 0.01 0.40 0.06 -1.50 -0.10 0.00 0.00 175.22 174.08 1mim s ILE 114 N -2.51 0.05 -0.05 0.64 2.07 -1.26 -1.20 121.20 118.93 1mim s ILE 114 Ca 0.36 -0.40 0.01 0.00 -1.41 0.00 0.00 60.65 59.22 1mim s ILE 114 Cb 0.00 -0.22 0.02 0.00 0.13 0.00 0.00 42.46 42.39 1mim s ILE 114 CO 0.21 -0.22 -0.06 -0.36 -1.91 0.00 0.00 174.94 172.59 1mim s PHE 115 N -0.68 0.92 0.70 3.50 0.08 -0.07 -4.99 117.98 117.43 1mim s PHE 115 Ca -0.08 -0.29 -0.11 0.00 0.12 0.00 0.00 56.93 56.58 1mim s PHE 115 Cb -0.05 -0.76 0.01 0.00 -0.57 0.00 0.00 43.02 41.66 1mim s PHE 115 CO 0.00 -0.21 1.08 -2.14 -0.10 0.00 0.00 175.22 173.86 1mim s PRO 116 N 0.84 2.90 0.48 0.24 0.02 -1.26 -2.75 135.00 135.48 1mim s PRO 116 Ca -0.12 0.55 -0.24 0.00 0.02 0.00 0.00 61.00 61.21 1mim s PRO 116 Cb -0.15 -2.02 -0.07 0.00 0.02 0.00 0.00 34.50 32.29 1mim s PRO 116 CO 0.01 -1.02 1.35 -2.14 -0.33 0.00 0.00 177.00 174.86 1mim s PRO 117 N -5.29 3.54 0.75 5.54 0.02 -1.26 -4.89 135.00 133.41 1mim s PRO 117 Ca 0.58 2.22 -0.12 0.00 0.02 0.00 0.00 61.00 63.71 1mim s PRO 117 Cb -0.12 -2.49 0.04 0.00 0.02 0.00 0.00 34.50 31.96 1mim s PRO 117 CO 0.53 -0.87 1.12 -1.54 -0.33 0.00 0.00 177.00 175.91 1mim s SER 118 N -0.82 4.99 0.24 2.53 1.04 -1.26 -4.94 113.70 115.48 1mim s SER 118 Ca 0.65 1.04 0.05 0.00 0.48 0.00 0.00 55.95 58.17 1mim s SER 118 Cb -0.40 -1.74 0.28 0.00 0.10 0.00 0.00 66.02 64.26 1mim s SER 118 CO 0.49 -1.62 1.58 0.44 0.98 0.00 0.00 173.24 175.10 1mim h ASP 119 N -0.85 0.24 -0.57 7.02 3.32 -2.00 -2.85 116.42 120.73 1mim h ASP 119 Ca -0.46 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.42 1mim h ASP 119 Cb 1.28 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 1mim h ASP 119 CO 0.64 0.78 0.23 -0.33 -1.72 0.00 0.00 179.24 178.83 1mim h GLU 120 N 0.16 0.86 -0.56 3.56 3.07 -1.99 -0.55 114.58 119.12 1mim h GLU 120 Ca -0.00 -0.16 -0.04 0.00 -0.50 0.00 0.00 59.36 58.65 1mim h GLU 120 Cb 1.09 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.83 1mim h GLU 120 CO 0.09 0.74 0.18 0.37 -1.40 0.00 0.00 179.01 178.99 1mim h GLN 121 N 0.79 0.87 -0.55 2.33 4.15 -1.82 -3.07 115.11 117.82 1mim h GLN 121 Ca 0.19 -0.19 0.03 0.00 0.77 0.00 0.00 58.65 59.45 1mim h GLN 121 Cb 0.20 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 1mim h GLN 121 CO -0.02 0.79 0.32 -0.07 -1.93 0.00 0.00 178.83 177.93 1mim h LEU 122 N 0.79 0.52 -1.17 -2.39 3.38 -1.03 -1.61 115.31 113.79 1mim h LEU 122 Ca 0.18 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.28 1mim h LEU 122 Cb 0.28 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 1mim h LEU 122 CO -0.01 0.36 0.59 0.11 0.09 0.00 0.00 178.44 179.59 1mim h LYS 123 N 0.64 0.81 -0.99 1.13 1.57 -1.06 0.12 116.57 118.80 1mim h LYS 123 Ca 0.22 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1mim h LYS 123 Cb 0.04 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 1mim h LYS 123 CO -0.11 0.54 0.00 -1.13 -0.57 0.00 0.00 179.45 178.18 1mim n SER 124 N -4.58 1.37 0.00 0.86 3.41 -0.61 -4.88 113.62 109.20 1mim n SER 124 Ca 0.17 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 1mim n SER 124 Cb 0.39 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1mim n SER 124 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mim n GLY 125 N 0.07 0.41 3.48 5.00 0.00 0.41 -5.02 105.19 109.55 1mim n GLY 125 