#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edx s SER 2 N 0.00 6.21 0.40 1.61 1.04 -1.26 -5.04 113.70 116.66 2edx s SER 2 Ca 0.00 -0.85 -0.27 0.00 0.48 0.00 0.00 55.95 55.31 2edx s SER 2 Cb 0.00 -2.26 -0.10 0.00 0.10 0.00 0.00 66.02 63.76 2edx s SER 2 CO 0.00 -0.75 1.34 -1.20 0.98 0.00 0.00 173.24 173.61 2edx n SER 3 N 5.86 2.94 -4.28 7.02 7.64 -1.26 -4.95 113.62 126.58 2edx n SER 3 Ca -0.07 1.16 -0.45 0.00 1.01 0.00 0.00 58.87 60.52 2edx n SER 3 Cb 0.46 -1.53 -0.05 0.00 -1.01 0.00 0.00 64.21 62.08 2edx n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2edx s GLY 4 N -0.39 2.29 -0.07 0.23 0.00 -1.26 -5.02 107.32 103.09 2edx s GLY 4 Ca 0.58 -2.84 -0.01 0.00 0.00 0.00 0.00 44.72 42.46 2edx s GLY 4 CO 0.60 1.19 -0.02 -1.35 0.00 0.00 0.00 173.10 173.52 2edx s SER 5 N 2.77 1.55 -0.11 1.64 1.04 -1.26 -5.11 113.70 114.22 2edx s SER 5 Ca 0.09 -0.13 -0.29 0.00 0.48 0.00 0.00 55.95 56.10 2edx s SER 5 Cb -0.22 -0.51 -0.04 0.00 0.10 0.00 0.00 66.02 65.34 2edx s SER 5 CO -0.02 -0.15 1.59 -0.94 0.98 0.00 0.00 173.24 174.70 2edx s SER 6 N 1.70 6.64 0.00 7.02 1.04 -1.26 -4.81 113.70 124.02 2edx s SER 6 Ca 0.01 2.02 0.00 0.00 0.48 0.00 0.00 55.95 58.47 2edx s SER 6 Cb -0.13 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2edx s SER 6 CO -0.05 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2edx n GLY 7 N 4.17 4.15 2.64 7.32 0.00 -1.26 -5.06 105.19 117.16 2edx n GLY 7 Ca 0.17 -1.00 -0.48 0.00 0.00 0.00 0.00 46.02 44.71 2edx n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2edx n THR 8 N -0.13 0.00 -0.88 2.61 -1.04 -1.26 -4.80 114.28 108.78 2edx n THR 8 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 2edx n THR 8 Cb 0.00 -0.35 0.08 0.00 -1.82 0.00 0.00 70.33 68.24 2edx n THR 8 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 2edx n ILE 9 N 2.84 0.00 -3.63 12.58 -5.35 -1.26 -5.02 119.36 119.51 2edx n ILE 9 Ca 0.22 -0.26 -0.03 0.00 -0.27 0.00 0.00 62.75 62.40 2edx n ILE 9 Cb -0.04 -0.27 -0.06 0.00 -1.74 0.00 0.00 39.64 37.53 2edx n ILE 9 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2edx s GLU 10 N -2.68 0.49 -1.24 6.28 2.12 -1.26 -5.09 118.70 117.33 2edx s GLU 10 Ca 0.46 1.30 -0.15 0.00 0.36 0.00 0.00 54.97 56.95 2edx s GLU 10 Cb -0.10 0.68 0.15 0.00 0.26 0.00 0.00 34.13 35.11 2edx s GLU 10 CO 0.72 -0.23 1.52 0.00 -0.54 0.00 0.00 175.26 176.73 2edx n ALA 11 N 5.43 3.86 -2.67 6.30 0.00 -1.26 -4.98 120.51 127.19 2edx n ALA 11 Ca -0.10 -4.16 -0.40 0.00 0.00 0.00 0.00 53.44 48.78 2edx n ALA 11 Cb 0.49 -3.18 -0.06 0.00 0.00 0.00 0.00 19.45 16.70 2edx n ALA 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2edx s ARG 12 N 2.14 4.24 0.56 0.00 3.52 -1.26 -5.05 118.95 123.10 2edx s ARG 12 Ca 0.45 0.65 -0.18 0.00 -0.13 0.00 0.00 55.73 56.53 2edx s ARG 12 Cb -0.01 -3.56 -0.05 0.00 -1.56 0.00 0.00 34.95 29.77 2edx s ARG 12 CO 0.02 -0.20 1.08 0.95 -0.81 0.00 0.00 175.30 176.34 2edx s THR 13 N 1.77 3.52 -0.05 4.11 -4.23 -1.26 -5.03 115.64 114.47 2edx s THR 13 Ca 0.30 0.85 -0.14 0.00 -1.18 0.00 0.00 61.69 61.51 2edx s THR 13 Cb -0.16 -3.33 -0.05 0.00 1.34 0.00 0.00 72.50 70.30 2edx s THR 13 CO 0.11 -0.30 0.36 0.00 -0.54 0.00 0.00 174.62 174.25 2edx s ALA 14 N -2.10 3.69 -0.40 3.99 0.00 -1.26 -5.01 121.76 120.67 2edx s ALA 14 Ca 0.68 -0.30 0.08 0.00 0.00 0.00 0.00 51.96 52.41 2edx s ALA 14 Cb -0.19 -2.36 0.43 0.00 0.00 0.00 0.00 23.12 21.01 2edx s ALA 14 CO 0.30 0.41 1.10 1.04 0.00 0.00 0.00 175.76 178.60 2edx n GLN 15 N 2.23 3.07 -3.62 0.00 6.02 -1.26 -4.68 117.38 119.14 2edx n GLN 15 Ca -0.14 -4.25 -0.04 0.00 -0.01 0.00 0.00 57.00 52.56 2edx n GLN 15 Cb 0.53 -2.09 -0.01 0.00 1.02 0.00 0.00 30.24 29.68 2edx n GLN 15 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2edx s SER 16 N -3.49 -0.18 0.03 1.08 1.04 -1.25 -5.08 113.70 105.84 2edx s SER 16 Ca 0.45 -0.14 -0.09 0.00 0.48 0.00 0.00 55.95 56.65 2edx s SER 16 Cb 0.41 0.30 -0.05 0.00 0.10 0.00 0.00 66.02 66.77 2edx s SER 16 CO -0.12 -0.52 0.34 0.42 0.98 0.00 0.00 173.24 174.34 2edx s THR 17 N -2.81 5.19 0.45 2.02 -4.23 -1.26 -4.05 115.64 110.94 2edx s THR 17 Ca 0.10 0.38 -0.23 0.00 -1.18 0.00 0.00 61.69 60.76 2edx s THR 17 Cb 0.00 -3.61 -0.08 0.00 1.34 0.00 0.00 72.50 70.16 2edx s THR 17 CO -0.04 0.37 1.17 -2.16 -0.54 0.00 0.00 174.62 173.42 2edx s PRO 18 N -1.70 3.82 -0.11 3.99 0.04 -1.25 -4.93 135.00 134.85 2edx s PRO 18 Ca 0.29 1.79 -0.12 0.00 0.04 0.00 0.00 61.00 63.00 2edx s PRO 18 Cb -0.14 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 