#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 -0.95 -0.46 1.61 0.01 -1.26 -5.13 113.70 107.52 2edx s SER 2 Ca 0.00 1.48 -0.22 0.00 1.31 0.00 0.00 55.95 58.52 2edx s SER 2 Cb 0.00 1.53 0.03 0.00 0.21 0.00 0.00 66.02 67.80 2edx s SER 2 CO 0.00 -0.23 0.72 -0.94 0.41 0.00 0.00 173.24 173.20 2edx s SER 3 N 1.90 6.34 -0.29 2.44 1.04 -1.26 -4.98 113.70 118.89 2edx s SER 3 Ca -0.09 -0.34 -0.36 0.00 0.48 0.00 0.00 55.95 55.65 2edx s SER 3 Cb -0.07 -2.35 0.17 0.00 0.10 0.00 0.00 66.02 63.87 2edx s SER 3 CO -0.19 -0.89 1.37 -0.83 0.98 0.00 0.00 173.24 173.69 2edx s GLY 4 N 2.22 -0.11 0.12 7.32 0.00 -1.26 -5.13 107.32 110.47 2edx s GLY 4 Ca 0.25 2.19 -0.34 0.00 0.00 0.00 0.00 44.72 46.82 2edx s GLY 4 CO 0.19 0.78 0.87 -1.14 0.00 0.00 0.00 173.10 173.80 2edx n SER 5 N 0.14 -0.18 -0.15 1.64 3.41 -1.26 -4.85 113.62 112.37 2edx n SER 5 Ca 0.04 1.14 -0.09 0.00 -0.26 0.00 0.00 58.87 59.71 2edx n SER 5 Cb 0.57 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 2edx n SER 5 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2edx h SER 6 N 2.28 0.59 0.00 4.04 0.02 -2.00 -3.46 113.55 115.01 2edx h SER 6 Ca -0.40 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 2edx h SER 6 Cb 1.41 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2edx h SER 6 CO 0.63 0.57 0.00 0.61 -1.14 0.00 0.00 176.83 177.50 2edx n GLY 7 N -0.84 -0.05 3.79 -3.77 0.00 -1.26 -5.15 105.19 97.91 2edx n GLY 7 Ca 0.01 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 2edx n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2edx s THR 8 N 0.00 4.09 0.15 2.61 2.01 -1.26 -5.05 115.64 118.19 2edx s THR 8 Ca 0.00 1.56 -0.07 0.00 0.31 0.00 0.00 61.69 63.49 2edx s THR 8 Cb 0.00 -3.79 -0.06 0.00 0.01 0.00 0.00 72.50 68.66 2edx s THR 8 CO 0.00 -0.03 0.42 0.27 -0.69 0.00 0.00 174.62 174.60 2edx s ILE 9 N -1.78 5.09 0.06 1.82 -4.36 -1.26 -5.10 121.20 115.67 2edx s ILE 9 Ca 0.56 0.22 0.06 0.00 -0.26 0.00 0.00 60.65 61.23 2edx s ILE 9 Cb -0.17 -3.63 -0.04 0.00 1.25 0.00 0.00 42.46 39.88 2edx s ILE 9 CO 0.22 0.06 -0.12 -0.70 0.24 0.00 0.00 174.94 174.64 2edx s GLU 10 N -2.56 2.19 -0.28 0.37 2.12 -1.26 -5.12 118.70 114.15 2edx s GLU 10 Ca 0.41 -0.95 -0.23 0.00 0.36 0.00 0.00 54.97 54.56 2edx s GLU 10 Cb -0.12 -2.30 0.12 0.00 0.26 0.00 0.00 34.13 32.09 2edx s GLU 10 CO 0.23 0.54 1.01 0.00 -0.54 0.00 0.00 175.26 176.49 2edx s ALA 11 N -1.07 -2.01 0.03 6.30 0.00 -1.26 -5.13 121.76 118.62 2edx s ALA 11 Ca 0.18 1.95 -0.37 0.00 0.00 0.00 0.00 51.96 53.72 2edx s ALA 11 Cb -0.11 -1.48 -0.19 0.00 0.00 0.00 0.00 23.12 21.34 2edx s ALA 11 CO 0.09 -0.26 0.95 0.54 0.00 0.00 0.00 175.76 177.08 2edx n ARG 12 N 2.51 0.00 -3.90 0.00 5.12 -1.26 -4.92 116.66 114.22 2edx n ARG 12 Ca -0.14 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.43 2edx n ARG 12 Cb 0.56 -1.37 -0.11 0.00 -1.16 0.00 0.00 32.46 30.38 2edx n ARG 12 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2edx s THR 13 N -0.17 4.56 0.48 0.55 2.01 -1.26 -4.93 115.64 116.87 2edx s THR 13 Ca 0.84 -0.10 -0.05 0.00 0.31 0.00 0.00 61.69 62.69 2edx s THR 13 Cb -1.18 -3.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 2edx s THR 13 CO 0.55 0.39 0.78 0.00 -0.69 0.00 0.00 174.62 175.65 2edx s ALA 14 N 1.02 3.42 -0.15 7.40 0.00 -1.26 -5.04 121.76 127.15 2edx s ALA 14 Ca 0.04 -0.55 -0.13 0.00 0.00 0.00 0.00 51.96 51.32 2edx s ALA 14 Cb -0.14 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 2edx s ALA 14 CO 0.03 -0.36 -0.25 1.04 0.00 0.00 0.00 175.76 176.22 2edx n GLN 15 N -2.25 0.44 -3.03 0.00 1.13 -1.26 -4.78 117.38 107.63 2edx n GLN 15 Ca 0.00 0.31 -0.45 0.00 -1.94 0.00 0.00 57.00 54.93 2edx n GLN 15 Cb 0.55 -1.43 -0.02 0.00 0.11 0.00 0.00 30.24 29.45 2edx n GLN 15 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2edx