#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cim s VAL 5 N 0.00 1.92 0.00 0.00 -7.23 -0.27 -2.10 120.40 112.73 3cim s VAL 5 Ca 0.00 -1.20 0.07 0.00 -1.81 0.00 0.00 61.98 59.04 3cim s VAL 5 Cb 0.00 -1.63 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 3cim s VAL 5 CO 0.00 0.39 -0.21 -0.83 -0.31 0.00 0.00 175.10 174.14 3cim s GLY 6 N -0.95 1.07 -0.03 2.32 0.00 -0.24 -1.00 107.32 108.48 3cim s GLY 6 Ca 0.10 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 43.87 3cim s GLY 6 CO 0.01 -0.84 -0.07 1.06 0.00 0.00 0.00 173.10 173.26 3cim s MET 7 N -0.73 0.86 -0.10 2.90 -1.94 0.02 -0.72 119.30 119.59 3cim s MET 7 Ca 0.08 -0.22 0.02 0.00 -1.71 0.00 0.00 55.69 53.85 3cim s MET 7 Cb -0.08 -0.82 0.02 0.00 2.01 0.00 0.00 34.83 35.95 3cim s MET 7 CO 0.00 0.05 -0.14 0.42 -0.01 0.00 0.00 175.02 175.34 3cim s ILE 8 N 0.40 1.40 -0.17 2.53 1.01 -0.83 -1.71 121.20 123.83 3cim s ILE 8 Ca -0.06 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 3cim s ILE 8 Cb -0.10 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 3cim s ILE 8 CO 0.00 0.42 -0.03 -0.70 0.00 0.00 0.00 174.94 174.63 3cim s GLU 9 N 1.03 3.61 0.32 2.79 2.12 0.07 -1.25 118.70 127.39 3cim s GLU 9 Ca -0.06 -0.54 0.10 0.00 0.36 0.00 0.00 54.97 54.83 3cim s GLU 9 Cb -0.15 -2.95 -0.06 0.00 0.26 0.00 0.00 34.13 31.23 3cim s GLU 9 CO -0.02 0.13 -0.10 0.95 -0.54 0.00 0.00 175.26 175.69 3cim s THR 10 N 0.65 2.44 -0.36 -1.70 -4.23 0.38 -0.28 115.64 112.54 3cim s THR 10 Ca -0.02 -2.20 -0.16 0.00 -1.18 0.00 0.00 61.69 58.13 3cim s THR 10 Cb -0.14 -2.60 -0.00 0.00 1.34 0.00 0.00 72.50 71.10 3cim s THR 10 CO 0.02 -0.26 0.38 -0.60 -0.54 0.00 0.00 174.62 173.62 3cim s ARG 11 N -3.61 3.46 0.00 3.99 6.06 0.39 -1.34 118.95 127.90 3cim s ARG 11 Ca 0.32 -0.49 0.00 0.00 -2.50 0.00 0.00 55.73 53.06 3cim s ARG 11 Cb -0.00 -3.84 0.00 0.00 0.06 0.00 0.00 34.95 31.16 3cim s ARG 11 CO 0.17 -0.60 0.00 0.41 -2.50 0.00 0.00 175.30 172.78 3cim n GLY 12 N 4.99 2.88 0.09 8.12 0.00 -0.67 -3.88 105.19 116.71 3cim n GLY 12 Ca -0.09 -1.52 -0.15 0.00 0.00 0.00 0.00 46.02 44.27 3cim n GLY 12 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3cim h PHE 13 N 0.00 0.18 -0.95 1.61 3.57 -1.93 -3.11 116.94 116.31 3cim h PHE 13 Ca 0.00 -0.09 0.15 0.00 3.53 0.00 0.00 57.97 61.56 3cim h PHE 13 Cb 0.00 -0.02 -0.09 0.00 2.79 0.00 0.00 35.95 38.62 3cim h PHE 13 CO 0.00 0.87 0.57 -1.35 -2.23 0.00 0.00 178.31 176.16 3cim h PRO 14 N -0.57 0.79 -0.50 6.41 0.11 -1.99 -1.14 132.00 135.12 3cim h PRO 14 Ca -0.02 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 3cim h PRO 14 Cb 0.91 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.82 3cim h PRO 14 CO 0.03 0.52 -0.01 0.00 -0.21 0.00 0.00 178.00 178.33 3cim h ALA 15 N 1.57 1.04 -0.24 -0.75 0.00 -1.89 -1.59 119.26 117.41 3cim h ALA 15 Ca 0.51 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 3cim h ALA 15 Cb 0.66 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3cim h ALA 15 CO -0.33 0.59 -0.30 -0.24 0.00 0.00 0.00 179.25 178.98 3cim h VAL 16 N 0.78 1.28 -0.33 0.00 3.04 -1.17 0.16 116.25 120.00 3cim h VAL 16 Ca 0.15 -1.36 -0.05 0.00 -1.01 0.00 0.00 66.70 64.43 