2edx s PRO 18 CO 0.16 -0.50 -0.24 0.43 0.04 0.00 0.00 177.00 176.88 2edx n SER 19 N -0.36 1.48 0.08 6.66 7.64 -1.26 -4.56 113.62 123.29 2edx n SER 19 Ca 0.07 0.25 -0.03 0.00 1.01 0.00 0.00 58.87 60.16 2edx n SER 19 Cb 0.48 -0.63 -0.02 0.00 -1.01 0.00 0.00 64.21 63.03 2edx n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2edx h ALA 20 N -0.99 -0.98 -2.85 -0.43 0.00 -1.95 -3.43 119.26 108.62 2edx h ALA 20 Ca 0.00 -0.04 -0.52 0.00 0.00 0.00 0.00 54.91 54.35 2edx h ALA 20 Cb 0.69 0.16 0.05 0.00 0.00 0.00 0.00 17.79 18.69 2edx h ALA 20 CO 0.00 -0.97 0.58 -1.25 0.00 0.00 0.00 179.25 177.60 2edx s PRO 21 N -3.49 4.47 0.43 0.00 0.04 -1.26 -3.58 135.00 131.61 2edx s PRO 21 Ca -0.03 2.06 -0.24 0.00 0.04 0.00 0.00 61.00 62.82 2edx s PRO 21 Cb 0.00 -3.12 -0.08 0.00 0.04 0.00 0.00 34.50 31.35 2edx s PRO 21 CO 0.10 -0.04 1.18 -1.25 0.04 0.00 0.00 177.00 177.03 2edx s PRO 22 N -1.63 3.92 0.39 0.56 0.04 -1.26 -4.75 135.00 132.27 2edx s PRO 22 Ca 0.47 1.83 0.04 0.00 0.04 0.00 0.00 61.00 63.39 2edx s PRO 22 Cb -0.37 -2.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.58 2edx s PRO 22 CO 0.48 -0.43 0.14 1.14 0.04 0.00 0.00 177.00 178.37 2edx s GLN 23 N -2.47 1.86 -1.82 4.56 -2.07 -1.23 -4.83 119.66 113.66 2edx s GLN 23 Ca 0.60 -2.12 -0.20 0.00 -1.82 0.00 0.00 55.36 51.82 2edx s GLN 23 Cb -0.30 -0.52 0.20 0.00 -1.09 0.00 0.00 33.01 31.30 2edx s GLN 23 CO 0.38 -0.47 0.50 1.63 -1.32 0.00 0.00 175.29 176.01 2edx n LYS 24 N -0.84 -0.84 -1.98 9.60 5.02 -1.26 -2.07 118.16 125.78 2edx n LYS 24 Ca -0.04 0.14 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 2edx n LYS 24 Cb 0.65 -4.54 -0.03 0.00 -0.02 0.00 0.00 35.03 31.09 2edx n LYS 24 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2edx s VAL 25 N -3.45 3.49 -0.12 -0.18 1.01 -1.26 -4.39 120.40 115.50 2edx s VAL 25 Ca 0.69 0.53 0.01 0.00 0.00 0.00 0.00 61.98 63.21 2edx s VAL 25 Cb -0.40 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 2edx s VAL 25 CO 1.02 -0.29 -0.17 -0.04 0.00 0.00 0.00 175.10 175.62 2edx s MET 26 N 5.25 3.26 0.06 2.72 -1.94 -0.23 -4.72 119.30 123.69 2edx s MET 26 Ca 0.79 -0.75 0.07 0.00 -1.71 0.00 0.00 55.69 54.09 2edx s MET 26 Cb -0.26 -2.52 -0.03 0.00 2.01 0.00 0.00 34.83 34.03 2edx s MET 26 CO 0.33 0.21 -0.16 0.00 -0.01 0.00 0.00 175.02 175.39 2edx s VAL 28 N -1.00 -0.02 -0.04 0.00 -7.23 -0.93 -4.86 120.40 106.32 2edx s VAL 28 Ca 0.16 0.06 -0.30 0.00 -1.81 0.00 0.00 61.98 60.09 2edx s VAL 28 Cb -0.11 -0.55 -0.05 0.00 0.56 0.00 0.00 36.38 36.24 2edx s VAL 28 CO 0.07 0.03 1.39 -0.55 -0.31 0.00 0.00 175.10 175.73 2edx s SER 29 N 0.89 6.87 0.24 4.85 0.15 -1.26 -0.23 113.70 125.20 2edx s SER 29 Ca -0.06 2.03 0.07 0.00 0.70 0.00 0.00 55.95 58.70 2edx s SER 29 Cb -0.06 -2.55 0.26 0.00 -1.71 0.00 0.00 66.02 61.95 2edx s SER 29 CO -0.07 -0.73 1.56 0.24 1.20 0.00 0.00 173.24 175.44 2edx h MET 30 N 8.04 0.12 0.00 5.44 2.86 -0.99 -3.46 114.93 126.95 2edx h MET 30 Ca -0.36 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 2edx h MET 30 Cb 1.17 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.84 2edx h MET 30 CO 0.92 0.73 0.00 0.41 1.06 0.00 0.00 176.91 180.02 2edx n GLY 31 N 0.35 1.88 0.00 8.32 0.00 -0.97 -5.00 105.19 109.78 2edx n GLY 31 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2edx n GLY 31 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2edx n SER 32 N 0.00 4.42 -0.06 1.61 3.41 -1.26 -0.01 113.62 121.72 2edx n SER 32 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 2edx n SER 32 Cb 0.00 0.47 0.03 0.00 -0.26 0.00 0.00 64.21 64.45 2edx n SER 32 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2edx n THR 33 N -1.80 0.91 -4.12 6.66 -2.24 -1.26 -3.94 114.28 108.48 2edx n THR 33 Ca 0.00 -1.00 -0.16 0.00 -2.27 0.00 0.00 64.05 60.62 2edx n THR 33 Cb 0.42 0.43 -0.15 0.00 -2.10 0.00 0.00 70.33 68.93 2edx n THR 33 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2edx s THR 34 N -1.13 0.38 0.01 4.28 2.01 -1.26 -1.93 115.64 118.00 2edx s THR 34 Ca 0.07 -0.17 0.05 0.00 0.31 0.00 0.00 61.69 61.95 2edx s THR 34 Cb 0.06 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 72.21 2edx s THR 34 CO 0.01 0.12 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.23 2edx s VAL 35 N 0.09 1.14 -0.28 3.82 1.01 -0.44 -0.34 120.40 125.39 2edx s VAL 35 Ca -0.01 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.22 2edx s VAL 35 Cb -0.04 -0.98 0.07 0.00 0.00 0.00 0.00 36.38 35.43 2edx s VAL 35 CO -0.00 0.18 -0.06 -0.60 0.00 