s SER 16 N -5.61 6.68 0.02 1.08 0.01 -1.26 -4.99 113.70 109.63 2edx s SER 16 Ca -0.21 -2.24 0.01 0.00 1.31 0.00 0.00 55.95 54.82 2edx s SER 16 Cb 0.03 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 63.89 2edx s SER 16 CO 0.31 -0.93 -0.04 0.42 0.41 0.00 0.00 173.24 173.41 2edx s THR 17 N 2.00 0.25 0.04 1.44 -4.23 -1.26 -4.61 115.64 109.28 2edx s THR 17 Ca 0.29 -0.64 -0.31 0.00 -1.18 0.00 0.00 61.69 59.86 2edx s THR 17 Cb -0.06 -0.31 -0.06 0.00 1.34 0.00 0.00 72.50 73.40 2edx s THR 17 CO -0.09 -0.25 1.42 -2.16 -0.54 0.00 0.00 174.62 172.99 2edx s PRO 18 N -0.94 4.29 -0.21 3.99 0.04 -1.26 -4.83 135.00 136.08 2edx s PRO 18 Ca -0.08 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 62.86 2edx s PRO 18 Cb -0.06 -3.48 -0.19 0.00 0.04 0.00 0.00 34.50 30.81 2edx s PRO 18 CO -0.00 -0.54 0.03 0.45 0.04 0.00 0.00 177.00 176.97 2edx n SER 19 N 4.96 1.97 0.02 6.66 2.88 -1.26 -4.48 113.62 124.37 2edx n SER 19 Ca 0.13 0.27 -0.01 0.00 -1.33 0.00 0.00 58.87 57.92 2edx n SER 19 Cb 0.43 -0.82 -0.00 0.00 -0.75 0.00 0.00 64.21 63.07 2edx n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2edx h ALA 20 N -0.42 -0.24 -2.33 -1.46 0.00 -1.99 -3.47 119.26 109.35 2edx h ALA 20 Ca -0.50 -0.01 -0.50 0.00 0.00 0.00 0.00 54.91 53.90 2edx h ALA 20 Cb 1.65 0.02 0.14 0.00 0.00 0.00 0.00 17.79 19.60 2edx h ALA 20 CO -0.18 -0.23 0.28 -1.25 0.00 0.00 0.00 179.25 177.87 2edx s PRO 21 N -1.65 1.73 0.19 0.00 0.04 -1.26 -4.36 135.00 129.69 2edx s PRO 21 Ca -0.01 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 61.71 2edx s PRO 21 Cb 0.00 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 2edx s PRO 21 CO 0.03 -1.96 1.31 -1.25 0.04 0.00 0.00 177.00 175.17 2edx s PRO 22 N -4.92 4.39 0.50 0.56 0.04 -1.26 -4.73 135.00 129.58 2edx s PRO 22 Ca 0.62 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.75 2edx s PRO 22 Cb -0.18 -3.20 -0.00 0.00 0.04 0.00 0.00 34.50 31.16 2edx s PRO 22 CO 0.56 -0.26 0.20 1.14 0.04 0.00 0.00 177.00 178.68 2edx s GLN 23 N 0.00 2.22 -1.32 4.56 -2.07 -1.26 -4.67 119.66 117.12 2edx s GLN 23 Ca 0.57 -2.13 0.00 0.00 -1.82 0.00 0.00 55.36 51.99 2edx s GLN 23 Cb -0.36 -1.85 0.00 0.00 -1.09 0.00 0.00 33.01 29.70 2edx s GLN 23 CO 0.37 -0.40 0.00 1.63 -1.32 0.00 0.00 175.29 175.57 2edx n LYS 24 N -1.45 -2.01 -1.64 9.60 5.02 -1.26 -2.38 118.16 124.04 2edx n LYS 24 Ca -0.08 0.75 -0.43 0.00 -2.02 0.00 0.00 58.31 56.53 2edx n LYS 24 Cb 0.65 -5.35 -0.03 0.00 -0.02 0.00 0.00 35.03 30.28 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 -2.73 3.05 -0.20 -0.18 1.01 -1.26 -4.40 120.40 115.69 2edx s VAL 25 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 2edx s VAL 25 Cb 0.00 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 2edx s VAL 25 CO 0.00 -0.05 -0.07 -0.04 0.00 0.00 0.00 175.10 174.95 2edx s MET 26 N 6.41 3.37 -0.07 2.72 -1.94 0.14 -4.86 119.30 125.07 2edx s MET 26 Ca 0.99 -0.64 0.02 0.00 -1.71 0.00 0.00 55.69 54.35 2edx s MET 26 Cb -0.31 -2.92 -0.02 0.00 2.01 0.00 0.00 34.83 33.59 2edx s MET 26 CO 0.34 -0.11 -0.13 0.00 -0.01 0.00 0.00 175.02 175.11 2edx s VAL 28 N -0.46 -0.03 -0.16 0.00 -7.23 0.63 -4.92 120.40 108.22 2edx s VAL 28 Ca 0.06 0.27 -0.29 0.00 -1.81 0.00 0.00 61.98 60.21 2edx s VAL 28 Cb -0.12 -0.14 -0.05 0.00 0.56 0.00 0.00 36.38 36.63 2edx s VAL 28 CO 0.02 0.13 2.00 -0.44 -0.31 0.00 0.00 175.10 176.50 2edx s SER 29 N 1.48 5.93 0.20 4.85 0.01 -1.26 -1.12 113.70 123.80 2edx s SER 29 Ca -0.04 1.99 -0.07 0.00 1.31 0.00 0.00 55.95 59.13 2edx s SER 29 Cb -0.13 -2.52 0.14 0.00 0.21 0.00 0.00 66.02 63.72 2edx s SER 29 CO -0.03 -1.57 1.70 0.24 0.41 0.00 0.00 173.24 173.99 2edx h MET 30 N 12.86 1.06 0.00 12.44 2.86 -1.55 -3.47 114.93 139.13 2edx h MET 30 Ca -0.41 