3cim h VAL 16 Cb 0.49 1.42 -0.01 0.00 -2.01 0.00 0.00 31.29 31.18 3cim h VAL 16 CO 0.02 0.43 0.00 0.58 -1.01 0.00 0.00 177.57 177.59 3cim h VAL 17 N 0.41 1.26 -0.64 1.51 2.07 -0.88 -1.10 116.25 118.88 3cim h VAL 17 Ca 0.05 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 3cim h VAL 17 Cb 0.73 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3cim h VAL 17 CO 0.06 0.31 0.29 -0.08 0.02 0.00 0.00 177.57 178.17 3cim h GLU 18 N 0.39 0.94 -0.34 1.57 4.57 -1.13 -0.30 114.58 120.27 3cim h GLU 18 Ca 0.09 -0.15 0.05 0.00 -1.18 0.00 0.00 59.36 58.18 3cim h GLU 18 Cb 0.44 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 28.82 3cim h GLU 18 CO 0.02 0.76 0.05 0.00 -1.18 0.00 0.00 179.01 178.66 3cim h ALA 19 N 1.13 0.34 -0.27 2.92 0.00 -0.78 -0.50 119.26 122.10 3cim h ALA 19 Ca 0.22 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3cim h ALA 19 Cb 0.15 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3cim h ALA 19 CO -0.02 -0.35 0.14 0.00 0.00 0.00 0.00 179.25 179.01 3cim h ALA 20 N 1.26 0.34 -0.29 0.00 0.00 -0.85 -0.66 119.26 119.07 3cim h ALA 20 Ca 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3cim h ALA 20 Cb 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3cim h ALA 20 CO -0.22 -0.12 0.17 0.22 0.00 0.00 0.00 179.25 179.30 3cim h ASP 21 N 0.31 0.34 -0.13 0.00 3.58 -0.85 -1.66 116.42 118.01 3cim h ASP 21 Ca 0.09 -0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.40 3cim h ASP 21 Cb 0.08 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 3cim h ASP 21 CO -0.01 0.29 -0.23 0.77 -2.88 0.00 0.00 179.24 177.17 3cim h SER 22 N 0.37 0.57 0.12 2.28 4.64 -0.98 -2.10 113.55 118.44 3cim h SER 22 Ca 0.10 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3cim h SER 22 Cb 0.01 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 61.94 3cim h SER 22 CO -0.02 0.79 -0.06 0.24 -0.87 0.00 0.00 176.83 176.91 3cim h MET 23 N 0.50 -0.16 0.00 4.77 2.86 -0.79 -1.79 114.93 120.31 3cim h MET 23 Ca 0.07 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 3cim h MET 23 Cb 0.67 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.36 3cim h MET 23 CO 0.05 -0.11 -0.10 -0.39 1.06 0.00 0.00 176.91 177.42 3cim h VAL 24 N -0.17 0.24 0.00 -2.22 -1.51 -1.19 -2.87 116.25 108.53 3cim h VAL 24 Ca -0.01 -0.88 -0.01 0.00 -1.23 0.00 0.00 66.70 64.57 3cim h VAL 24 Cb 0.14 1.72 -0.00 0.00 -2.13 0.00 0.00 31.29 31.01 3cim h VAL 24 CO 0.02 0.10 -0.75 0.11 -1.23 0.00 0.00 177.57 175.82 3cim h LYS 25 N 0.00 0.00 0.00 5.19 1.57 -1.27 -3.38 116.57 118.69 3cim h LYS 25 Ca -0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 3cim h LYS 25 Cb 0.71 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 3cim h LYS 25 CO 0.01 0.01 -1.09 0.00 -0.57 0.00 0.00 179.45 177.82 3cim h ALA 26 N 1.98 0.60 -3.03 3.86 0.00 -1.09 -3.49 119.26 118.09 3cim h ALA 26 Ca -0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 54.91 54.01 3cim h ALA 26 Cb 1.02 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.92 3cim h ALA 26 CO 0.00 1.03 0.26 0.00 0.00 0.00 0.00 179.25 180.54 3cim n ALA 27 N -2.36 -1.71 -2.83 0.00 0.00 -1.22 -4.82 120.51 107.57 3cim n ALA 27 Ca -0.05 -1.27 -0.43 0.00 0.00 0.00 0.00 53.44 51.68 3cim n ALA 27 Cb 0.87 1.02 -0.01 0.00 0.00 0.00 0.00 19.45 21.33 3cim n ALA 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3cim s ARG 28 N -2.12 3.91 0.06 0.00 3.52 -1.26 -4.75 118.95 118.31 3cim s ARG 28 Ca 0.16 -2.13 0.02 0.00 -0.13 0.00 0.00 55.73 53.64 3cim s ARG 28 Cb -0.05 -5.15 -0.03 0.00 -1.56 0.00 0.00 34.95 28.16 3cim s ARG 28 CO 0.12 -1.91 -0.07 0.14 -0.81 0.00 0.00 175.30 172.78 3cim s VAL 29 N 2.68 0.55 -0.12 7.11 -7.23 -1.26 -4.46 120.40 117.66 3cim s VAL 29 Ca 0.43 -1.47 -0.02 0.00 -1.81 0.00 0.00 61.98 59.10 3cim s VAL 29 Cb -0.02 -1.09 -0.03 0.00 0.56 0.00 0.00 36.38 35.80 3cim s VAL 29 CO -0.02 -0.64 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.21 3cim s THR 30 N -2.49 3.94 -0.17 5.32 2.01 -0.46 -4.78 115.64 119.02 3cim s THR 30 Ca -0.00 -0.36 -0.29 0.00 0.31 0.00 0.00 61.69 61.35 3cim s THR 30 Cb -0.02 -2.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.79 3cim s THR 30 CO -0.03 0.54 1.16 -0.22 -0.69 0.00 0.00 174.62 175.38 3cim s LEU 31 N -0.11 4.17 0.00 4.42 2.96 -1.26 -0.83 118.68 128.03 3cim s LEU 31 Ca 0.02 1.59 0.00 0.00 -0.22 0.00 0.00 54.13 55.53 3cim s LEU 31 Cb -0.13 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.02 3cim s LEU 31 CO 0.02 -0.68 0.00 1.33 -1.32 0.00 0.00 176.35 175.70 3cim n VAL 32 N 5.19 0.00 -3.66 1.68 0.24 0.34 -4.85 118.33 117.27 3cim n VAL 32 Ca 0.12 -0.39 -0.14 0.00 -2.04 0.00 0.00 64.34 61.89 3cim n VAL 32 Cb 0.46 0.92 -0.07 0.00 -1.47 0.00 0.00 33.84 33.68 3cim n VAL 32 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3cim s GLY 33 N -1.04 -0.31 -0.14 7.63 0.00 -1.00 -0.53 107.32 111.94 3cim s GLY 33 Ca 0.00 0.57 -0.04 0.00 0.00 0.00 0.00 44.72 45.25 3cim s GLY 33 CO 0.00 0.30 0.19 -0.47 0.00 0.00 0.00 173.10 173.12 3cim s TYR 34 N -1.74 -0.23 -0.06 1.90 5.04 -1.26 -1.35 117.35 119.65 3cim s TYR 34 Ca -0.10 0.50 0.04 0.00 -2.44 0.00 0.00 57.07 55.06 3cim s TYR 34 Cb -0.02 -0.28 0.00 0.00 0.35 0.00 0.00 41.96 42.01 3cim s TYR 34 CO 0.03 -0.41 -0.17 -2.00 -1.34 0.00 0.00 175.55 171.67 3cim s GLU 35 N 2.32 1.90 -0.13 4.97 2.56 -0.01 -4.97 118.70 125.34 3cim s GLU 35 Ca 0.04 -0.58 -0.01 0.00 0.00 0.00 0.00 54.97 54.41 3cim s GLU 35 Cb -0.13 -1.59 -0.02 0.00 2.00 0.00 0.00 34.13 34.38 3cim s GLU 35 CO -0.08 0.17 -0.09 0.15 -0.56 0.00 0.00 175.26 174.85 3cim s LYS 36 N 0.25 3.40 0.00 4.30 1.02 -1.26 -0.94 119.74 126.51 3cim s LYS 36 Ca -0.09 -0.61 0.00 0.00 0.02 0.00 0.00 55.97 55.30 3cim s LYS 36 Cb -0.13 -2.73 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 3cim s LYS 36 CO 0.03 0.29 0.76 0.44 -0.92 0.00 0.00 175.35 175.95 3cim n ILE 37 N 3.35 0.55 0.00 2.17 -5.35 -1.00 -5.05 119.36 114.02 3cim n ILE 37 Ca -0.18 -0.57 0.00 0.00 -0.27 0.00 0.00 62.75 61.73 3cim n ILE 37 Cb 0.53 0.75 0.00 0.00 -1.74 0.00 0.00 39.64 39.18 3cim n ILE 37 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3cim n GLY 38 N -0.28 -0.37 2.58 3.28 0.00 -1.26 -4.94 105.19 104.21 3cim n GLY 38 Ca 0.00 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 43.99 3cim n GLY 38 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3cim n SER 39 