0.00 0.00 175.10 174.62 2edx s ARG 36 N -0.70 1.99 -0.13 2.72 3.52 0.68 0.11 118.95 127.14 2edx s ARG 36 Ca 0.04 -1.48 -0.07 0.00 -0.13 0.00 0.00 55.73 54.09 2edx s ARG 36 Cb -0.07 -2.96 -0.04 0.00 -1.56 0.00 0.00 34.95 30.32 2edx s ARG 36 CO 0.00 -0.68 0.12 0.54 -0.81 0.00 0.00 175.30 174.47 2edx s VAL 37 N 1.06 5.30 -0.01 7.11 0.11 -0.25 -2.19 120.40 131.52 2edx s VAL 37 Ca -0.03 0.14 0.03 0.00 -2.93 0.00 0.00 61.98 59.19 2edx s VAL 37 Cb -0.20 -3.33 -0.01 0.00 -1.53 0.00 0.00 36.38 31.32 2edx s VAL 37 CO -0.06 0.57 -0.10 -0.44 -3.33 0.00 0.00 175.10 171.74 2edx s SER 38 N -0.66 1.27 0.14 3.54 0.01 -0.16 -0.89 113.70 116.95 2edx s SER 38 Ca 0.13 -0.20 0.07 0.00 1.31 0.00 0.00 55.95 57.26 2edx s SER 38 Cb -0.12 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 2edx s SER 38 CO 0.02 0.12 -0.15 -1.66 0.41 0.00 0.00 173.24 171.98 2edx s TRP 39 N -0.14 1.54 0.27 2.43 -2.14 0.48 -1.07 118.94 120.31 2edx s TRP 39 Ca 0.02 -0.54 -0.29 0.00 2.66 0.00 0.00 56.10 57.95 2edx s TRP 39 Cb -0.05 -0.79 -0.14 0.00 -3.10 0.00 0.00 33.47 29.39 2edx s TRP 39 CO -0.00 0.21 1.17 0.28 -2.66 0.00 0.00 176.95 175.94 2edx n VAL 40 N 0.39 1.63 -1.24 -0.66 0.31 -0.88 -4.80 118.33 113.09 2edx n VAL 40 Ca -0.14 -0.41 -0.31 0.00 -0.01 0.00 0.00 64.34 63.47 2edx n VAL 40 Cb 0.57 -1.18 0.11 0.00 -0.91 0.00 0.00 33.84 32.42 2edx n VAL 40 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2edx s PRO 41 N -1.23 1.93 -0.32 5.55 0.04 -1.26 -4.53 135.00 135.17 2edx s PRO 41 Ca 0.62 1.06 -0.29 0.00 0.04 0.00 0.00 61.00 62.43 2edx s PRO 41 Cb -0.69 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 31.97 2edx s PRO 41 CO 0.57 -1.84 1.68 -1.25 0.04 0.00 0.00 177.00 176.20 2edx s PRO 42 N -4.91 3.48 0.00 0.56 0.04 -1.26 -4.99 135.00 127.91 2edx s PRO 42 Ca 0.62 1.37 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2edx s PRO 42 Cb -0.17 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.24 2edx s PRO 42 CO 0.56 -1.68 0.00 -0.35 0.04 0.00 0.00 177.00 175.57 2edx n PRO 43 N 8.21 -0.10 -0.10 0.56 -0.04 -1.26 -4.98 135.00 137.28 2edx n PRO 43 Ca 0.21 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.73 2edx n PRO 43 Cb 0.47 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.04 2edx n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2edx n ALA 44 N -3.00 2.33 -0.48 0.55 0.00 -1.26 -4.50 120.51 114.14 2edx n ALA 44 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.55 2edx n ALA 44 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.01 2edx n ALA 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2edx n ASP 45 N 0.64 0.00 -0.15 0.00 8.00 -1.26 -4.83 116.55 118.94 2edx n ASP 45 Ca 0.10 0.00 0.28 0.00 0.71 0.00 0.00 54.79 55.88 2edx n ASP 45 Cb 0.38 0.00 0.63 0.00 -0.02 0.00 0.00 41.12 42.11 2edx n ASP 45 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2edx h SER 46 N 0.00 0.00 -0.34 -2.24 0.02 -2.00 0.11 113.55 109.10 2edx h SER 46 Ca 0.00 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2edx h SER 46 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 2edx h SER 46 CO 0.00 0.00 -0.06 -0.09 -1.14 0.00 0.00 176.83 175.54 2edx h ARG 47 N 0.00 0.03 -4.67 3.45 2.43 -1.88 -3.40 114.38 110.33 2edx h ARG 47 Ca 0.42 -0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.40 2edx h ARG 47 Cb 2.18 -0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 31.61 2edx h ARG 47 CO -0.00 0.02 -0.27 0.27 -1.51 0.00 0.00 179.97 178.47 2edx n ASN 48 N -5.24 -0.93 -3.65 -3.80 0.23 0.36 -3.87 115.26 98.36 2edx n ASN 48 Ca 0.01 -0.19 -0.04 0.00 -0.53 0.00 0.00 54.58 53.83 2edx n ASN 48 Cb 0.19 -0.86 -0.07 0.00 -2.08 0.00 0.00 39.78 36.96 2edx n ASN 48 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2edx s GLY 49 N -1.88 0.20 -0.73 4.83 0.00 -1.26 -3.94 107.32 104.55 2edx s GLY 49 Ca 0.25 3.27 -0.27 0.00 0.00 0.00 0.00 44.72 47.98 2edx s GLY 49 CO 0.31 2.08 1.43 0.54 0.00 0.00 0.00 173.10 177.46 2edx s VAL 50 N 0.35 3.64 -0.36 1.40 0.11 -1.26 -4.93 120.40 119.34 2edx s VAL 50 Ca 0.03 0.29 -0.37 0.00 -2.93 0.00 0.00 61.98 58.99 2edx s VAL 50 Cb -0.05 -4.69 -0.13 0.00 -1.53 0.00 0.00 36.38 29.98 2edx s VAL 50 CO -0.12 -1.63 2.12 -0.38 -3.33 0.00 0.00 175.10 171.76 2edx n ILE 51 N 6.62 0.18 -0.08 7.04 2.08 -1.26 -3.39 119.36 130.54 2edx n ILE 51 Ca 0.09 -0.19 -0.23 0.00 0.56 0.00 0.00 62.75 62.99 2edx n ILE 51 Cb 0.50 -1.40 -0.12 0.00 -0.75 0.00 0.00 39.64 37.87 2edx n ILE 51 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2edx