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1mim n GLY 125 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mim s THR 126 N -2.15 2.15 -0.06 2.61 2.01 -1.22 -0.73 115.64 118.26 1mim s THR 126 Ca 0.00 -2.25 -0.02 0.00 0.31 0.00 0.00 61.69 59.73 1mim s THR 126 Cb 0.00 -2.45 0.03 0.00 0.01 0.00 0.00 72.50 70.09 1mim s THR 126 CO 0.00 -0.32 0.06 0.00 -0.69 0.00 0.00 174.62 173.67 1mim s ALA 127 N -2.69 0.29 -0.23 7.40 0.00 0.24 -3.55 121.76 123.22 1mim s ALA 127 Ca 0.30 0.11 -0.06 0.00 0.00 0.00 0.00 51.96 52.31 1mim s ALA 127 Cb 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 1mim s ALA 127 CO 0.14 -0.57 0.02 -1.12 0.00 0.00 0.00 175.76 174.23 1mim s SER 128 N 2.15 4.83 -0.24 0.00 0.01 -1.26 -0.63 113.70 118.57 1mim s SER 128 Ca 0.05 -0.25 -0.10 0.00 1.31 0.00 0.00 55.95 56.96 1mim s SER 128 Cb -0.13 -1.85 -0.05 0.00 0.21 0.00 0.00 66.02 64.21 1mim s SER 128 CO -0.04 0.00 0.14 -0.69 0.41 0.00 0.00 173.24 173.06 1mim s VAL 129 N 1.37 5.15 -0.09 3.43 1.01 0.06 -4.22 120.40 127.11 1mim s VAL 129 Ca 0.05 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 1mim s VAL 129 Cb -0.15 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1mim s VAL 129 CO 0.01 0.35 0.03 -0.69 0.00 0.00 0.00 175.10 174.80 1mim s VAL 130 N 1.14 4.58 -0.11 2.92 1.01 -1.11 -1.22 120.40 127.61 1mim s VAL 130 Ca 0.07 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1mim s VAL 130 Cb -0.14 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.30 1mim s VAL 130 CO 0.05 0.60 -0.17 0.00 0.00 0.00 0.00 175.10 175.57 1mim s LEU 132 N 0.84 2.58 -0.40 0.00 2.96 -0.34 -1.88 118.68 122.44 1mim s LEU 132 Ca -0.09 -0.44 -0.13 0.00 -0.22 0.00 0.00 54.13 53.25 1mim s LEU 132 Cb -0.15 -1.60 0.03 0.00 0.50 0.00 0.00 46.19 44.96 1mim s LEU 132 CO 0.00 0.08 0.26 -0.76 -1.32 0.00 0.00 176.35 174.61 1mim s LEU 133 N 0.87 4.97 -0.08 -0.68 1.02 -0.66 -0.60 118.68 123.51 1mim s LEU 133 Ca -0.04 -0.98 -0.07 0.00 0.02 0.00 0.00 54.13 53.06 1mim s LEU 133 Cb -0.15 -2.10 -0.04 0.00 0.02 0.00 0.00 46.19 43.92 1mim s LEU 133 CO -0.00 -0.44 0.18 0.21 0.02 0.00 0.00 176.35 176.32 1mim s ASN 134 N 1.68 6.44 -0.12 2.29 2.47 0.27 -1.72 114.94 126.25 1mim s ASN 134 Ca 0.04 0.51 -0.11 0.00 0.42 0.00 0.00 52.86 53.72 1mim s ASN 134 Cb -0.19 -2.08 0.02 0.00 -1.45 0.00 0.00 41.25 37.54 1mim s ASN 134 CO 0.08 0.37 0.18 0.59 -3.72 0.00 0.00 177.10 174.60 1mim n ASN 135 N 1.77 -3.64 -4.23 -4.21 3.02 -1.17 -2.08 115.26 104.71 1mim n ASN 135 Ca -0.18 0.09 -0.13 0.00 -0.03 0.00 0.00 54.58 54.33 1mim n ASN 135 Cb 0.54 -0.95 -0.10 0.00 -0.61 0.00 0.00 39.78 38.66 1mim n ASN 135 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1mim s PHE 136 N -0.72 1.22 -0.22 3.10 -0.71 -0.98 -4.61 117.98 115.05 1mim s PHE 136 Ca 0.11 -1.19 -0.18 0.00 -1.04 0.00 0.00 56.93 54.63 1mim s PHE 136 Cb -0.01 -0.68 0.06 0.00 -1.21 0.00 0.00 43.02 41.18 1mim s PHE 136 CO 0.24 -0.40 0.56 -0.47 -1.34 0.00 0.00 175.22 173.81 1mim s TYR 137 N -3.87 -0.69 1.15 3.49 6.14 -0.60 -0.99 117.35 121.98 1mim s TYR 137 Ca 0.31 1.58 -0.16 0.00 0.64 0.00 0.00 57.07 59.44 1mim s TYR 137 Cb 0.07 0.29 0.26 0.00 0.42 0.00 0.00 41.96 43.00 1mim s TYR 137 CO 0.08 -0.34 1.08 -1.25 0.64 0.00 0.00 175.55 175.75 1mim s PRO 138 N 0.67 -0.80 0.55 4.97 0.04 -1.26 -1.53 135.00 137.65 1mim s PRO 138 Ca -0.03 0.26 