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 56.94 2edx h MET 30 Cb 1.22 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.75 2edx h MET 30 CO 0.97 0.99 0.00 0.41 1.06 0.00 0.00 176.91 180.34 2edx n GLY 31 N -0.57 2.09 0.01 8.32 0.00 -0.86 -5.00 105.19 109.18 2edx n GLY 31 Ca 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 2edx n GLY 31 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2edx n SER 32 N 0.00 4.16 -0.06 1.61 7.64 -1.26 -0.75 113.62 124.97 2edx n SER 32 Ca 0.00 -0.01 0.03 0.00 1.01 0.00 0.00 58.87 59.91 2edx n SER 32 Cb 0.00 0.19 0.05 0.00 -1.01 0.00 0.00 64.21 63.44 2edx n SER 32 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2edx n THR 33 N -2.36 1.27 -4.14 0.44 -2.24 -1.26 -3.80 114.28 102.19 2edx n THR 33 Ca -0.03 -1.38 -0.16 0.00 -2.27 0.00 0.00 64.05 60.21 2edx n THR 33 Cb 0.54 0.28 -0.15 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.57 0.41 0.07 4.28 2.01 -1.26 -1.57 115.64 118.02 2edx s THR 34 Ca 0.11 -0.19 0.07 0.00 0.31 0.00 0.00 61.69 61.99 2edx s THR 34 Cb 0.09 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 72.20 2edx s THR 34 CO 0.02 0.13 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.20 2edx s VAL 35 N 0.10 1.49 -0.19 3.82 1.01 -0.01 -1.45 120.40 125.16 2edx s VAL 35 Ca -0.01 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 60.65 2edx s VAL 35 Cb -0.05 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 35.02 2edx s VAL 35 CO -0.00 -0.02 -0.14 -0.60 0.00 0.00 0.00 175.10 174.34 2edx s ARG 36 N -1.58 2.37 -0.04 2.72 3.52 -0.27 0.15 118.95 125.82 2edx s ARG 36 Ca 0.04 -0.83 0.07 0.00 -0.13 0.00 0.00 55.73 54.87 2edx s ARG 36 Cb -0.09 -2.44 -0.02 0.00 -1.56 0.00 0.00 34.95 30.84 2edx s ARG 36 CO 0.03 -0.34 -0.24 0.54 -0.81 0.00 0.00 175.30 174.48 2edx s VAL 37 N 1.35 2.21 0.04 7.11 0.11 -0.31 -0.27 120.40 130.63 2edx s VAL 37 Ca 0.01 -1.03 -0.01 0.00 -2.93 0.00 0.00 61.98 58.02 2edx s VAL 37 Cb -0.15 -1.79 -0.03 0.00 -1.53 0.00 0.00 36.38 32.88 2edx s VAL 37 CO -0.10 0.58 -0.03 -0.94 -3.33 0.00 0.00 175.10 171.28 2edx s SER 38 N -0.43 0.36 0.31 3.54 1.04 -0.42 -0.22 113.70 117.88 2edx s SER 38 Ca 0.05 -0.75 0.03 0.00 0.48 0.00 0.00 55.95 55.75 2edx s SER 38 Cb -0.12 0.15 -0.05 0.00 0.10 0.00 0.00 66.02 66.11 2edx s SER 38 CO 0.01 -0.45 0.10 -1.66 0.98 0.00 0.00 173.24 172.22 2edx s TRP 39 N -2.69 1.72 -0.42 5.02 -2.14 0.96 -0.68 118.94 120.72 2edx s TRP 39 Ca -0.05 -1.15 -0.25 0.00 2.66 0.00 0.00 56.10 57.31 2edx s TRP 39 Cb -0.01 -1.06 0.02 0.00 -3.10 0.00 0.00 33.47 29.32 2edx s TRP 39 CO -0.05 -0.25 0.88 0.54 -2.66 0.00 0.00 176.95 175.41 2edx s VAL 40 N -3.51 4.57 -0.34 -0.66 0.11 -1.00 -4.85 120.40 114.72 2edx s VAL 40 Ca 0.35 0.84 -0.29 0.00 -2.93 0.00 0.00 61.98 59.95 2edx s VAL 40 Cb 0.07 -4.36 -0.01 0.00 -1.53 0.00 0.00 36.38 30.55 2edx s VAL 40 CO 0.15 -0.68 1.69 -2.16 -3.33 0.00 0.00 175.10 170.77 2edx s PRO 41 N 3.51 3.44 0.07 1.54 0.04 -1.26 -4.58 135.00 137.76 2edx s PRO 41 Ca 0.35 1.34 -0.31 0.00 0.04 0.00 0.00 61.00 62.43 2edx s PRO 41 Cb -0.11 -4.14 -0.07 0.00 0.04 0.00 0.00 34.50 30.22 2edx s PRO 41 CO 0.22 -1.73 1.39 -1.25 0.04 0.00 0.00 177.00 175.68 2edx s PRO 42 N 5.39 4.31 0.64 0.56 0.04 -1.26 -5.01 135.00 139.66 2edx s PRO 42 Ca 0.75 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 63.66 2edx s PRO 42 Cb -0.21 -3.39 -0.01 0.00 0.04 0.00 0.00 34.50 30.93 2edx s PRO 42 CO 0.33 -0.49 1.11 -1.25 0.04 0.00 0.00 177.00 176.74 2edx s PRO 43 N 1.64 2.92 0.64 0.56 0.04 -1.26 -4.88 135.00 134.65 2edx s PRO 43 Ca 0.64 1.43 0.26 0.00 0.04 0.00 0.00 61.00 63.37 2edx s PRO 43 Cb -0.35 -1.96 1.37 0.00 0.04 0.00 0.00 34.50 33.61 2edx s PRO 43 CO 0.29 -1.17 1.78 0.00 0.04 0.00 0.00 177.00 177.95 2edx h ALA 44 N 0.25 1.74 0.38 