n THR 52 N 6.73 1.60 -3.68 1.39 -2.24 0.64 -4.93 114.28 113.81 2edx n THR 52 Ca 0.42 -0.35 -0.07 0.00 -2.27 0.00 0.00 64.05 61.77 2edx n THR 52 Cb 0.17 -1.84 -0.02 0.00 -2.10 0.00 0.00 70.33 66.54 2edx n THR 52 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2edx s GLN 53 N -2.47 1.37 0.02 -0.78 -2.07 -1.02 -4.44 119.66 110.28 2edx s GLN 53 Ca -0.30 -0.68 0.08 0.00 -1.82 0.00 0.00 55.36 52.64 2edx s GLN 53 Cb 0.08 0.52 -0.02 0.00 -1.09 0.00 0.00 33.01 32.50 2edx s GLN 53 CO 0.62 -0.62 -0.25 0.71 -1.32 0.00 0.00 175.29 174.44 2edx s TYR 54 N -3.60 2.19 0.06 9.60 2.02 -1.24 -1.19 117.35 125.19 2edx s TYR 54 Ca 0.08 -0.41 0.09 0.00 -0.37 0.00 0.00 57.07 56.46 2edx s TYR 54 Cb -0.03 -1.34 -0.03 0.00 -0.40 0.00 0.00 41.96 40.16 2edx s TYR 54 CO -0.01 0.06 -0.24 0.45 -1.57 0.00 0.00 175.55 174.24 2edx s SER 55 N -1.00 2.93 -0.01 2.29 0.15 -1.04 -4.27 113.70 112.74 2edx s SER 55 Ca 0.10 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.16 2edx s SER 55 Cb -0.10 -0.24 0.01 0.00 -1.71 0.00 0.00 66.02 63.98 2edx s SER 55 CO 0.01 0.21 -0.01 -0.69 1.20 0.00 0.00 173.24 173.96 2edx s VAL 56 N -0.85 0.14 -0.02 4.45 1.01 -1.25 -1.89 120.40 121.98 2edx s VAL 56 Ca 0.10 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.12 2edx s VAL 56 Cb -0.10 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.11 2edx s VAL 56 CO 0.03 0.08 -0.09 0.00 0.00 0.00 0.00 175.10 175.12 2edx s ALA 57 N 0.44 0.85 0.05 5.51 0.00 -0.44 0.22 121.76 128.39 2edx s ALA 57 Ca -0.04 -0.35 0.07 0.00 0.00 0.00 0.00 51.96 51.64 2edx s ALA 57 Cb -0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 2edx s ALA 57 CO -0.01 0.15 -0.21 1.52 0.00 0.00 0.00 175.76 177.22 2edx s TYR 58 N 0.10 1.80 -0.16 0.00 1.13 -0.61 0.12 117.35 119.73 2edx s TYR 58 Ca -0.02 -0.38 -0.08 0.00 -1.41 0.00 0.00 57.07 55.18 2edx s TYR 58 Cb -0.08 -1.07 0.06 0.00 -1.10 0.00 0.00 41.96 39.77 2edx s TYR 58 CO 0.00 0.09 0.39 -2.00 -2.51 0.00 0.00 175.55 171.53 2edx s GLU 59 N -1.21 0.36 -0.12 -3.49 2.12 -0.81 0.05 118.70 115.60 2edx s GLU 59 Ca 0.07 0.79 -0.29 0.00 0.36 0.00 0.00 54.97 55.90 2edx s GLU 59 Cb -0.09 0.00 -0.03 0.00 0.26 0.00 0.00 34.13 34.28 2edx s GLU 59 CO 0.02 -0.17 1.33 0.00 -0.54 0.00 0.00 175.26 175.89 2edx s ALA 60 N 1.55 3.63 -0.05 6.30 0.00 -1.26 -1.30 121.76 130.63 2edx s ALA 60 Ca -0.08 0.58 -0.01 0.00 0.00 0.00 0.00 51.96 52.45 2edx s ALA 60 Cb -0.09 -3.63 -0.26 0.00 0.00 0.00 0.00 23.12 19.14 2edx s ALA 60 CO -0.12 -1.14 0.65 -0.24 0.00 0.00 0.00 175.76 174.91 2edx h VAL 61 N 5.41 0.91 -0.31 0.00 3.04 -1.88 -3.36 116.25 120.05 2edx h VAL 61 Ca -0.30 -2.62 0.00 0.00 -1.01 0.00 0.00 66.70 62.77 2edx h VAL 61 Cb 1.13 2.60 0.00 0.00 -2.01 0.00 0.00 31.29 33.01 2edx h VAL 61 CO 0.95 0.77 0.00 -0.67 -1.01 0.00 0.00 177.57 177.61 2edx n ASP 62 N -3.37 3.53 -4.36 3.17 2.03 -1.26 -5.01 116.55 111.28 2edx n ASP 62 Ca -0.22 -2.59 -0.21 0.00 0.52 0.00 0.00 54.79 52.30 2edx n ASP 62 Cb 1.05 -0.42 0.10 0.00 -0.72 0.00 0.00 41.12 41.13 2edx n ASP 62 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2edx n GLY 63 N -0.04 0.79 0.12 0.27 0.00 -1.26 -4.93 105.19 100.14 2edx n GLY 63 Ca 0.17 -2.04 -0.15 0.00 0.00 0.00 0.00 46.02 44.00 2edx n GLY 63 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2edx h GLU 64 N 0.00 0.28 -5.07 1.61 5.08 -1.95 -3.43 114.58 111.10 2edx h GLU 64 Ca -0.30 -0.24 -0.64 0.00 -1.00 0.00 0.00 59.36 57.19 2edx h GLU 64 Cb 1.12 0.05 -0.20 0.00 0.50 0.00 0.00 28.75 30.22 2edx h GLU 64 CO 0.33 0.89 -0.59 0.34 -1.00 0.00 0.00 179.01 178.98 2edx s ASP 65 N -6.33 5.39 -0.22 1.42 -1.08 -1.26 -4.97 116.67 109.62 2edx s ASP 65 Ca -0.15 -0.08 0.04 0.00 -0.52 0.00 0.00 52.55 51.84 2edx s ASP 65 Cb 0.03 -1.96 0.42 0.00 -1.46 0.00 0.00 42.92 39.95 2edx s ASP 65 CO 0.76 0.04 1.43 0.54 0.52 0.00 0.00 175.17 178.46 2edx n ARG 66 N 4.42 2.28 -2.35 4.34 5.12 -1.26 -4.26 116.66 124.95 2edx n ARG 66 Ca -0.16 -1.78 -0.43 0.00 -1.93 0.00 0.00 57.85 53.55 2edx n ARG 66 Cb 0.52 -1.78 -0.02 0.00 -1.16 0.00 0.00 32.46 30.02 2edx n ARG 66 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2edx s GLY 67 N -0.38 1.42 -0.26 -0.13 0.00 -1.26 -4.77 107.32 101.94 2edx s GLY 67 Ca 0.33 0.27 -0.27 0.00 0.00 0.00 0.00 44.72 45.05 2edx s GLY 67 CO 0.07 2.66 0.94 -1.60 0.00 0.00 0.00 173.10 175.17 2edx s ARG 68 N 4.11 4.16 0.40 2.90 3.52 -1.26 -4.54 118.95 128.24 2edx s ARG 68 Ca 0.59 1.07 -0.01 0.00 -0.13 0.00 0.00 55.73 57.25 2edx s ARG 68 Cb -0.20 -3.67 -0.03 0.00 -1.56 0.00 0.00 34.95 29.50 2edx s ARG 68 CO 0.22 -0.65 0.63 -1.01 -0.81 0.00 0.00 175.30 173.69 2edx s HIS 69 N 3.13 3.45 -0.00 5.12 3.76 0.11 -4.89 115.29 125.96 2edx s HIS 69 Ca 0.40 0.43 0.03 0.00 -0.15 0.00 0.00 55.06 55.76 2edx s HIS 69 Cb -0.14 -2.08 -0.01 0.00 1.11 0.00 0.00 32.58 31.45 2edx s HIS 69 CO 0.09 -0.08 -0.08 0.08 -0.85 0.00 0.00 174.74 173.90 2edx s VAL 70 N -2.47 0.65 -0.17 -0.90 1.01 -1.26 -1.58 120.40 115.68 2edx s VAL 70 Ca 0.43 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 2edx s VAL 70 Cb -0.10 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 2edx s VAL 70 CO 0.38 0.14 0.08 -0.69 0.00 0.00 0.00 175.10 175.02 2edx s VAL 71 N -0.27 4.97 0.11 2.92 1.01 0.13 -4.99 120.40 124.28 2edx s VAL 71 Ca 0.02 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.12 2edx s VAL 71 Cb -0.04 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 2edx s VAL 71 CO -0.00 0.50 -0.23 1.51 0.00 0.00 0.00 175.10 176.87 2edx s ASP 72 N 0.01 2.86 0.00 3.32 1.47 -1.26 -3.92 116.67 119.15 2edx s ASP 72 Ca 0.07 -0.71 0.00 0.00 1.18 0.00 0.00 52.55 53.09 2edx s ASP 72 Cb -0.12 -0.17 0.00 0.00 -0.34 0.00 0.00 42.92 42.29 2edx s ASP 72 CO 0.01 0.11 0.00 0.61 0.68 0.00 0.00 175.17 176.57 2edx n GLY 73 N 1.01 0.60 3.41 2.12 0.00 -1.26 -5.07 105.19 106.00 2edx n GLY 73 Ca -0.19 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 2edx n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2edx s ILE 74 N -2.83 3.67 0.15 -0.61 1.01 -1.26 -5.07 121.20 116.26 2edx s ILE 74 Ca 0.00 -0.41 -0.33 0.00 0.00 0.00 0.00 60.65 59.90 2edx s ILE 74 Cb 0.00 -2.64 -0.13 0.00 0.01 0.00 0.00 42.46 39.70 2edx s ILE 74 CO 0.00 0.45 1.63 -0.24 0.00 0.00 0.00 174.94 176.78 2edx n SER 75 N 4.17 3.29 0.09 3.58 2.88 -1.26 -3.64 113.62 122.74 2edx n SER 75 Ca -0.18 1.07 0.08 0.00 -1.33 0.00 0.00 58.87 58.51 2edx n SER 75 Cb 0.52 -1.45 0.38 0.00 -0.75 0.00 0.00 64.21 62.91 2edx n SER 75 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2edx n ARG 76 N 3.77 0.10 -0.12 -1.46 1.85 -1.26 -0.81 116.66 118.73 2edx n ARG 76 Ca 0.17 0.50 0.10 0.00 -1.00 0.00 0.00 57.85 57.62 2edx n ARG 76 Cb 0.30 -1.76 0.31 0.00 -1.05 0.00 0.00 32.46 30.26 2edx n ARG 76 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2edx n GLU 77 N -1.96 1.87 -3.83 2.89 -0.58 -1.26 -4.73 120.64 113.03 2edx n GLU 77 Ca 0.00 -1.32 -0.36 0.00 -0.42 0.00 0.00 57.16 55.07 2edx n GLU 77 Cb 0.09 -1.39 -0.13 0.00 -0.57 0.00 0.00 31.44 29.44 2edx n GLU 77 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2edx s HIS 78 N -1.69 3.42 -1.17 -0.32 3.76 0.01 -4.94 115.29 114.36 2edx s HIS 78 Ca 0.32 -2.09 0.05 0.00 -0.15 0.00 0.00 55.06 53.19 2edx s HIS 78 Cb 0.17 -2.64 0.24 0.00 1.11 0.00 0.00 32.58 31.47 2edx s HIS 78 CO 0.25 -0.87 0.99 -1.13 -0.85 0.00 0.00 174.74 173.13 2edx n SER 79 N 4.62 2.10 -3.78 1.40 3.41 -1.26 -4.84 113.62 115.27 2edx n SER 79 Ca -0.08 -2.20 -0.10 0.00 -0.26 0.00 0.00 58.87 56.24 2edx n SER 79 Cb 0.43 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 2edx n SER 79 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2edx s SER 80 N -0.49 -0.02 0.01 4.04 1.04 -1.26 -0.39 113.70 116.64 2edx s SER 80 Ca 0.17 -0.49 -0.08 0.00 0.48 0.00 0.00 55.95 56.03 2edx s SER 80 Cb 0.12 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2edx s SER 80 CO 0.07 -0.75 0.15 0.86 0.98 0.00 0.00 173.24 174.55 2edx s TRP 81 N -3.65 0.05 -0.44 5.02 -0.11 -0.07 -4.98 118.94 114.76 2edx s TRP 81 Ca 0.03 -0.17 -0.01 0.00 1.22 0.00 0.00 56.10 57.16 2edx s TRP 81 Cb 0.03 -0.05 0.12 0.00 -1.50 0.00 0.00 33.47 32.07 2edx s TRP 81 CO -0.10 -0.32 0.22 0.16 -4.62 0.00 0.00 176.95 172.29 2edx s ASP 82 N -1.55 5.13 0.38 5.86 1.47 -1.26 -1.09 116.67 125.62 2edx s ASP 82 Ca -0.13 -2.22 -0.26 0.00 1.18 0.00 0.00 52.55 51.12 2edx s ASP 82 Cb -0.06 -1.79 -0.09 0.00 -0.34 0.00 0.00 42.92 40.64 2edx s ASP 82 CO 0.00 -0.48 1.20 -0.76 0.68 0.00 0.00 175.17 175.82 2edx s LEU 83 N 0.86 4.27 -0.03 2.11 1.43 0.30 -4.83 118.68 122.78 2edx s LEU 83 Ca 0.10 2.43 -0.01 0.00 -1.03 0.00 0.00 54.13 55.63 2edx s LEU 83 Cb -0.22 -3.90 0.03 0.00 0.03 0.00 0.00 46.19 42.13 2edx s LEU 83 CO -0.04 -0.62 0.05 0.68 0.23 0.00 0.00 176.35 176.65 2edx s VAL 84 N -1.32 -0.08 0.00 -1.59 -7.23 -1.26 -1.33 120.40 107.58 2edx s VAL 84 Ca 0.54 0.29 0.00 0.00 -1.81 0.00 0.00 61.98 61.00 2edx s VAL 84 Cb -0.33 -0.12 0.00 0.00 0.56 0.00 0.00 36.38 36.48 2edx s VAL 84 CO 0.42 0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.94 