N -0.65 -5.51 -0.08 1.61 2.88 -1.26 -1.27 113.62 109.34 3cim n SER 39 Ca 0.00 0.46 -0.01 0.00 -1.33 0.00 0.00 58.87 57.99 3cim n SER 39 Cb 0.00 -4.79 -0.00 0.00 -0.75 0.00 0.00 64.21 58.66 3cim n SER 39 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3cim n GLY 40 N -0.50 0.43 3.67 0.46 0.00 -1.26 -4.96 105.19 103.03 3cim n GLY 40 Ca -0.21 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 3cim n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cim s ARG 41 N -0.91 4.21 0.01 1.61 0.52 -0.40 -1.67 118.95 122.32 3cim s ARG 41 Ca 0.00 0.43 0.02 0.00 -0.52 0.00 0.00 55.73 55.66 3cim s ARG 41 Cb 0.00 -3.55 -0.01 0.00 0.52 0.00 0.00 34.95 31.91 3cim s ARG 41 CO 0.00 -0.13 -0.08 0.14 0.02 0.00 0.00 175.30 175.25 3cim s VAL 42 N 1.56 0.62 -0.03 3.52 -7.23 -0.45 -2.37 120.40 116.02 3cim s VAL 42 Ca 0.24 -0.56 0.05 0.00 -1.81 0.00 0.00 61.98 59.90 3cim s VAL 42 Cb -0.15 -0.56 -0.01 0.00 0.56 0.00 0.00 36.38 36.21 3cim s VAL 42 CO 0.10 0.01 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.83 3cim s THR 43 N -0.53 1.44 0.03 5.32 2.01 -0.11 -0.47 115.64 123.33 3cim s THR 43 Ca -0.00 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.28 3cim s THR 43 Cb -0.05 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 3cim s THR 43 CO 0.00 0.41 -0.06 0.68 -0.69 0.00 0.00 174.62 174.96 3cim s VAL 44 N -0.23 3.67 -0.07 3.82 -7.23 -0.38 -0.83 120.40 119.15 3cim s VAL 44 Ca 0.02 -0.86 0.03 0.00 -1.81 0.00 0.00 61.98 59.37 3cim s VAL 44 Cb -0.09 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.23 3cim s VAL 44 CO 0.01 0.33 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.34 3cim s ILE 45 N -1.06 1.36 0.26 -0.62 1.09 -0.46 -1.97 121.20 119.80 3cim s ILE 45 Ca 0.19 -0.62 0.12 0.00 -1.10 0.00 0.00 60.65 59.24 3cim s ILE 45 Cb -0.11 -1.21 -0.05 0.00 -1.06 0.00 0.00 42.46 40.03 3cim s ILE 45 CO 0.10 0.40 -0.21 0.68 -0.10 0.00 0.00 174.94 175.81 3cim s VAL 46 N 0.51 2.45 -0.02 2.92 -7.23 0.11 -0.50 120.40 118.64 3cim s VAL 46 Ca -0.14 -2.32 0.04 0.00 -1.81 0.00 0.00 61.98 57.74 3cim s VAL 46 Cb -0.16 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.51 3cim s VAL 46 CO 0.05 -0.34 -0.13 -0.60 -0.31 0.00 0.00 175.10 173.77 3cim s ARG 47 N -3.32 1.10 0.00 4.82 6.06 -0.01 -1.08 118.95 126.52 3cim s ARG 47 Ca 0.28 -0.45 0.00 0.00 -2.50 0.00 0.00 55.73 53.06 3cim s ARG 47 Cb -0.06 -1.05 0.00 0.00 0.06 0.00 0.00 34.95 33.91 3cim s ARG 47 CO 0.14 0.25 0.00 0.41 -2.50 0.00 0.00 175.30 173.60 3cim n GLY 48 N 2.87 -1.34 3.73 8.12 0.00 -0.89 -1.35 105.19 116.33 3cim n GLY 48 Ca -0.15 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 3cim n GLY 48 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cim n ASP 49 N 0.50 2.53 -0.37 1.61 9.92 -1.26 -0.55 116.55 128.93 3cim n ASP 49 Ca 0.00 0.99 0.03 0.00 -0.53 0.00 0.00 54.79 55.28 3cim n ASP 49 Cb 0.00 -1.55 0.19 0.00 -0.64 0.00 0.00 41.12 39.11 3cim n ASP 49 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 3cim h VAL 50 N 1.47 1.05 -0.65 2.53 3.04 -1.99 0.15 116.25 121.85 3cim h VAL 50 Ca -0.50 -0.39 -0.06 0.00 -1.01 0.00 0.00 66.70 64.74 3cim h VAL 50 Cb 1.31 -0.18 -0.03 0.00 -2.01 0.00 