8.56 0.00 -2.00 -1.79 119.26 126.41 2edx h ALA 44 Ca -0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2edx h ALA 44 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2edx h ALA 44 CO 0.55 -0.59 -0.18 -0.44 0.00 0.00 0.00 179.25 178.59 2edx h ASP 45 N 0.00 -0.43 -2.57 0.00 3.32 -2.02 -3.39 116.42 111.32 2edx h ASP 45 Ca 0.09 0.01 -0.70 0.00 0.02 0.00 0.00 57.03 56.45 2edx h ASP 45 Cb 1.07 0.11 -0.18 0.00 0.22 0.00 0.00 39.33 40.55 2edx h ASP 45 CO -0.00 -0.04 0.73 -0.44 -1.72 0.00 0.00 179.24 177.77 2edx s SER 46 N -4.73 6.61 0.02 6.45 0.01 -0.67 -4.95 113.70 116.45 2edx s SER 46 Ca -0.07 -2.05 -0.28 0.00 1.31 0.00 0.00 55.95 54.86 2edx s SER 46 Cb 0.01 -2.38 0.10 0.00 0.21 0.00 0.00 66.02 63.96 2edx s SER 46 CO 0.22 -1.03 0.84 -0.13 0.41 0.00 0.00 173.24 173.55 2edx s ARG 47 N 2.49 0.90 0.00 12.44 0.52 -1.26 -4.21 118.95 129.83 2edx s ARG 47 Ca 0.30 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 2edx s ARG 47 Cb -0.06 0.41 0.00 0.00 0.52 0.00 0.00 34.95 35.82 2edx s ARG 47 CO -0.08 -0.39 0.00 0.27 0.02 0.00 0.00 175.30 175.12 2edx n ASN 48 N -0.23 4.42 -0.46 0.23 6.94 -1.26 -5.09 115.26 119.81 2edx n ASN 48 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.46 2edx n ASN 48 Cb 0.62 0.83 0.00 0.00 -2.36 0.00 0.00 39.78 38.87 2edx n ASN 48 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2edx n GLY 49 N 2.28 5.35 2.89 4.83 0.00 -1.26 -4.82 105.19 114.46 2edx n GLY 49 Ca 0.00 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 2edx n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2edx s VAL 50 N -0.83 1.36 -0.08 1.61 0.11 -1.26 -5.04 120.40 116.26 2edx s VAL 50 Ca 0.00 -1.20 -0.30 0.00 -2.93 0.00 0.00 61.98 57.56 2edx s VAL 50 Cb 0.00 -1.72 -0.05 0.00 -1.53 0.00 0.00 36.38 33.09 2edx s VAL 50 CO 0.00 -0.20 1.57 -0.63 -3.33 0.00 0.00 175.10 172.51 2edx s ILE 51 N 1.46 3.74 -0.23 7.04 -1.09 -1.26 -3.86 121.20 126.99 2edx s ILE 51 Ca -0.03 0.89 0.06 0.00 -2.23 0.00 0.00 60.65 59.35 2edx s ILE 51 Cb -0.18 -3.58 -0.20 0.00 -1.58 0.00 0.00 42.46 36.92 2edx s ILE 51 CO -0.08 -0.08 -0.11 0.35 -1.23 0.00 0.00 174.94 173.78 2edx n THR 52 N 5.47 1.48 -3.50 2.92 -2.24 0.32 -4.97 114.28 113.75 2edx n THR 52 Ca 0.17 -0.66 -0.16 0.00 -2.27 0.00 0.00 64.05 61.13 2edx n THR 52 Cb 0.43 -1.17 -0.05 0.00 -2.10 0.00 0.00 70.33 67.44 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 -2.51 1.11 -0.10 -0.78 1.03 -1.17 -4.28 119.66 112.96 2edx s GLN 53 Ca -0.27 0.03 -0.01 0.00 0.04 0.00 0.00 55.36 55.14 2edx s GLN 53 Cb 0.08 0.52 -0.03 0.00 0.03 0.00 0.00 33.01 33.61 2edx s GLN 53 CO 0.67 -0.39 -0.04 0.71 -2.54 0.00 0.00 175.29 173.70 2edx s TYR 54 N -1.96 3.01 0.05 9.60 2.02 -1.24 -0.92 117.35 127.92 2edx s TYR 54 Ca -0.07 -0.07 0.06 0.00 -0.37 0.00 0.00 57.07 56.62 2edx s TYR 54 Cb -0.00 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 2edx s TYR 54 CO 0.03 0.22 -0.12 0.45 -1.57 0.00 0.00 175.55 174.57 2edx s SER 55 N -0.39 4.26 0.04 2.29 0.15 -0.96 -4.35 113.70 114.73 2edx s SER 55 Ca 0.06 -0.33 0.04 0.00 0.70 0.00 0.00 55.95 56.42 2edx s SER 55 Cb -0.12 -0.83 -0.02 0.00 -1.71 0.00 0.00 66.02 63.34 2edx s SER 55 CO 0.02 0.23 -0.11 -0.69 1.20 0.00 0.00 173.24 173.90 2edx s VAL 56 N -1.06 0.83 -0.07 4.45 1.01 -1.25 -2.05 120.40 122.27 2edx s VAL 56 Ca 0.18 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 2edx s VAL 56 Cb -0.11 -0.80 0.04 0.00 0.00 0.00 0.00 36.38 35.51 2edx s VAL 56 CO 0.09 -0.14 0.15 0.00 0.00 0.00 0.00 175.10 175.20 2edx s ALA 57 N -0.98 -0.28 -0.04 5.51 0.00 -0.58 -0.12 121.76 125.27 2edx s ALA 57 Ca -0.03 0.69 0.05 0.00 0.00 0.00 0.00 51.96 52.68 2edx s ALA 57 Cb -0.08 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 2edx s ALA 57 CO 0.01 -0.16 -0.19 1.52 0.00 