2edx n GLY 85 N 4.60 0.89 3.68 2.32 0.00 -0.81 -5.05 105.19 110.82 2edx n GLY 85 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2edx n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2edx s LEU 86 N 0.00 2.35 0.63 0.99 1.43 -1.19 -5.09 118.68 117.80 2edx s LEU 86 Ca 0.00 -1.59 -0.07 0.00 -1.03 0.00 0.00 54.13 51.44 2edx s LEU 86 Cb 0.00 -0.64 0.02 0.00 0.03 0.00 0.00 46.19 45.60 2edx s LEU 86 CO 0.00 -0.78 0.96 -0.70 0.23 0.00 0.00 176.35 176.06 2edx s GLU 87 N -3.82 2.77 0.09 1.70 -6.30 -1.26 -4.62 118.70 107.25 2edx s GLU 87 Ca 0.16 0.03 -0.16 0.00 -2.50 0.00 0.00 54.97 52.50 2edx s GLU 87 Cb 0.04 -2.21 -0.06 0.00 0.00 0.00 0.00 34.13 31.89 2edx s GLU 87 CO 0.08 -0.86 0.51 0.15 0.02 0.00 0.00 175.26 175.17 2edx s LYS 88 N -5.10 4.01 -1.36 4.30 1.02 -1.25 -4.28 119.74 117.08 2edx s LYS 88 Ca 0.56 0.52 -0.04 0.00 0.02 0.00 0.00 55.97 57.03 2edx s LYS 88 Cb -0.11 -3.09 -0.00 0.00 -0.52 0.00 0.00 37.83 34.11 2edx s LYS 88 CO 0.46 0.58 0.48 1.87 -0.92 0.00 0.00 175.35 177.82 2edx n TRP 89 N 1.30 -1.68 -3.87 3.18 -0.00 -0.91 -4.96 117.44 110.49 2edx n TRP 89 Ca -0.09 0.68 -0.14 0.00 -0.00 0.00 0.00 57.50 57.95 2edx n TRP 89 Cb 0.52 -3.68 -0.15 0.00 -0.00 0.00 0.00 31.31 27.99 2edx n TRP 89 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 2edx s THR 90 N -3.87 0.04 0.21 5.87 2.01 -1.26 -4.85 115.64 113.79 2edx s THR 90 Ca 0.09 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 2edx s THR 90 Cb -0.03 -0.10 -0.08 0.00 0.01 0.00 0.00 72.50 72.29 2edx s THR 90 CO 0.89 0.06 1.18 -0.70 -0.69 0.00 0.00 174.62 175.36 2edx s GLU 91 N 0.50 4.52 -0.03 4.92 2.56 -1.26 -3.37 118.70 126.54 2edx s GLU 91 Ca -0.04 1.87 0.03 0.00 0.00 0.00 0.00 54.97 56.83 2edx s GLU 91 Cb -0.07 -3.22 0.00 0.00 2.00 0.00 0.00 34.13 32.84 2edx s GLU 91 CO -0.01 -0.03 -0.11 0.71 -0.56 0.00 0.00 175.26 175.26 2edx s TYR 92 N -0.32 1.16 -0.43 5.30 2.02 -1.05 -3.24 117.35 120.78 2edx s TYR 92 Ca 0.51 -0.31 -0.17 0.00 -0.37 0.00 0.00 57.07 56.73 2edx s TYR 92 Cb -0.33 -0.81 0.03 0.00 -0.40 0.00 0.00 41.96 40.45 2edx s TYR 92 CO 0.38 -0.12 0.44 1.03 -1.57 0.00 0.00 175.55 175.71 2edx s ARG 93 N 0.19 3.07 -0.14 -0.62 0.52 -0.42 -3.76 118.95 117.79 2edx s ARG 93 Ca -0.04 -0.87 -0.07 0.00 -0.52 0.00 0.00 55.73 54.24 2edx s ARG 93 Cb -0.10 -4.00 -0.04 0.00 0.52 0.00 0.00 34.95 31.33 2edx s ARG 93 CO 0.01 -0.90 0.12 0.08 0.02 0.00 0.00 175.30 174.63 2edx s VAL 94 N 2.09 5.31 -0.19 3.52 1.01 -1.26 -1.92 120.40 128.95 2edx s VAL 94 Ca 0.11 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2edx s VAL 94 Cb -0.18 -3.33 0.05 0.00 0.00 0.00 0.00 36.38 32.92 2edx s VAL 94 CO 0.12 0.57 -0.06 0.26 0.00 0.00 0.00 175.10 176.00 2edx s TRP 95 N -0.66 2.04 -0.15 5.22 0.51 0.12 -4.10 118.94 121.91 2edx s TRP 95 Ca 0.13 -1.39 -0.02 0.00 -2.12 0.00 0.00 56.10 52.70 2edx s TRP 95 Cb -0.12 -1.46 -0.02 0.00 -0.81 0.00 0.00 33.47 31.07 2edx s TRP 95 CO 0.02 -0.69 -0.10 0.54 -0.51 0.00 0.00 176.95 176.22 2edx s VAL 96 N 1.52 3.27 0.25 4.03 0.11 -1.26 -1.32 120.40 126.99 2edx s VAL 96 Ca -0.02 -0.57 0.05 0.00 -2.93 0.00 0.00 61.98 58.51 2edx s VAL 96 Cb -0.17 -2.41 -0.05 0.00 -1.53 0.00 0.00 36.38 32.22 2edx s VAL 96 CO -0.07 0.50 -0.04 0.00 -3.33 0.00 0.00 175.10 172.15 2edx s ARG 97 N 0.60 1.42 -0.10 1.54 1.70 -0.79 -3.53 118.95 119.78 2edx s ARG 97 Ca -0.06 -1.71 -0.02 0.00 -0.47 0.00 0.00 55.73 53.48 2edx s ARG 97 Cb -0.15 -0.90 -0.03 0.00 -0.57 0.00 0.00 34.95 33.30 2edx s ARG 97 CO 0.03 -0.00 -0.03 0.00 -1.08 0.00 0.00 175.30 174.22 2edx s ALA 98 N -3.19 3.11 -0.13 7.88 0.00 -1.26 -2.49 121.76 125.68 2edx s ALA 98 Ca 0.28 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2edx s ALA 98 Cb 0.04 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 2edx s ALA 98 CO 0.09 0.47 -0.13 -1.01 0.00 0.00 0.00 175.76 175.18 2edx s HIS 99 N -0.47 2.81 0.32 0.00 3.76 -0.33 -0.51 115.29 120.86 2edx s HIS 99 Ca 0.08 -0.63 0.09 0.00 -0.15 0.00 0.00 55.06 54.45 2edx s HIS 99 Cb -0.12 -1.84 -0.05 0.00 1.11 0.00 0.00 32.58 31.69 2edx s HIS 99 CO 0.02 -0.20 0.06 0.95 -0.85 0.00 0.00 174.74 174.72 2edx s THR 100 N 0.31 3.04 0.63 1.30 -4.23 0.27 -0.26 115.64 116.70 2edx s THR 100 Ca -0.10 -1.84 0.32 0.00 -1.18 0.00 0.00 61.69 58.89 2edx s THR 100 Cb -0.16 -2.88 0.36 0.00 1.34 0.00 0.00 72.50 71.16 2edx s THR 100 CO 0.06 -0.25 2.08 -0.78 -0.54 0.00 0.00 174.62 175.19 2edx h ASP 101 N 1.72 0.00 0.74 3.99 3.58 -1.93 0.10 116.42 124.62 2edx h ASP 101 Ca -0.44 