0.00 31.29 30.38 3cim h VAL 50 CO 0.57 0.21 0.16 0.77 -1.01 0.00 0.00 177.57 178.26 3cim h SER 51 N 1.13 0.97 -0.41 3.17 4.64 -1.99 0.46 113.55 121.51 3cim h SER 51 Ca 0.44 -0.20 -0.03 0.00 -0.47 0.00 0.00 61.79 61.54 3cim h SER 51 Cb 0.24 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 3cim h SER 51 CO -0.19 0.94 0.13 -0.33 -0.87 0.00 0.00 176.83 176.51 3cim h GLU 52 N 0.98 0.64 -0.60 4.77 4.39 -1.65 -1.80 114.58 121.31 3cim h GLU 52 Ca 0.21 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3cim h GLU 52 Cb 0.35 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 3cim h GLU 52 CO 0.00 0.63 0.38 0.28 -1.16 0.00 0.00 179.01 179.14 3cim h VAL 53 N 0.53 1.17 -0.30 3.13 2.07 -0.63 0.73 116.25 122.95 3cim h VAL 53 Ca 0.13 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.35 3cim h VAL 53 Cb 0.25 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 3cim h VAL 53 CO -0.01 0.17 0.09 1.56 0.02 0.00 0.00 177.57 179.40 3cim h GLN 54 N 0.82 0.21 -0.60 1.57 4.20 -0.76 0.30 115.11 120.85 3cim h GLN 54 Ca 0.22 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.94 3cim h GLN 54 Cb -0.06 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 3cim h GLN 54 CO -0.04 0.14 0.37 0.00 -0.67 0.00 0.00 178.83 178.62 3cim h ALA 55 N 1.20 0.77 -0.25 3.87 0.00 -0.90 -2.27 119.26 121.68 3cim h ALA 55 Ca 0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3cim h ALA 55 Cb 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3cim h ALA 55 CO -0.15 0.12 0.08 0.66 0.00 0.00 0.00 179.25 179.96 3cim h SER 56 N 0.73 0.36 -0.69 0.00 4.64 -0.39 -2.06 113.55 116.15 3cim h SER 56 Ca 0.24 -0.20 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 3cim h SER 56 Cb 0.00 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 3cim h SER 56 CO -0.09 0.46 0.22 0.58 -0.87 0.00 0.00 176.83 177.13 3cim h VAL 57 N 0.24 1.25 -0.20 0.95 2.07 -0.87 0.15 116.25 119.84 3cim h VAL 57 Ca 0.08 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 66.77 3cim h VAL 57 Cb 0.23 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3cim h VAL 57 CO -0.00 0.34 -0.02 -1.28 0.02 0.00 0.00 177.57 176.62 3cim h SER 58 N 1.00 -0.13 -0.72 0.57 0.87 -1.34 -0.21 113.55 113.60 3cim h SER 58 Ca 0.22 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.78 3cim h SER 58 Cb 0.29 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 3cim h SER 58 CO -0.01 -0.04 0.25 0.00 -0.53 0.00 0.00 176.83 176.50 3cim h ALA 59 N 1.19 0.94 -0.65 6.23 0.00 -0.96 -2.24 119.26 123.77 3cim h ALA 59 Ca 0.10 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 3cim h ALA 59 Cb 0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3cim h ALA 59 CO -0.18 0.59 0.09 0.78 0.00 0.00 0.00 179.25 180.53 3cim h GLY 60 N 1.05 1.16 0.87 0.00 0.00 -0.22 -1.25 103.07 104.67 3cim h GLY 60 Ca 0.23 -0.78 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 3cim h GLY 60 CO -0.01 0.72 0.00 -2.22 0.00 0.00 0.00 176.54 175.03 3cim h ILE 61 N 1.00 1.11 -0.74 2.60 2.04 -0.92 -0.63 117.51 121.98 3cim h ILE 61 Ca 0.20 -0.31 0.06 0.00 1.00 0.00 0.00 64.86 65.80 3cim h ILE 61 Cb 0.46 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 