0.00 0.00 175.76 176.94 2edx s TYR 58 N 1.14 1.84 -0.12 0.00 1.13 -0.75 0.01 117.35 120.59 2edx s TYR 58 Ca -0.09 -0.47 -0.06 0.00 -1.41 0.00 0.00 57.07 55.04 2edx s TYR 58 Cb -0.11 -1.21 0.06 0.00 -1.10 0.00 0.00 41.96 39.59 2edx s TYR 58 CO -0.06 -0.13 0.28 -2.00 -2.51 0.00 0.00 175.55 171.13 2edx s GLU 59 N -0.17 0.22 0.10 -3.49 2.12 -0.99 -0.44 118.70 116.05 2edx s GLU 59 Ca 0.00 0.65 -0.31 0.00 0.36 0.00 0.00 54.97 55.67 2edx s GLU 59 Cb -0.10 -0.06 -0.09 0.00 0.26 0.00 0.00 34.13 34.13 2edx s GLU 59 CO 0.01 -0.20 1.77 0.00 -0.54 0.00 0.00 175.26 176.30 2edx s ALA 60 N 1.68 3.73 -0.05 6.30 0.00 -1.26 -1.76 121.76 130.40 2edx s ALA 60 Ca -0.06 1.35 -0.05 0.00 0.00 0.00 0.00 51.96 53.20 2edx s ALA 60 Cb -0.11 -3.74 -0.28 0.00 0.00 0.00 0.00 23.12 18.99 2edx s ALA 60 CO -0.09 -1.20 0.65 -0.24 0.00 0.00 0.00 175.76 174.88 2edx h VAL 61 N 4.78 0.91 -0.01 0.00 3.04 -1.89 -3.38 116.25 119.70 2edx h VAL 61 Ca -0.45 -2.58 0.00 0.00 -1.01 0.00 0.00 66.70 62.66 2edx h VAL 61 Cb 1.21 2.66 0.00 0.00 -2.01 0.00 0.00 31.29 33.15 2edx h VAL 61 CO 0.94 0.82 0.00 -0.90 -1.01 0.00 0.00 177.57 177.42 2edx n ASP 62 N -3.46 1.96 -2.53 3.17 5.75 -1.26 -5.05 116.55 115.12 2edx n ASP 62 Ca -0.23 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.61 2edx n ASP 62 Cb 1.06 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.14 2edx n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2edx n GLY 63 N -0.45 -1.85 0.12 6.12 0.00 -1.26 -4.97 105.19 102.90 2edx n GLY 63 Ca 0.00 -1.52 -0.18 0.00 0.00 0.00 0.00 46.02 44.32 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 0.25 -5.23 1.61 5.08 -1.96 -3.45 114.58 110.87 2edx h GLU 64 Ca 0.00 -0.43 -0.65 0.00 -1.00 0.00 0.00 59.36 57.28 2edx h GLU 64 Cb 0.00 0.16 -0.26 0.00 0.50 0.00 0.00 28.75 29.16 2edx h GLU 64 CO 0.00 1.10 -0.73 0.34 -1.00 0.00 0.00 179.01 178.73 2edx s ASP 65 N -6.95 4.29 -0.21 1.42 2.15 -1.26 -4.99 116.67 111.12 2edx s ASP 65 Ca -0.13 -0.29 0.04 0.00 0.43 0.00 0.00 52.55 52.61 2edx s ASP 65 Cb 0.07 -1.69 0.40 0.00 -0.30 0.00 0.00 42.92 41.39 2edx s ASP 65 CO 0.83 0.12 1.40 0.54 -0.17 0.00 0.00 175.17 177.89 2edx n ARG 66 N 3.84 2.18 -2.54 4.34 5.12 -1.26 -4.21 116.66 124.14 2edx n ARG 66 Ca -0.18 -1.68 -0.43 0.00 -1.93 0.00 0.00 57.85 53.64 2edx n ARG 66 Cb 0.52 -1.74 -0.02 0.00 -1.16 0.00 0.00 32.46 30.06 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 -0.31 1.51 -0.22 -0.13 0.00 -1.26 -4.83 107.32 102.07 2edx s GLY 67 Ca 0.31 0.06 -0.23 0.00 0.00 0.00 0.00 44.72 44.86 2edx s GLY 67 CO 0.07 2.41 0.74 -1.60 0.00 0.00 0.00 173.10 174.71 2edx s ARG 68 N 3.81 4.20 0.35 2.90 3.00 -1.26 -4.49 118.95 127.46 2edx s ARG 68 Ca 0.50 0.79 0.01 0.00 -1.00 0.00 0.00 55.73 56.04 2edx s ARG 68 Cb -0.15 -3.61 -0.03 0.00 0.00 0.00 0.00 34.95 31.16 2edx s ARG 68 CO 0.18 -0.38 0.54 -1.01 0.00 0.00 0.00 175.30 174.63 2edx s HIS 69 N 2.38 3.42 -0.00 5.12 3.76 0.42 -4.92 115.29 125.46 2edx s HIS 69 Ca 0.32 0.25 0.02 0.00 -0.15 0.00 0.00 55.06 55.49 2edx s HIS 69 Cb -0.16 -1.94 -0.00 0.00 1.11 0.00 0.00 32.58 31.59 2edx s HIS 69 CO 0.09 0.06 -0.05 0.08 -0.85 0.00 0.00 174.74 174.08 2edx s VAL 70 N -2.31 0.40 -0.17 -0.90 1.01 -1.26 -1.82 120.40 115.35 2edx s VAL 70 Ca 0.41 -0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.10 2edx s VAL 70 Cb -0.10 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 2edx s VAL 70 CO 0.35 0.11 0.10 -0.69 0.00 0.00 0.00 175.10 174.98 2edx s VAL 71 N -0.10 5.17 0.10 2.92 1.01 0.83 -4.99 120.40 125.34 2edx s VAL 71 Ca 0.02 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.18 2edx s VAL 71 Cb -0.02 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 2edx s VAL 71 CO -0.00 0.50 -0.21 -1.81 0.00 0.00 0.00 175.10 173.57 2edx s ASP 72 N -0.03 2.59 0.00 3.32 1.11 -1.26 -3.84 116.67 118.55 2edx s ASP 72 Ca 0.08 -0.68 0.00 0.00 0.18 0.00 0.00 52.55 52.13 2edx s ASP 72 Cb -0.12 -0.15 0.00 0.00 1.07 0.00 0.00 42.92 43.73 2edx s ASP 72 CO 0.00 0.07 0.00 0.61 1.18 0.00 0.00 175.17 177.03 2edx n GLY 73 N 1.11 0.57 3.38 0.21 0.00 -1.26 -5.06 105.19 104.14 2edx n GLY 73 Ca -0.19 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.85 3.68 0.17 -0.61 1.01 -1.26 -5.07 121.20 116.27 2edx s ILE 74 Ca 0.00 -0.40 -0.33 0.00 0.00 0.00 0.00 60.65 59.92 2edx s ILE 74 Cb 0.00 -2.67 -0.13 0.00 0.01 0.00 0.00 42.46 39.66 2edx s ILE 74 CO 0.00 0.42 1.63 -1.20 0.00 0.00 0.00 174.94 175.79 2edx n SER 75 N 4.54 3.38 0.25 3.58 7.64 -1.26 -3.71 113.62 128.04 2edx n SER 75 Ca -0.18 1.08 0.08 0.00 1.01 0.00 0.00 58.87 60.86 2edx n SER 75 Cb 0.51 -1.47 0.62 0.00 -1.01 0.00 0.00 64.21 62.86 2edx n SER 75 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 2edx h ARG 76 N 6.22 0.00 0.00 1.43 0.11 -1.94 -0.26 114.38 119.94 2edx h ARG 76 Ca -0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.64 2edx h ARG 76 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 2edx h ARG 76 CO 0.91 0.09 0.00 -0.85 0.10 0.00 0.00 179.97 180.22 2edx n GLU 77 N -4.31 0.29 -3.58 0.08 0.28 -1.26 -4.43 120.64 107.71 2edx n GLU 77 Ca -0.03 0.10 -0.41 0.00 -0.16 0.00 0.00 57.16 56.67 2edx n GLU 77 Cb 0.16 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.44 2edx n GLU 77 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2edx s HIS 78 N -2.47 3.36 -1.17 -1.84 3.76 -0.11 -4.93 115.29 111.90 2edx s HIS 78 Ca 0.18 -1.62 0.02 0.00 -0.15 0.00 0.00 55.06 53.49 2edx s HIS 78 Cb 0.11 -3.13 0.11 0.00 1.11 0.00 0.00 32.58 30.78 2edx s HIS 78 CO 0.25 -0.89 0.78 -1.13 -0.85 0.00 0.00 174.74 172.89 2edx n SER 79 N 4.92 1.40 -3.79 1.40 3.41 -1.26 -4.82 113.62 114.88 2edx n SER 79 Ca -0.09 -2.10 -0.10 0.00 -0.26 0.00 0.00 58.87 56.32 2edx n SER 79 Cb 0.42 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.34 -0.10 -0.02 4.04 1.04 -1.26 -0.02 113.70 117.04 2edx s SER 80 Ca 0.08 -0.57 -0.17 0.00 0.48 0.00 0.00 55.95 55.77 2edx s SER 80 Cb 0.05 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.67 2edx s SER 80 CO 0.03 -0.89 0.35 0.86 0.98 0.00 0.00 173.24 174.57 2edx s TRP 81 N -3.88 -0.24 -0.48 5.02 -0.11 0.70 -4.97 118.94 114.97 2edx s TRP 81 Ca 0.09 0.39 -0.06 0.00 1.22 0.00 0.00 56.10 57.74 2edx s TRP 81 Cb 0.02 0.13 0.13 0.00 -1.50 0.00 0.00 33.47 32.25 2edx s TRP 81 CO -0.06 -0.41 0.31 0.16 -4.62 0.00 0.00 176.95 172.33 2edx s ASP 82 N -1.26 5.47 0.41 5.86 -4.77 -1.26 -1.17 116.67 119.96 2edx s ASP 82 Ca -0.13 -2.14 -0.25 0.00 -3.30 0.00 0.00 52.55 46.73 2edx s ASP 82 Cb -0.05 -1.91 -0.08 0.00 -1.09 0.00 0.00 42.92 39.79 2edx s ASP 82 CO 0.05 -0.57 1.26 -0.76 0.70 0.00 0.00 175.17 175.84 2edx s LEU 83 N 1.00 4.18 -0.06 2.11 1.43 0.41 -4.82 118.68 122.94 2edx s LEU 83 Ca 0.09 2.55 -0.02 0.00 -1.03 0.00 0.00 54.13 55.72 2edx s LEU 83 Cb -0.23 -3.97 0.04 0.00 0.03 0.00 0.00 46.19 42.05 2edx s LEU 83 CO -0.03 -0.84 0.12 0.68 0.23 0.00 0.00 176.35 176.51 2edx s VAL 84 N -1.32 -0.06 0.00 -1.59 -7.23 -1.26 -0.83 120.40 108.10 2edx s VAL 84 Ca 0.58 0.20 0.00 0.00 -1.81 0.00 0.00 61.98 60.95 2edx s VAL 84 Cb -0.36 -0.21 0.00 0.00 0.56 0.00 0.00 36.38 36.37 2edx s VAL 84 CO 0.45 0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.94 2edx n GLY 85 N 4.29 0.84 3.58 2.32 0.00 -0.61 -5.03 105.19 110.59 2edx n GLY 85 Ca -0.25 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 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 2.45 0.63 0.99 1.43 -1.18 -5.08 118.68 117.92 2edx s LEU 86 Ca 0.00 -1.46 -0.12 0.00 -1.03 0.00 0.00 54.13 51.52 2edx s LEU 86 Cb 0.00 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.57 