0.33 0.00 0.04 0.00 0.00 61.00 61.60 1mim s PRO 138 Cb -0.05 -1.62 1.52 0.00 0.04 0.00 0.00 34.50 34.40 1mim s PRO 138 CO -0.04 -3.50 2.05 -0.09 0.04 0.00 0.00 177.00 175.46 1mim h ARG 139 N -2.44 0.00 -6.29 4.56 2.43 -1.98 -3.43 114.38 107.24 1mim h ARG 139 Ca -0.51 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.10 1mim h ARG 139 Cb 1.32 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.83 1mim h ARG 139 CO 0.44 0.05 1.03 -1.21 -1.51 0.00 0.00 179.97 178.78 1mim s GLU 140 N -3.85 3.94 0.04 0.20 8.01 -1.26 -4.97 118.70 120.81 1mim s GLU 140 Ca -0.01 1.54 -0.01 0.00 0.01 0.00 0.00 54.97 56.50 1mim s GLU 140 Cb 0.11 -3.93 -0.03 0.00 -4.31 0.00 0.00 34.13 25.96 1mim s GLU 140 CO 0.54 -1.10 -0.02 0.00 0.01 0.00 0.00 175.26 174.69 1mim s ALA 141 N 4.52 0.39 -0.03 5.21 0.00 -1.26 -4.65 121.76 125.93 1mim s ALA 141 Ca 0.63 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.57 1mim s ALA 141 Cb -0.22 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.16 1mim s ALA 141 CO 0.24 -0.32 -0.05 0.21 0.00 0.00 0.00 175.76 175.84 1mim s LYS 142 N -3.29 0.77 -0.13 0.00 2.20 -0.41 -4.98 119.74 113.91 1mim s LYS 142 Ca 0.01 -0.14 -0.00 0.00 -0.36 0.00 0.00 55.97 55.48 1mim s LYS 142 Cb 0.03 -0.77 0.02 0.00 -1.51 0.00 0.00 37.83 35.61 1mim s LYS 142 CO -0.08 -0.02 -0.11 0.08 -0.36 0.00 0.00 175.35 174.86 1mim s VAL 143 N 0.65 1.30 -0.04 4.02 1.01 -1.26 -0.38 120.40 125.71 1mim s VAL 143 Ca -0.09 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.48 1mim s VAL 143 Cb -0.12 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 1mim s VAL 143 CO 0.00 0.41 -0.21 -1.10 0.00 0.00 0.00 175.10 174.20 1mim s GLN 144 N 1.58 2.05 0.07 2.72 -0.21 0.64 -4.95 119.66 121.57 1mim s GLN 144 Ca 0.05 -0.76 -0.07 0.00 0.02 0.00 0.00 55.36 54.59 1mim s GLN 144 Cb -0.13 -1.81 -0.05 0.00 1.00 0.00 0.00 33.01 32.02 1mim s GLN 144 CO -0.09 0.36 0.35 -1.58 -2.12 0.00 0.00 175.29 172.20 1mim s TRP 145 N -0.19 3.55 -0.03 0.91 0.52 -1.26 -0.50 118.94 121.94 1mim s TRP 145 Ca -0.00 0.64 0.02 0.00 0.02 0.00 0.00 56.10 56.78 1mim s TRP 145 Cb -0.11 -2.05 0.01 0.00 -1.15 0.00 0.00 33.47 30.16 1mim s TRP 145 CO 0.02 0.53 -0.07 0.15 0.02 0.00 0.00 176.95 177.60 1mim s LYS 146 N -2.08 0.85 -0.15 4.98 -0.14 -0.78 -0.67 119.74 121.75 1mim s LYS 146 Ca 0.34 -0.21 0.02 0.00 -1.36 0.00 0.00 55.97 54.76 1mim s LYS 146 Cb -0.13 -0.81 0.01 0.00 -1.68 0.00 0.00 37.83 35.22 1mim s LYS 146 CO 0.19 0.03 -0.21 0.08 -0.76 0.00 0.00 175.35 174.68 1mim s VAL 147 N 0.45 2.05 -1.33 3.17 1.01 0.25 -2.70 120.40 123.30 1mim s VAL 147 Ca -0.06 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 1mim s VAL 147 Cb -0.10 -1.83 -0.00 0.00 0.00 0.00 0.00 36.38 34.45 1mim s VAL 147 CO 0.00 0.54 0.59 0.47 0.00 0.00 0.00 175.10 176.70 1mim n ASP 148 N 4.28 -1.09 -3.98 3.32 8.00 0.15 -2.78 116.55 124.44 1mim n ASP 148 Ca -0.20 -0.91 -0.39 0.00 0.71 0.00 0.00 54.79 54.00 1mim n ASP 148 Cb 0.51 -3.61 0.01 0.00 -0.02 0.00 0.00 41.12 38.02 1mim n ASP 148 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1mim n ASN 149 N -3.01 -3.58 -3.79 -2.24 3.02 -1.26 -4.99 115.26 99.42 1mim n ASN 149 Ca -0.29 -1.19 -0.13 0.00 -0.03 0.00 0.00 54.58 52.94 1mim n ASN 149 Cb 0.68 -2.27 -0.11 0.00 -0.61 0.00 0.00 39.78 37.46 1mim n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mim