3cim h ILE 61 CO 0.02 0.08 0.43 -0.33 0.00 0.00 0.00 178.15 178.34 3cim h GLU 62 N -0.12 0.75 -0.18 2.37 5.08 -1.25 -1.01 114.58 120.22 3cim h GLU 62 Ca 0.00 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 3cim h GLU 62 Cb 0.13 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3cim h GLU 62 CO -0.00 0.50 -0.46 0.00 -1.00 0.00 0.00 179.01 178.05 3cim h ALA 63 N 1.37 0.29 -0.19 3.43 0.00 -1.14 -3.20 119.26 119.83 3cim h ALA 63 Ca 0.33 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 3cim h ALA 63 Cb 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3cim h ALA 63 CO -0.19 0.44 -0.27 0.00 0.00 0.00 0.00 179.25 179.23 3cim h ALA 64 N 0.57 1.19 0.00 0.00 0.00 -0.92 -1.95 119.26 118.15 3cim h ALA 64 Ca -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3cim h ALA 64 Cb 1.07 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3cim h ALA 64 CO 0.10 0.52 -0.07 -0.91 0.00 0.00 0.00 179.25 178.89 3cim h ASN 65 N 0.31 0.00 0.47 0.00 2.35 -1.22 -2.64 115.58 114.86 3cim h ASN 65 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3cim h ASN 65 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.02 3cim h ASN 65 CO 0.05 0.07 -0.20 0.54 -1.65 0.00 0.00 177.43 176.24 3cim n ARG 66 N -4.38 0.45 -2.15 0.81 1.74 -0.74 -4.78 116.66 107.60 3cim n ARG 66 Ca -0.03 -0.19 -0.41 0.00 -0.77 0.00 0.00 57.85 56.45 3cim n ARG 66 Cb 0.15 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 3cim n ARG 66 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3cim s VAL 67 N -2.68 2.97 -0.16 1.55 1.01 -0.99 -4.92 120.40 117.17 3cim s VAL 67 Ca 0.22 0.84 -0.29 0.00 0.00 0.00 0.00 61.98 62.75 3cim s VAL 67 Cb 0.19 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 3cim s VAL 67 CO 0.54 0.15 2.03 0.20 0.00 0.00 0.00 175.10 178.02 3cim s ASN 68 N 0.09 5.89 -0.15 3.32 0.01 -1.26 0.53 114.94 123.37 3cim s ASN 68 Ca 0.55 2.02 0.00 0.00 -0.71 0.00 0.00 52.86 54.72 3cim s ASN 68 Cb -0.38 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 38.76 3cim s ASN 68 CO 0.43 -1.60 0.00 0.61 -1.51 0.00 0.00 177.10 175.03 3cim n GLY 69 N 5.25 0.51 3.76 0.66 0.00 -1.26 -5.00 105.19 109.11 3cim n GLY 69 Ca 0.25 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3cim n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cim s GLY 70 N -2.43 2.79 -0.24 -0.02 0.00 0.19 -4.95 107.32 102.65 3cim s GLY 70 Ca 0.00 1.16 -0.04 0.00 0.00 0.00 0.00 44.72 45.83 3cim s GLY 70 CO 0.00 1.92 0.12 1.85 0.00 0.00 0.00 173.10 177.00 3cim s GLU 71 N -1.08 0.14 -0.07 2.90 2.12 -1.25 -4.88 118.70 116.58 3cim s GLU 71 Ca 0.51 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 55.24 3cim s GLU 71 Cb -0.38 -1.42 -0.02 0.00 0.26 0.00 0.00 34.13 32.58 3cim s GLU 71 CO 0.45 -0.86 1.00 0.08 -0.54 0.00 0.00 175.26 175.39 3cim s VAL 72 N 2.13 4.80 -0.24 3.70 1.01 -1.26 -0.46 120.40 130.09 3cim s VAL 72 Ca 0.06 2.04 -0.04 0.00 0.00 0.00 0.00 61.98 64.05 3cim s VAL 72 Cb -0.16 -4.31 -0.13 0.00 0.00 0.00 0.00 36.38 31.77 3cim s VAL 72 CO -0.24 0.05 -0.25 0.18 0.00 0.00 0.00 175.10 174.84 3cim n LEU 73 N 4.67 2.51 -3.66 3.92 4.77 0.61 -4.92 117.00 124.90 3cim n LEU 73 Ca 0.08 0.04 -0.15 0.00 -0.03 0.00 0.00 56.01 55.95 3cim n LEU 73 Cb 0.49 -0.78 -0.08 0.00 -2.33 0.00 0.00 43.42 40.73 3cim n LEU 73 CO 0.52 0.75 0.21 -0.55 -1.33 0.00 0.00 177.39 176.98 3cim s SER 74 N -6.61 -0.43 -0.01 -1.43 0.15 -1.10 -5.02 113.70 99.25 3cim s SER 74 Ca -0.32 0.51 -0.08 0.00 0.70 0.00 0.00 55.95 56.75 3cim s SER 74 Cb 0.10 0.55 0.01 0.00 -1.71 0.00 0.00 66.02 64.96 3cim s SER 74 CO 0.50 -0.45 0.17 0.42 1.20 0.00 0.00 173.24 175.08 3cim s THR 75 N -0.94 0.07 -0.11 6.45 -4.23 -1.26 -0.75 115.64 114.87 3cim s THR 75 Ca -0.10 -0.55 -0.30 0.00 -1.18 0.00 0.00 61.69 59.56 3cim s THR 75 Cb -0.03 -0.43 0.09 0.00 1.34 0.00 0.00 72.50 73.47 3cim s THR 75 CO 0.06 -0.30 0.81 -2.28 -0.54 0.00 0.00 174.62 172.37 3cim s HIS 76 N -1.14 -0.55 -0.07 3.99 5.04 -0.70 -5.01 115.29 116.86 3cim s HIS 76 Ca -0.12 0.98 0.05 0.00 -1.54 0.00 0.00 55.06 54.42 3cim s HIS 76 Cb -0.06 0.42 -0.00 0.00 0.04 0.00 0.00 32.58 32.97 3cim s HIS 76 CO 0.02 -0.48 -0.22 0.42 -2.34 0.00 0.00 174.74 172.13 3cim s ILE 77 N -1.04 1.88 -0.29 0.89 1.01 -1.26 -0.80 121.20 121.60 3cim s ILE 77 Ca -0.06 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.66 3cim s ILE 77 Cb -0.01 -1.62 0.07 0.00 0.01 0.00 0.00 42.46 40.91 3cim s ILE 77 CO 0.06 0.52 -0.05 -0.63 0.00 0.00 0.00 174.94 174.84 3cim s ILE 78 N 0.13 2.42 0.22 2.92 1.01 -0.17 -5.00 121.20 122.72 3cim s ILE 78 Ca -0.10 -1.71 -0.30 0.00 0.00 0.00 0.00 60.65 58.53 3cim s ILE 78 Cb -0.15 -2.48 -0.10 0.00 0.01 0.00 0.00 42.46 39.74 3cim s ILE 78 CO 0.05 -0.16 1.44 0.00 0.00 0.00 0.00 174.94 176.27 3cim s ALA 79 N 1.11 3.63 -1.12 9.38 0.00 -1.26 -1.11 121.76 132.38 3cim s ALA 79 Ca -0.04 1.29 -0.13 0.00 0.00 0.00 0.00 51.96 53.07 3cim s ALA 79 Cb -0.20 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 3cim s ALA 79 CO -0.05 -0.71 0.83 0.54 0.00 0.00 0.00 175.76 176.38 3cim n ARG 80 N 2.69 -1.97 -1.76 0.00 1.74 -1.26 -4.86 116.66 111.24 3cim n ARG 80 Ca 0.08 0.63 -0.41 0.00 -0.77 0.00 0.00 57.85 57.37 3cim n ARG 80 Cb 0.40 -4.87 -0.00 0.00 -1.02 0.00 0.00 32.46 26.98 3cim n ARG 80 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3cim n PRO 81 N -3.84 2.59 -1.85 5.56 -0.04 -1.26 -4.91 135.00 131.26 3cim n PRO 81 Ca -0.10 0.91 -0.41 0.00 -0.04 0.00 0.00 63.50 63.86 3cim n PRO 81 Cb 0.61 -2.63 -0.01 0.00 -0.04 0.00 0.00 33.50 31.44 3cim n PRO 81 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3cim s HIS 82 N -0.98 2.71 0.61 0.54 2.46 -1.26 -4.90 115.29 114.47 3cim s HIS 82 Ca 0.55 1.09 0.32 0.00 0.47 0.00 0.00 55.06 57.48 3cim s HIS 82 Cb -0.49 -3.98 1.81 0.00 -0.13 0.00 0.00 32.58 29.78 3cim s HIS 82 CO 0.62 -3.00 2.15 1.05 -2.47 0.00 0.00 174.74 173.09 3cim h GLU 83 N 3.66 0.00 0.00 2.88 4.11 -2.04 -1.76 114.58 121.43 3cim h GLU 83 Ca -0.49 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.89 3cim h GLU 83 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3cim h GLU 83 CO 0.69 0.00 -0.21 -0.97 0.07 0.00 0.00 179.01 178.59 3cim h ASN 84 N 0.00 0.00 0.19 3.06 -0.00 -2.03 -2.59 115.58 114.21 3cim h ASN 84 Ca 0.05 0.00 -0.06 0.00 -0.00 0.00 0.00 56.30 56.29 3cim h ASN 84 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.68 