2edx s LEU 86 CO 0.00 -0.63 1.04 -0.70 0.23 0.00 0.00 176.35 176.29 2edx s GLU 87 N -3.80 3.40 0.04 1.70 2.56 -1.26 -4.53 118.70 116.82 2edx s GLU 87 Ca 0.29 0.89 -0.10 0.00 0.00 0.00 0.00 54.97 56.05 2edx s GLU 87 Cb 0.07 -2.05 -0.05 0.00 2.00 0.00 0.00 34.13 34.09 2edx s GLU 87 CO 0.14 -0.73 0.36 0.15 -0.56 0.00 0.00 175.26 174.62 2edx s LYS 88 N -4.89 3.72 -1.27 4.30 1.02 -1.25 -4.39 119.74 117.00 2edx s LYS 88 Ca 0.57 0.13 -0.04 0.00 0.02 0.00 0.00 55.97 56.66 2edx s LYS 88 Cb -0.12 -3.05 -0.01 0.00 -0.52 0.00 0.00 37.83 34.13 2edx s LYS 88 CO 0.50 0.61 0.71 1.87 -0.92 0.00 0.00 175.35 178.12 2edx n TRP 89 N 1.11 -1.94 -3.73 3.18 -0.00 -0.67 -4.95 117.44 110.44 2edx n TRP 89 Ca -0.10 0.78 -0.13 0.00 -0.00 0.00 0.00 57.50 58.05 2edx n TRP 89 Cb 0.52 -4.19 -0.10 0.00 -0.00 0.00 0.00 31.31 27.54 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 -3.64 -0.00 0.43 5.87 2.01 -1.26 -4.88 115.64 114.17 2edx s THR 90 Ca 0.11 0.01 -0.23 0.00 0.31 0.00 0.00 61.69 61.88 2edx s THR 90 Cb -0.03 -0.56 -0.08 0.00 0.01 0.00 0.00 72.50 71.84 2edx s THR 90 CO 0.82 0.00 1.10 -0.70 -0.69 0.00 0.00 174.62 175.15 2edx s GLU 91 N 0.29 3.95 -0.04 4.92 2.12 -1.26 -3.30 118.70 125.38 2edx s GLU 91 Ca -0.01 1.62 -0.02 0.00 0.36 0.00 0.00 54.97 56.92 2edx s GLU 91 Cb -0.03 -2.44 0.03 0.00 0.26 0.00 0.00 34.13 31.94 2edx s GLU 91 CO -0.00 -0.35 0.09 0.71 -0.54 0.00 0.00 175.26 175.17 2edx s TYR 92 N -1.63 -0.08 -0.46 5.30 1.51 -1.11 -3.47 117.35 117.40 2edx s TYR 92 Ca 0.61 0.31 -0.22 0.00 -1.01 0.00 0.00 57.07 56.77 2edx s TYR 92 Cb -0.25 -0.11 0.03 0.00 -0.11 0.00 0.00 41.96 41.52 2edx s TYR 92 CO 0.30 -0.12 0.71 1.03 -1.11 0.00 0.00 175.55 176.37 2edx s ARG 93 N 0.93 3.30 -0.12 -0.62 0.52 -0.72 -3.81 118.95 118.43 2edx s ARG 93 Ca -0.07 -0.35 -0.10 0.00 -0.52 0.00 0.00 55.73 54.68 2edx s ARG 93 Cb -0.10 -3.98 -0.05 0.00 0.52 0.00 0.00 34.95 31.35 2edx s ARG 93 CO -0.04 -1.12 0.22 0.08 0.02 0.00 0.00 175.30 174.46 2edx s VAL 94 N 3.06 5.36 -0.22 3.52 1.01 -1.26 -2.34 120.40 129.53 2edx s VAL 94 Ca 0.25 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.63 2edx s VAL 94 Cb -0.14 -3.52 0.06 0.00 0.00 0.00 0.00 36.38 32.78 2edx s VAL 94 CO 0.19 0.54 -0.06 0.26 0.00 0.00 0.00 175.10 176.03 2edx s TRP 95 N -0.50 2.26 -0.14 5.22 0.51 0.10 -3.75 118.94 122.63 2edx s TRP 95 Ca 0.16 -1.62 -0.01 0.00 -2.12 0.00 0.00 56.10 52.50 2edx s TRP 95 Cb -0.13 -1.53 -0.02 0.00 -0.81 0.00 0.00 33.47 30.98 2edx s TRP 95 CO 0.05 -0.75 -0.10 0.54 -0.51 0.00 0.00 176.95 176.18 2edx s VAL 96 N 1.44 3.29 0.26 4.03 0.11 -1.26 -1.53 120.40 126.74 2edx s VAL 96 Ca -0.04 -0.57 0.01 0.00 -2.93 0.00 0.00 61.98 58.45 2edx s VAL 96 Cb -0.18 -2.41 -0.05 0.00 -1.53 0.00 0.00 36.38 32.21 2edx s VAL 96 CO -0.07 0.51 0.12 0.00 -3.33 0.00 0.00 175.10 172.33 2edx s ARG 97 N 0.45 1.40 -0.07 1.54 1.70 -0.87 -3.57 118.95 119.53 2edx s ARG 97 Ca -0.08 -1.77 0.01 0.00 -0.47 0.00 0.00 55.73 53.42 2edx s ARG 97 Cb -0.15 -0.09 -0.03 0.00 -0.57 0.00 0.00 34.95 34.11 2edx s ARG 97 CO 0.04 -0.36 -0.07 0.00 -1.08 0.00 0.00 175.30 173.83 2edx s ALA 98 N -3.82 2.95 -0.07 7.88 0.00 -1.26 -2.26 121.76 125.18 2edx s ALA 98 Ca 0.38 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.46 2edx s ALA 98 Cb 0.07 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 2edx s ALA 98 CO 0.14 0.54 -0.09 -1.01 0.00 0.00 0.00 175.76 175.35 2edx s HIS 99 N -0.71 2.87 0.30 0.00 3.76 -0.09 -3.80 115.29 117.60 2edx s HIS 99 Ca 0.11 -0.10 0.08 0.00 -0.15 0.00 0.00 55.06 55.00 2edx s HIS 99 Cb -0.11 -1.71 -0.04 0.00 1.11 0.00 0.00 32.58 31.83 2edx s HIS 99 CO 0.02 0.23 0.17 0.95 -0.85 0.00 0.00 174.74 175.25 2edx s THR 100 N -0.63 3.66 0.46 1.30 -4.23 0.66 -0.52 115.64 116.34 