s ALA 150 N -3.64 -0.60 0.42 5.41 0.00 -1.12 -5.11 121.76 117.12 1mim s ALA 150 Ca 0.39 0.64 -0.22 0.00 0.00 0.00 0.00 51.96 52.78 1mim s ALA 150 Cb -0.19 -0.36 -0.11 0.00 0.00 0.00 0.00 23.12 22.46 1mim s ALA 150 CO 0.94 -0.13 0.96 -1.17 0.00 0.00 0.00 175.76 176.36 1mim s LEU 151 N 0.00 3.99 -0.03 0.00 2.96 -1.26 -0.59 118.68 123.75 1mim s LEU 151 Ca -0.01 1.74 0.03 0.00 -0.22 0.00 0.00 54.13 55.66 1mim s LEU 151 Cb -0.02 -4.46 -0.03 0.00 0.50 0.00 0.00 46.19 42.17 1mim s LEU 151 CO 0.01 -0.36 -0.10 -1.10 -1.32 0.00 0.00 176.35 173.48 1mim s GLN 152 N -3.02 2.57 -0.01 1.98 -1.52 0.16 -4.81 119.66 115.01 1mim s GLN 152 Ca 0.61 -0.67 0.01 0.00 -1.95 0.00 0.00 55.36 53.36 1mim s GLN 152 Cb -0.11 -2.48 0.00 0.00 -0.22 0.00 0.00 33.01 30.21 1mim s GLN 152 CO 0.15 0.63 -0.04 -1.54 -0.25 0.00 0.00 175.29 174.24 1mim s SER 153 N -1.02 0.60 0.00 5.90 1.04 -1.26 -4.62 113.70 114.34 1mim s SER 153 Ca 0.14 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1mim s SER 153 Cb -0.11 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.88 1mim s SER 153 CO 0.03 0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1mim n GLY 154 N 3.25 0.97 0.50 7.32 0.00 -1.26 -4.90 105.19 111.06 1mim n GLY 154 Ca -0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.92 1mim n GLY 154 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1mim n ASN 155 N 0.00 1.67 -4.45 1.61 6.94 -1.26 -5.01 115.26 114.76 1mim n ASN 155 Ca 0.00 -3.16 -0.27 0.00 -0.02 0.00 0.00 54.58 51.13 1mim n ASN 155 Cb 0.00 -0.43 -0.11 0.00 -2.36 0.00 0.00 39.78 36.88 1mim n ASN 155 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1mim s SER 156 N -2.70 3.59 -0.01 0.53 1.04 -1.26 -1.77 113.70 113.13 1mim s SER 156 Ca 0.31 -0.79 0.04 0.00 0.48 0.00 0.00 55.95 55.99 1mim s SER 156 Cb 0.30 -0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.06 1mim s SER 156 CO -0.04 0.13 -0.14 -1.10 0.98 0.00 0.00 173.24 173.07 1mim s GLN 157 N -2.61 1.11 0.24 4.02 -0.21 -0.51 -4.95 119.66 116.74 1mim s GLN 157 Ca 0.21 -0.50 0.11 0.00 0.02 0.00 0.00 55.36 55.20 1mim s GLN 157 Cb -0.08 -1.07 -0.05 0.00 1.00 0.00 0.00 33.01 32.81 1mim s GLN 157 CO 0.10 0.29 -0.18 -1.83 -2.12 0.00 0.00 175.29 171.55 1mim s GLU 158 N -0.34 1.72 -0.02 2.91 -1.05 -1.26 -2.29 118.70 118.37 1mim s GLU 158 Ca 0.05 -1.60 0.04 0.00 -0.15 0.00 0.00 54.97 53.31 1mim s GLU 158 Cb -0.05 -1.88 -0.01 0.00 -0.44 0.00 0.00 34.13 31.75 1mim s GLU 158 CO -0.00 0.37 -0.13 0.45 0.95 0.00 0.00 175.26 176.89 1mim s SER 159 N -3.16 1.59 0.10 0.83 0.15 -0.86 -4.97 113.70 107.38 1mim s SER 159 Ca 0.26 -0.25 0.10 0.00 0.70 0.00 0.00 55.95 56.77 1mim s SER 159 Cb -0.07 -0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 63.97 1mim s SER 159 CO 0.14 0.15 -0.26 -0.69 1.20 0.00 0.00 173.24 173.78 1mim s VAL 160 N -0.21 2.16 0.73 4.45 1.01 -1.26 -1.55 120.40 125.73 1mim s VAL 160 Ca 0.03 -1.62 -0.06 0.00 0.00 0.00 0.00 61.98 60.33 1mim s VAL 160 Cb -0.06 -1.90 0.10 0.00 0.00 0.00 0.00 36.38 34.51 1mim s VAL 160 CO -0.00 0.16 1.03 0.42 0.00 0.00 0.00 175.10 176.70 1mim s THR 161 N -0.99 2.24 0.32 3.92 -4.23 0.07 -4.96 115.64 112.02 1mim s THR 161 Ca 0.13 -0.36 -0.08 0.00 -1.18 0.00 0.00 61.69 60.21 1mim s THR 161 Cb -0.10 -2.89 -0.06 0.00 1.34 0.00 0.00 72.50 70.79 1mim s THR 161 CO 0.05 0.00 