3cim h ASN 84 CO -0.00 0.21 -0.24 -0.07 -0.00 0.00 0.00 177.43 177.33 3cim h LEU 85 N 0.00 0.11 -0.87 0.34 4.07 -1.69 -3.25 115.31 114.02 3cim h LEU 85 Ca -0.00 -0.03 0.06 0.00 0.08 0.00 0.00 57.88 57.99 3cim h LEU 85 Cb 0.39 -0.03 -0.06 0.00 1.08 0.00 0.00 40.66 42.04 3cim h LEU 85 CO 0.03 0.36 0.54 -0.33 -1.08 0.00 0.00 178.44 177.96 3cim h GLU 86 N 0.10 0.95 -0.23 1.13 5.08 -1.62 -0.32 114.58 119.67 3cim h GLU 86 Ca 0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3cim h GLU 86 Cb 0.49 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3cim h GLU 86 CO 0.03 0.63 0.00 2.48 -1.00 0.00 0.00 179.01 181.16 3cim n TYR 87 N -4.61 0.29 -0.06 4.33 0.18 -1.23 -4.24 117.16 111.82 3cim n TYR 87 Ca 0.13 -0.14 -0.10 0.00 1.88 0.00 0.00 57.90 59.66 3cim n TYR 87 Cb 0.18 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.08 3cim n TYR 87 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 3cim n VAL 88 N 1.13 0.70 -4.37 -3.48 0.31 -0.87 -5.04 118.33 106.72 3cim n VAL 88 Ca 0.17 -0.24 -0.34 0.00 -0.01 0.00 0.00 64.34 63.93 3cim n VAL 88 Cb 0.53 -1.19 -0.09 0.00 -0.91 0.00 0.00 33.84 32.18 3cim n VAL 88 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3cim s LEU 89 N -6.05 3.48 -0.09 7.52 1.43 -0.19 -5.02 118.68 119.77 3cim s LEU 89 Ca -0.17 0.04 -0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3cim s LEU 89 Cb 0.05 -1.89 0.07 0.00 0.03 0.00 0.00 46.19 44.45 3cim s LEU 89 CO 0.26 0.33 1.89 -0.81 0.23 0.00 0.00 176.35 178.25 3cim n PRO 90 N 1.80 1.23 0.18 1.29 -0.04 -1.26 -4.29 135.00 133.90 3cim n PRO 90 Ca -0.17 -0.45 0.05 0.00 -0.04 0.00 0.00 63.50 62.89 3cim n PRO 90 Cb 0.53 -1.18 0.26 0.00 -0.04 0.00 0.00 33.50 33.07 3cim n PRO 90 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 3cim h ILE 91 N 0.88 0.83 -0.02 0.52 3.07 -1.88 -3.32 117.51 117.59 3cim h ILE 91 Ca 0.09 -1.68 -0.03 0.00 1.55 0.00 0.00 64.86 64.78 3cim h ILE 91 Cb 1.01 2.06 -0.06 0.00 -0.27 0.00 0.00 36.82 39.56 3cim h ILE 91 CO 0.21 0.39 -0.58 0.18 -1.05 0.00 0.00 178.15 177.30 3cim n LEU 92 N -3.41 2.54 -0.36 0.16 4.77 -1.26 -4.10 117.00 115.33 3cim n LEU 92 Ca 0.00 -3.69 0.08 0.00 -0.03 0.00 0.00 56.01 52.38 3cim n LEU 92 Cb 0.57 -0.46 0.25 0.00 -2.33 0.00 0.00 43.42 41.45 3cim n LEU 92 CO 0.37 1.31 1.22 -0.08 -1.33 0.00 0.00 177.39 178.89 3cim h GLU 93 N 1.03 0.91 -0.33 3.23 4.81 -1.54 -1.74 114.58 120.95 3cim h GLU 93 Ca -0.02 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3cim h GLU 93 Cb 1.12 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.30 3cim h GLU 93 CO 0.03 0.61 0.00 0.72 -0.73 0.00 0.00 179.01 179.63 3cim n HIS 94 N -4.65 1.14 -3.03 0.92 8.25 0.32 -4.93 115.22 113.24 3cim n HIS 94 Ca 0.20 -0.82 -0.41 0.00 -0.26 0.00 0.00 57.72 56.42 3cim n HIS 94 Cb 0.40 -0.33 -0.06 0.00 1.12 0.00 0.00 29.99 31.12 3cim n HIS 94 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3cim s HIS 95 N -2.69 3.25 0.00 4.41 5.65 -0.66 -4.81 115.29 120.43 3cim s HIS 95 Ca 0.44 0.81 0.00 0.00 0.25 0.00 0.00 55.06 56.56 3cim s HIS 95 Cb 0.34 -3.02 0.00 0.00 -1.18 0.00 0.00 32.58 28.72 3cim s HIS 95 CO 0.11 -0.45 0.32 0.72 -0.65 0.00 0.00 174.74 174.79