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 56.76 2edx h ASP 101 Cb 1.25 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.28 2edx h ASP 101 CO 0.63 0.00 -1.29 -0.37 -2.88 0.00 0.00 179.24 175.34 2edx h VAL 102 N 0.00 1.39 0.00 2.25 -1.51 -1.90 -3.50 116.25 112.99 2edx h VAL 102 Ca 0.06 -3.10 0.00 0.00 -1.23 0.00 0.00 66.70 62.42 2edx h VAL 102 Cb 0.52 2.75 0.00 0.00 -2.13 0.00 0.00 31.29 32.43 2edx h VAL 102 CO -0.00 0.83 0.00 0.61 -1.23 0.00 0.00 177.57 177.78 2edx n GLY 103 N 1.48 0.27 3.70 5.19 0.00 0.35 -5.01 105.19 111.16 2edx n GLY 103 Ca -0.08 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 2edx n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edx s PRO 104 N -2.00 0.79 0.36 1.61 0.04 -1.26 -0.56 135.00 133.97 2edx s PRO 104 Ca 0.00 0.65 0.09 0.00 0.04 0.00 0.00 61.00 61.78 2edx s PRO 104 Cb 0.00 -1.77 -0.07 0.00 0.04 0.00 0.00 34.50 32.70 2edx s PRO 104 CO 0.00 -2.52 -0.07 0.20 0.04 0.00 0.00 177.00 174.66 2edx s GLY 105 N -3.44 2.24 0.41 0.56 0.00 0.33 -4.79 107.32 102.64 2edx s GLY 105 Ca 0.64 -2.12 -0.25 0.00 0.00 0.00 0.00 44.72 43.00 2edx s GLY 105 CO 0.57 -2.04 1.18 2.56 0.00 0.00 0.00 173.10 175.38 2edx s PRO 106 N -3.64 3.98 1.12 2.90 0.04 -1.26 -4.59 135.00 133.55 2edx s PRO 106 Ca 0.33 1.86 -0.18 0.00 0.04 0.00 0.00 61.00 63.06 2edx s PRO 106 Cb 0.04 -2.63 0.28 0.00 0.04 0.00 0.00 34.50 32.22 2edx s PRO 106 CO 0.17 -0.39 0.63 0.39 0.04 0.00 0.00 177.00 177.84 2edx n GLU 107 N -0.04 -3.63 -4.28 4.56 1.02 -1.26 -4.58 120.64 112.43 2edx n GLU 107 Ca 0.05 -1.05 -0.16 0.00 -0.02 0.00 0.00 57.16 55.98 2edx n GLU 107 Cb 0.46 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 30.31 2edx n GLU 107 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2edx s SER 108 N -2.67 2.03 -0.35 1.62 1.04 -1.23 -4.94 113.70 109.20 2edx s SER 108 Ca 0.48 -1.02 -0.41 0.00 0.48 0.00 0.00 55.95 55.48 2edx s SER 108 Cb -0.09 -0.05 -0.16 0.00 0.10 0.00 0.00 66.02 65.82 2edx s SER 108 CO 0.41 -0.29 1.82 -1.54 0.98 0.00 0.00 173.24 174.62 2edx n SER 109 N -0.26 2.00 -4.64 7.02 3.41 -1.26 -4.71 113.62 115.18 2edx n SER 109 Ca -0.09 0.97 -0.43 0.00 -0.26 0.00 0.00 58.87 59.06 2edx n SER 109 Cb 0.61 -1.09 -0.03 0.00 -0.26 0.00 0.00 64.21 63.44 2edx n SER 109 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2edx s PRO 110 N 4.08 3.92 -0.24 4.33 0.04 -1.26 -4.81 135.00 141.05 2edx s PRO 110 Ca 1.03 1.76 -0.20 0.00 0.04 0.00 0.00 61.00 63.63 2edx s PRO 110 Cb -1.16 -3.99 -0.02 0.00 0.04 0.00 0.00 34.50 29.36 2edx s PRO 110 CO 0.66 -1.14 0.61 0.08 0.04 0.00 0.00 177.00 177.25 2edx s VAL 111 N 4.77 5.01 -0.20 -0.36 1.01 -1.26 -4.93 120.40 124.44 2edx s VAL 111 Ca 0.70 1.10 -0.27 0.00 0.00 0.00 0.00 61.98 63.50 2edx s VAL 111 Cb -0.26 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 2edx s VAL 111 CO 0.28 0.06 0.92 -0.76 0.00 0.00 0.00 175.10 175.59 2edx s LEU 112 N 2.33 4.13 -0.04 3.92 1.43 -1.26 -4.25 118.68 124.94 2edx s LEU 112 Ca 0.26 1.24 0.03 0.00 -1.03 0.00 0.00 54.13 54.63 2edx s LEU 112 Cb -0.16 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.71 2edx s LEU 112 CO 0.09 -0.53 -0.13 0.68 0.23 0.00 0.00 176.35 176.69 2edx s VAL 113 N 2.68 1.13 -0.45 -1.59 -7.23 -1.25 -4.97 120.40 108.72 2edx s VAL 113 Ca 0.40 -0.54 -0.12 0.00 -1.81 0.00 0.00 61.98 59.92 2edx s VAL 113 Cb -0.16 -0.99 0.08 0.00 0.56 0.00 0.00 36.38 35.88 2edx s VAL 113 CO 0.09 0.34 0.32 -0.60 -0.31 0.00 0.00 175.10 174.94 2edx s ARG 114 N 0.19 2.74 0.78 4.82 3.52 -1.26 -2.54 118.95 127.18 2edx s ARG 114 Ca -0.05 -1.46 -0.16 0.00 -0.13 0.00 0.00 55.73 53.93 2edx s ARG 114 Cb -0.11 -3.93 -0.07 0.00 -1.56 0.00 0.00 34.95 29.28 2edx s ARG 114 CO 0.02 -1.01 0.11 0.25 -0.81 0.00 0.00 175.30 173.85 2edx n THR 115 N 5.03 0.81 -1.56 4.11 -2.24 -1.22 -4.80 114.28 114.41 2edx n THR 115 Ca -0.11 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 60.84 2edx n THR 115 Cb 0.43 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2edx n THR 115 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2edx n ASP 116 N 0.88 0.62 -4.90 3.42 9.92 0.98 -2.93 116.55 124.55 2edx n ASP 116 Ca 0.07 1.03 -0.28 0.00 -0.53 0.00 0.00 54.79 55.08 2edx n ASP 116 Cb 0.51 -1.26 -0.00 0.00 -0.64 0.00 0.00 41.12 39.72 2edx n ASP 116 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 2edx s GLU 117 N -1.78 3.58 -0.22 -1.24 -1.05 -1.26 -2.15 118.70 114.59 2edx s GLU 117 Ca 0.62 0.30 0.06 0.00 -0.15 0.00 0.00 54.97 55.79 2edx s GLU 117 Cb -0.61 -2.35 -0.17 0.00 -0.44 0.00 0.00 34.13 30.56 2edx s GLU 117 CO 0.58 -0.21 -0.14 -3.47 0.95 0.00 0.00 175.26 172.96 2edx n ASP 118 N -2.16 1.72 -4.84 0.83 2.03 -1.26 -4.95 116.55 107.92 2edx n ASP 118 Ca 0.01 -0.09 -0.36 0.00 0.52 0.00 0.00 54.79 54.87 2edx n ASP 118 Cb 0.55 -0.03 -0.06 0.00 -0.72 0.00 0.00 41.12 40.87 2edx n ASP 118 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2edx s VAL 119 N -2.47 4.93 -2.00 5.18 -7.23 -1.26 -4.96 120.40 112.60 2edx s VAL 119 Ca -0.26 0.80 0.08 0.00 -1.81 0.00 0.00 61.98 60.80 2edx s VAL 119 Cb 0.07 -3.73 0.23 0.00 0.56 0.00 0.00 36.38 33.51 2edx s VAL 119 CO 0.60 0.37 0.93 -0.81 -0.31 0.00 0.00 175.10 175.88 2edx n PRO 120 N 1.18 0.49 -0.20 4.82 -0.04 -1.26 -4.13 135.00 135.87 2edx n PRO 120 Ca -0.09 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.57 2edx n PRO 120 Cb 0.52 -1.25 0.35 0.00 -0.04 0.00 0.00 33.50 33.07 2edx n PRO 120 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2edx n SER 121 N -0.75 0.19 0.00 3.54 3.41 -1.26 -4.23 113.62 114.51 2edx n SER 121 Ca 0.06 0.93 0.00 0.00 -0.26 0.00 0.00 58.87 59.60 2edx n SER 121 Cb 0.03 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 2edx n SER 121 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2edx n GLY 122 N -1.17 -0.65 3.77 5.00 0.00 -1.26 -5.16 105.19 105.72 2edx n GLY 122 Ca 0.22 0.76 -0.34 0.00 0.00 0.00 0.00 46.02 46.65 2edx n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edx s PRO 123 N 0.00 3.18 0.82 1.61 0.04 -1.26 -5.05 135.00 134.35 2edx s PRO 123 Ca 0.00 1.54 -0.14 0.00 0.04 0.00 0.00 61.00 62.45 2edx s PRO 123 Cb 0.00 -1.99 0.20 0.00 0.04 0.00 0.00 34.50 32.76 2edx s PRO 123 CO 0.00 -0.97 0.73 -0.35 0.04 0.00 0.00 177.00 176.45 2edx n PRO 124 N -1.64 -2.44 -2.99 0.56 -0.04 -1.26 -4.99 135.00 122.19 2edx n PRO 124 Ca 0.11 -1.17 -0.40 0.00 -0.04 0.00 0.00 63.50 62.00 2edx n PRO 124 Cb 0.51 -1.10 -0.05 0.00 -0.04 0.00 0.00 33.50 32.83 2edx n PRO 124 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2edx s ARG 125 N -4.66 4.36 -0.46 0.54 6.06 -1.26 -5.02 118.95 118.51 2edx s ARG 125 Ca 0.48 0.91 -0.24 0.00 -2.50 0.00 0.00 55.73 54.37 2edx s ARG 125 Cb -0.05 -3.51 0.03 0.00 0.06 0.00 0.00 34.95 31.48 2edx s ARG 125 CO 0.36 -0.12 0.86 0.21 -2.50 0.00 0.00 175.30 174.11 2edx s LYS 126 N 1.44 3.47 0.01 5.12 2.47 -1.26 -5.03 119.74 125.96 2edx s LYS 126 Ca 0.37 0.02 0.04 0.00 -1.56 0.00 0.00 55.97 54.85 2edx s LYS 126 Cb -0.17 -3.94 -0.01 0.00 -1.46 0.00 0.00 37.83 32.25 2edx s LYS 126 CO 0.15 -1.18 -0.14 0.54 0.16 0.00 0.00 175.35 174.88 2edx s VAL 127 N 3.54 1.10 0.19 4.02 0.11 -1.26 -5.14 120.40 122.96 2edx s VAL 127 Ca 0.33 -0.75 -0.14 0.00 -2.93 0.00 0.00 61.98 58.49 2edx s VAL 127 Cb -0.11 -0.95 -0.07 0.00 -1.53 0.00 0.00 36.38 33.72 2edx s VAL 127 CO 0.25 0.19 0.60 -1.83 -3.33 0.00 0.00 175.10 170.98 2edx s GLU 128 N -0.64 4.00 -0.28 1.54 -1.05 -1.26 -5.08 118.70 115.93 2edx s GLU 128 Ca 0.04 0.54 -0.18 0.00 -0.15 0.00 0.00 54.97 55.22 2edx s GLU 128 Cb -0.06 -2.81 0.09 0.00 -0.44 0.00 0.00 34.13 30.90 2edx s GLU 128 CO 0.00 0.40 0.76 0.45 0.95 0.00 0.00 175.26 177.82 2edx s SER 129 N -1.88 -0.82 -0.44 0.83 0.15 -1.26 -5.11 113.70 105.18 2edx s SER 129 Ca 0.42 1.36 0.06 0.00 0.70 0.00 0.00 55.95 58.50 2edx s SER 129 Cb -0.14 1.35 0.22 0.00 -1.71 0.00 0.00 66.02 65.74 2edx s SER 129 CO 0.20 -0.22 0.58 0.61 1.20 0.00 0.00 173.24 175.61 2edx n GLY 130 N 3.82 1.55 3.75 9.45 0.00 -1.26 -5.13 105.19 117.38 2edx n GLY 130 Ca -0.18 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 2edx n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edx s PRO 131 N -0.16 4.43 -0.01 1.61 0.04 -1.26 -5.04 135.00 134.61 2edx s PRO 131 Ca 0.33 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.47 2edx s PRO 131 Cb 0.12 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.48 2edx s PRO 131 CO -0.15 -0.15 -0.13 -1.54 0.04 0.00 0.00 177.00 175.07 2edx s SER 132 N -0.13 4.14 0.36 6.66 1.04 -1.26 -5.11 113.70 119.40 2edx s SER 132 Ca 0.52 -0.24 -0.27 0.00 0.48 0.00 0.00 55.95 56.44 2edx s SER 132 Cb -0.37 -0.85 -0.09 0.00 0.10 0.00 0.00 66.02 64.81 2edx s SER 132 CO 0.43 0.30 1.18 -0.55 0.98 0.00 0.00 173.24 175.59 2edx s SER 133 N -1.12 6.74 0.00 7.02 0.15 -1.26 -5.33 113.70 119.89 2edx s SER 133 Ca 0.14 2.40 0.00 0.00 0.70 0.00 0.00 55.95 59.19 2edx s SER 133 Cb -0.11 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 2edx s SER 133 CO 0.04 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.56