0.63 -0.70 -0.54 0.00 0.00 174.62 174.06 1mim s GLU 162 N -5.26 3.71 -0.19 3.99 2.56 -1.26 -4.64 118.70 117.60 1mim s GLU 162 Ca 0.63 0.21 -0.38 0.00 0.00 0.00 0.00 54.97 55.43 1mim s GLU 162 Cb -0.08 -2.55 -0.15 0.00 2.00 0.00 0.00 34.13 33.35 1mim s GLU 162 CO 0.45 0.14 1.74 0.94 -0.56 0.00 0.00 175.26 177.97 1mim n GLN 163 N -0.97 1.44 -1.56 4.30 7.27 -1.26 -4.82 117.38 121.77 1mim n GLN 163 Ca 0.00 0.53 -0.41 0.00 0.07 0.00 0.00 57.00 57.19 1mim n GLN 163 Cb 0.54 -2.25 0.02 0.00 2.41 0.00 0.00 30.24 30.96 1mim n GLN 163 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1mim n ASP 164 N 5.41 0.51 -0.03 1.69 2.03 0.32 -4.86 116.55 121.63 1mim n ASP 164 Ca 0.25 0.95 -0.15 0.00 0.52 0.00 0.00 54.79 56.37 1mim n ASP 164 Cb 0.18 -1.29 -0.10 0.00 -0.72 0.00 0.00 41.12 39.19 1mim n ASP 164 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1mim h SER 165 N 1.13 0.28 -2.75 1.67 4.64 -1.90 -2.53 113.55 114.09 1mim h SER 165 Ca -0.44 -0.65 -0.70 0.00 -0.47 0.00 0.00 61.79 59.53 1mim h SER 165 Cb 1.36 -0.08 -0.35 0.00 -0.31 0.00 0.00 62.40 63.01 1mim h SER 165 CO 0.54 0.89 0.02 0.29 -0.87 0.00 0.00 176.83 177.71 1mim n LYS 166 N -4.52 3.24 0.00 4.77 4.76 -1.26 -4.63 118.16 120.52 1mim n LYS 166 Ca -0.09 -4.58 0.00 0.00 -2.87 0.00 0.00 58.31 50.77 1mim n LYS 166 Cb 0.45 -2.39 0.00 0.00 -1.84 0.00 0.00 35.03 31.25 1mim n LYS 166 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1mim n ASP 167 N 1.41 0.00 -0.95 4.39 -0.08 -1.26 -5.03 116.55 115.04 1mim n ASP 167 Ca 0.26 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.45 1mim n ASP 167 Cb 0.37 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.82 1mim n ASP 167 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1mim n SER 168 N 0.00 -3.43 -4.75 1.67 7.64 -0.95 -4.99 113.62 108.81 1mim n SER 168 Ca 0.00 0.06 -0.27 0.00 1.01 0.00 0.00 58.87 59.66 1mim n SER 168 Cb 0.00 -2.44 -0.06 0.00 -1.01 0.00 0.00 64.21 60.70 1mim n SER 168 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1mim s THR 169 N -2.42 4.27 0.59 0.44 -4.23 -1.26 -4.66 115.64 108.36 1mim s THR 169 Ca 0.00 -1.11 0.02 0.00 -1.18 0.00 0.00 61.69 59.43 1mim s THR 169 Cb 0.00 -3.14 0.07 0.00 1.34 0.00 0.00 72.50 70.77 1mim s THR 169 CO 0.00 -0.05 0.82 -0.31 -0.54 0.00 0.00 174.62 174.54 1mim s TYR 170 N -1.65 2.28 -0.03 3.99 2.02 -0.16 -0.52 117.35 123.28 1mim s TYR 170 Ca 0.29 -0.23 -0.13 0.00 -0.37 0.00 0.00 57.07 56.63 1mim s TYR 170 Cb -0.10 -2.72 0.02 0.00 -0.40 0.00 0.00 41.96 38.76 1mim s TYR 170 CO 0.22 -1.12 0.29 -1.12 -1.57 0.00 0.00 175.55 172.25 1mim s SER 171 N -4.54 -0.19 -0.01 2.29 0.01 -1.26 -2.33 113.70 107.67 1mim s SER 171 Ca 0.60 0.15 0.02 0.00 1.31 0.00 0.00 55.95 58.04 1mim s SER 171 Cb -0.08 0.36 -0.00 0.00 0.21 0.00 0.00 66.02 66.51 1mim s SER 171 CO 0.40 -0.38 -0.06 -0.22 0.41 0.00 0.00 173.24 173.39 1mim s LEU 172 N -1.06 2.00 0.07 2.44 0.20 -0.70 -0.75 118.68 120.88 1mim s LEU 172 Ca -0.11 -0.12 0.08 0.00 0.69 0.00 0.00 54.13 54.67 1mim s LEU 172 Cb -0.05 -0.33 -0.03 0.00 -0.43 0.00 0.00 46.19 45.35 1mim s LEU 172 CO 0.03 0.08 -0.22 -0.94 -0.29 0.00 0.00 176.35 175.01 1mim s SER 173 N -0.13 2.66 -0.09 3.68 1.04 -0.60 -1.66 113.70 118.61 1mim s SER 173 Ca 0.02 -0.60 0.02 0.00 0.48 0.00 0.00 55.95 55.87 1mim s SER 173 Cb -0.03 -0.20 0.01 0.00 0.10 0.00 0.00 66.02 65.91 1mim s SER 173 CO -0.00 0.14 -0.16 -0.55 0.98 0.00 0.00 173.24 173.66 1mim s SER 174 N -1.49 2.27 -0.07 7.02 0.15 -0.79 -2.03 113.70 118.76 1mim s SER 174 Ca 0.08 -0.40 0.04 0.00 0.70 0.00 0.00 55.95 56.37 1mim s SER 174 Cb -0.09 -1.03 -0.02 0.00 -1.71 0.00 0.00 66.02 63.16 1mim s SER 174 CO 0.03 0.05 -0.17 -0.89 1.20 0.00 0.00 173.24 173.46 1mim s THR 175 N 0.71 2.76 -0.17 6.45 2.01 -0.97 -1.40 115.64 125.03 1mim s THR 175 Ca -0.13 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.03 1mim s THR 175 Cb -0.16 -2.07 -0.01 0.00 0.01 0.00 0.00 72.50 70.26 1mim s THR 175 CO 0.03 0.57 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.23 1mim s LEU 176 N -0.35 2.86 -0.09 4.42 0.20 -0.36 -1.43 118.68 123.93 1mim s LEU 176 Ca 0.03 -0.33 0.03 0.00 0.69 0.00 0.00 54.13 54.55 1mim s LEU 176 Cb -0.12 -1.69 -0.01 0.00 -0.43 0.00 0.00 46.19 43.94 1mim s LEU 176 CO 0.02 0.09 -0.20 -0.89 -0.29 0.00 0.00 176.35 175.08 1mim s THR 177 N 0.83 2.48 0.17 3.68 2.01 -0.73 -0.76 115.64 123.33 1mim s THR 177 Ca -0.03 -0.89 0.06 0.00 0.31 0.00 0.00 61.69 61.15 1mim s THR 177 Cb -0.15 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 1mim s THR 177 CO 0.01 0.56 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.62 1mim s LEU 178 N 0.06 2.54 0.72 4.42 1.43 0.20 -4.88 118.68 123.16 1mim s LEU 178 Ca -0.08 -1.01 -0.11 0.00 -1.03 0.00 0.00 54.13 51.90 1mim s LEU 178 Cb -0.15 -0.49 0.02 0.00 0.03 0.00 0.00 46.19 45.60 1mim s LEU 178 CO 0.05 -0.26 1.07 -0.94 0.23 0.00 0.00 176.35 176.51 1mim s SER 179 N -3.22 5.04 0.24 2.29 1.04 -1.26 0.79 113.70 118.61 1mim s SER 179 Ca 0.19 1.73 -0.07 0.00 0.48 0.00 0.00 55.95 58.28 1mim s SER 179 Cb 0.01 -2.51 0.23 0.00 0.10 0.00 0.00 66.02 63.85 1mim s SER 179 CO 0.03 -1.67 1.90 0.50 0.98 0.00 0.00 173.24 174.98 1mim h LYS 180 N -0.79 1.25 -0.33 4.02 3.11 -1.19 -0.81 116.57 121.84 1mim h LYS 180 Ca -0.44 -0.10 0.06 0.00 -2.81 0.00 0.00 60.65 57.36 1mim h LYS 180 Cb 1.22 -0.27 -0.06 0.00 -1.00 0.00 0.00 32.23 32.12 1mim h LYS 180 CO 0.54 0.86 -0.03 0.00 -2.81 0.00 0.00 179.45 178.01 1mim h ALA 181 N 1.32 0.27 -0.32 5.00 0.00 -1.92 -1.12 119.26 122.50 1mim h ALA 181 Ca 0.34 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.23 1mim h ALA 181 Cb -0.09 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1mim h ALA 181 CO -0.07 -0.42 -0.30 -0.44 0.00 0.00 0.00 179.25 178.01 1mim h ASP 182 N 0.06 0.69 -0.97 0.00 3.32 -1.78 -2.41 116.42 115.34 1mim h ASP 182 Ca 0.16 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 56.97 1mim h ASP 182 Cb 0.23 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 1mim h ASP 182 CO -0.29 0.95 0.63 0.22 -1.72 0.00 0.00 179.24 179.03 1mim h TYR 183 N 0.57 1.19 0.00 4.55 3.20 -0.01 -2.12 116.97 124.36 1mim h TYR 183 Ca 0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1mim h TYR 183 Cb 0.80 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1mim h TYR 183 CO 0.04 0.70 0.00 0.39 -1.64 0.00 0.00 178.16 177.65 1mim n GLU 184 N -4.45 0.10 0.07 1.82 1.02 -0.55 -2.29 120.64 116.36 1mim n GLU 184 Ca 0.13 0.13 0.13 0.00 -0.02 0.00 0.00 57.16 57.52 1mim n GLU 184 Cb 0.08 -1.63 0.42 0.00 -0.02 0.00 0.00 31.44 30.29 1mim n GLU 184 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1mim n LYS 185 N -1.81 0.20 -4.49 3.49 5.02 -0.80 -4.92 118.16 114.86 1mim n LYS 185 Ca 0.06 0.15 -0.24 0.00 -2.02 0.00 0.00 58.31 56.25 1mim n LYS 185 Cb 0.35 -1.71 -0.10 0.00 -0.02 0.00 0.00 35.03 33.54 1mim n LYS 185 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1mim s HIS 186 N -3.08 2.25 -0.05 2.13 3.76 -0.97 -5.07 115.29 114.26 1mim s HIS 186 Ca 0.11 -0.46 0.01 0.00 -0.15 0.00 0.00 55.06 54.57 1mim s HIS 186 Cb 0.14 -1.15 -0.04 0.00 1.11 0.00 0.00 32.58 32.64 1mim s HIS 186 CO 0.60 0.59 -0.03 1.17 -0.85 0.00 0.00 174.74 176.22 1mim n LYS 187 N -0.67 1.12 -3.95 1.40 3.00 -1.26 -4.69 118.16 113.11 1mim n LYS 187 Ca -0.05 0.02 -0.35 0.00 -0.00 0.00 0.00 58.31 57.93 1mim n LYS 187 Cb 0.62 -1.11 -0.14 0.00 0.00 0.00 0.00 35.03 34.40 1mim n LYS 187 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1mim s VAL 188 N -2.10 3.50 -0.14 3.15 1.01 -1.26 0.49 120.40 125.04 1mim s VAL 188 Ca -0.06 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1mim s VAL 188 Cb 0.02 -2.59 -0.00 0.00 0.00 0.00 0.00 36.38 33.80 1mim s VAL 188 CO 0.14 0.42 -0.16 -0.31 0.00 0.00 0.00 175.10 175.19 1mim s TYR 189 N 1.38 2.75 0.02 5.22 1.51 -0.60 -0.68 117.35 126.96 1mim s TYR 189 Ca 0.05 -0.94 0.01 0.00 -1.01 0.00 0.00 57.07 55.17 1mim s TYR 189 Cb -0.14 -1.85 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 1mim s TYR 189 CO -0.02 -0.40 -0.04 0.00 -1.11 0.00 0.00 175.55 173.99 1mim s ALA 190 N 0.62 0.26 -0.23 3.71 0.00 -1.10 -1.54 121.76 123.48 1mim s ALA 190 Ca -0.09 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1mim s ALA 190 Cb -0.16 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.02 1mim s ALA 190 CO 0.03 -0.03 -0.10 0.00 0.00 0.00 0.00 175.76 175.66 1mim s GLU 192 N 1.30 3.76 -0.21 0.00 2.12 0.34 -0.76 118.70 125.25 1mim s GLU 192 Ca 0.01 -0.45 -0.03 0.00 0.36 0.00 0.00 54.97 54.86 1mim s GLU 192 Cb -0.16 -3.18 -0.01 0.00 0.26 0.00 0.00 34.13 31.04 1mim s GLU 192 CO -0.06 0.06 -0.05 0.08 -0.54 0.00 0.00 175.26 174.75 1mim s VAL 193 N 0.91 3.35 -0.08 3.70 1.01 -0.22 -0.26 120.40 128.80 1mim s VAL 193 Ca 0.03 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 1mim s VAL 193 Cb -0.14 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 1mim s VAL 193 CO 0.02 0.44 -0.05 -0.89 0.00 0.00 0.00 175.10 174.63 1mim s THR 194 N 1.30 3.89 -0.28 3.92 2.01 0.49 -2.53 115.64 124.44 1mim s THR 194 Ca 0.04 -0.40 -0.20 0.00 0.31 0.00 0.00 61.69 61.43 1mim s THR 194 Cb -0.14 -2.61 0.12 0.00 0.01 0.00 0.00 72.50 69.87 1mim s THR 194 CO -0.02 0.59 0.92 -2.28 -0.69 0.00 0.00 174.62 173.14 1mim s HIS 195 N -0.74 -0.64 0.10 4.92 2.46 -1.26 -1.28 115.29 118.85 1mim s HIS 195 Ca 0.11 1.41 0.07 0.00 0.47 0.00 0.00 55.06 57.12 1mim s HIS 195 Cb -0.11 0.39 0.35 0.00 -0.13 0.00 0.00 32.58 33.07 1mim s HIS 195 CO 0.02 -0.31 0.38 1.04 -2.47 0.00 0.00 174.74 173.39 1mim n GLN 196 N 3.12 -0.01 -0.60 2.88 6.02 -1.26 -1.39 117.38 126.14 1mim n GLN 196 Ca -0.16 0.31 0.08 0.00 -0.01 0.00 0.00 57.00 57.22 1mim n GLN 196 Cb 0.57 -0.60 0.33 0.00 1.02 0.00 0.00 30.24 31.56 1mim n GLN 196 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mim n GLY 197 N -1.10 2.49 3.11 1.08 0.00 -1.26 -4.83 105.19 104.67 1mim n GLY 197 Ca 0.09 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 1mim n GLY 197 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mim s LEU 198 N -1.84 2.00 0.24 0.99 2.96 -0.48 -4.49 118.68 118.06 1mim s LEU 198 Ca 0.46 -0.58 0.10 0.00 -0.22 0.00 0.00 54.13 53.89 1mim s LEU 198 Cb 0.31 -1.37 0.23 0.00 0.50 0.00 0.00 46.19 45.85 1mim s LEU 198 CO 0.20 0.02 1.53 0.28 -1.32 0.00 0.00 176.35 177.06 1mim h SER 199 N 7.72 0.00 -5.00 3.68 0.02 -1.88 -3.45 113.55 114.64 1mim h SER 199 Ca -0.39 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.39 1mim h SER 199 Cb 1.16 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.50 1mim h SER 199 CO 0.58 0.69 -0.70 -0.44 -1.14 0.00 0.00 176.83 175.82 1mim s SER 200 N -6.77 0.33 0.19 3.07 0.01 -1.26 -5.13 113.70 104.14 1mim s SER 200 Ca -0.00 -0.58 -0.30 0.00 1.31 0.00 0.00 55.95 56.37 1mim s SER 200 Cb 0.12 0.11 -0.09 0.00 0.21 0.00 0.00 66.02 66.37 1mim s SER 200 CO 0.77 -0.34 1.40 -2.16 0.41 0.00 0.00 173.24 173.32 1mim s PRO 201 N -1.86 4.32 0.29 12.44 0.04 -1.26 -5.01 135.00 143.96 1mim s PRO 201 Ca -0.12 2.17 -0.24 0.00 0.04 0.00 0.00 61.00 62.85 1mim s PRO 201 Cb -0.07 -3.17 -0.09 0.00 0.04 0.00 0.00 34.50 31.20 1mim s PRO 201 CO -0.02 -0.38 0.87 0.08 0.04 0.00 0.00 177.00 177.58 1mim s VAL 202 N 0.40 4.34 0.03 -0.36 1.01 -1.05 -4.86 120.40 119.90 1mim s VAL 202 Ca 0.61 1.63 0.05 0.00 0.00 0.00 0.00 61.98 64.27 1mim s VAL 202 Cb -0.39 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 1mim s VAL 202 CO 0.37 0.15 -0.14 -0.89 0.00 0.00 0.00 175.10 174.59 1mim s THR 203 N -1.61 1.15 -0.01 3.92 2.01 -1.26 -1.06 115.64 118.78 1mim s THR 203 Ca 0.48 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.56 1mim s THR 203 Cb -0.18 -1.02 0.01 0.00 0.01 0.00 0.00 72.50 71.33 1mim s THR 203 CO 0.22 0.09 -0.01 -0.75 -0.69 0.00 0.00 174.62 173.48 1mim s LYS 204 N -0.96 0.21 0.11 4.92 2.47 0.06 -4.94 119.74 121.60 1mim s LYS 204 Ca 0.03 0.01 -0.08 0.00 -1.56 0.00 0.00 55.97 54.37 1mim s LYS 204 Cb -0.07 -0.30 -0.01 0.00 -1.46 0.00 0.00 37.83 35.99 1mim s LYS 204 CO 0.01 -0.05 0.20 -1.54 0.16 0.00 0.00 175.35 174.14 1mim s SER 205 N 0.49 0.12 0.08 1.43 1.04 -1.26 -0.01 113.70 115.59 1mim s SER 205 Ca -0.05 -0.77 -0.08 0.00 0.48 0.00 0.00 55.95 55.54 1mim s SER 205 Cb -0.07 0.36 -0.00 0.00 0.10 0.00 0.00 66.02 66.41 1mim s SER 205 CO -0.01 -0.78 0.17 0.72 0.98 0.00 0.00 173.24 174.33 1mim s PHE 206 N -3.91 0.17 -0.09 5.02 -0.71 -0.59 -5.00 117.98 112.87 1mim s PHE 206 Ca 0.10 -0.60 0.02 0.00 -1.04 0.00 0.00 56.93 55.42 1mim s PHE 206 Cb 0.05 -0.08 -0.02 0.00 -1.21 0.00 0.00 43.02 41.76 1mim s PHE 206 CO -0.07 -0.52 -0.16 -0.80 -1.34 0.00 0.00 175.22 172.33 1mim s ASN 207 N -2.80 3.77 0.30 1.98 -0.87 -1.26 -1.55 114.94 114.50 1mim s ASN 207 Ca 0.04 -0.34 0.05 0.00 -1.57 0.00 0.00 52.86 51.04 1mim s ASN 207 Cb 0.05 -1.25 0.75 0.00 -0.02 0.00 0.00 41.25 40.77 1mim s ASN 207 CO -0.10 0.23 1.75 -0.09 -2.57 0.00 0.00 177.10 176.31 1mim h ARG 208 N 6.22 0.60 0.30 -0.60 2.43 -0.24 -2.15 114.38 120.94 1mim h ARG 208 Ca -0.32 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 1mim h ARG 208 Cb 1.19 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1mim h ARG 208 CO 0.52 0.40 -0.14 0.78 -1.51 0.00 0.00 179.97 180.02 1mim h GLY 209 N 0.62 -0.42 0.52 2.80 0.00 -1.91 -3.52 103.07 101.15 1mim h GLY 209 Ca 0.58 0.15 0.00 0.00 0.00 0.00 0.00 47.33 48.06 1mim h GLY 209 CO -0.43 -0.15 0.00 1.18 0.00 0.00 0.00 176.54 177.14