2edx s THR 100 Ca 0.09 -1.57 0.19 0.00 -1.18 0.00 0.00 61.69 59.22 2edx s THR 100 Cb -0.11 -3.13 0.38 0.00 1.34 0.00 0.00 72.50 70.97 2edx s THR 100 CO 0.02 -0.27 1.93 -0.78 -0.54 0.00 0.00 174.62 174.98 2edx h ASP 101 N 1.52 0.27 0.96 3.99 1.82 -1.87 0.31 116.42 123.43 2edx h ASP 101 Ca -0.45 0.02 -0.06 0.00 -0.39 0.00 0.00 57.03 56.14 2edx h ASP 101 Cb 1.25 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 41.21 2edx h ASP 101 CO 0.61 0.14 -0.30 -0.37 -1.61 0.00 0.00 179.24 177.70 2edx h VAL 102 N 0.29 0.70 0.00 2.25 -1.51 -1.92 -3.49 116.25 112.57 2edx h VAL 102 Ca 0.35 -1.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.46 2edx h VAL 102 Cb 0.97 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 32.02 2edx h VAL 102 CO -0.09 0.30 0.00 0.61 -1.23 0.00 0.00 177.57 177.16 2edx n GLY 103 N 0.29 -1.29 0.00 5.19 0.00 0.11 -4.71 105.19 104.78 2edx n GLY 103 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2edx n GLY 103 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2edx n PRO 104 N -0.85 -0.94 -1.44 1.61 -0.04 -1.26 -0.24 135.00 131.84 2edx n PRO 104 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 2edx n PRO 104 Cb 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2edx n PRO 104 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2edx n GLY 105 N 2.45 2.59 3.66 0.55 0.00 -1.25 -4.63 105.19 108.56 2edx n GLY 105 Ca 0.00 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 2edx n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edx s PRO 106 N -2.02 0.02 0.57 1.61 0.04 -1.26 -4.94 135.00 129.01 2edx s PRO 106 Ca 0.01 0.38 0.04 0.00 0.04 0.00 0.00 61.00 61.47 2edx s PRO 106 Cb -0.00 -1.70 0.06 0.00 0.04 0.00 0.00 34.50 32.90 2edx s PRO 106 CO 0.01 -2.98 0.78 -1.83 0.04 0.00 0.00 177.00 173.02 2edx s GLU 107 N -5.04 2.35 0.35 4.56 1.03 -1.26 -4.55 118.70 116.14 2edx s GLU 107 Ca 0.67 -1.15 0.03 0.00 0.03 0.00 0.00 54.97 54.54 2edx s GLU 107 Cb -0.17 -2.55 0.03 0.00 -0.80 0.00 0.00 34.13 30.64 2edx s GLU 107 CO 0.57 -0.82 0.22 -1.13 -1.33 0.00 0.00 175.26 172.78 2edx n SER 108 N -2.32 2.24 -4.66 0.83 3.41 -1.23 -4.95 113.62 106.94 2edx n SER 108 Ca 0.11 -2.25 -0.43 0.00 -0.26 0.00 0.00 58.87 56.05 2edx n SER 108 Cb 0.60 0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.54 2edx n SER 108 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2edx s SER 109 N -3.03 6.85 0.01 4.04 0.01 -1.26 -4.82 113.70 115.51 2edx s SER 109 Ca 0.17 1.90 -0.30 0.00 1.31 0.00 0.00 55.95 59.03 2edx s SER 109 Cb -0.01 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.62 2edx s SER 109 CO 0.11 -0.81 1.44 -2.16 0.41 0.00 0.00 173.24 172.23 2edx s PRO 110 N 3.57 4.27 -0.24 12.44 0.04 -1.26 -4.89 135.00 148.93 2edx s PRO 110 Ca 0.62 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 63.56 2edx s PRO 110 Cb -0.26 -3.57 -0.05 0.00 0.04 0.00 0.00 34.50 30.66 2edx s PRO 110 CO 0.21 -0.60 0.23 0.08 0.04 0.00 0.00 177.00 176.96 2edx s VAL 111 N 2.41 5.30 -0.33 -0.36 1.01 -1.25 -4.92 120.40 122.27 2edx s VAL 111 Ca 0.65 0.32 -0.27 0.00 0.00 0.00 0.00 61.98 62.69 2edx s VAL 111 Cb -0.33 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.50 2edx s VAL 111 CO 0.27 0.30 0.96 -0.76 0.00 0.00 0.00 175.10 175.87 2edx s LEU 112 N 1.29 3.99 -0.07 3.92 1.43 -1.26 -4.01 118.68 123.97 2edx s LEU 112 Ca 0.10 0.82 0.04 0.00 -1.03 0.00 0.00 54.13 54.06 2edx s LEU 112 Cb -0.14 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.73 2edx s LEU 112 CO 0.07 -0.81 -0.18 0.68 0.23 0.00 0.00 176.35 176.34 2edx s VAL 113 N 3.43 1.56 -0.44 -1.59 -7.23 -1.25 -4.98 120.40 109.90 2edx s VAL 113 Ca 0.40 -0.75 -0.13 0.00 -1.81 0.00 0.00 61.98 59.69 2edx s VAL 113 Cb -0.13 -1.36 0.06 0.00 0.56 0.00 0.00 36.38 35.52 2edx s VAL 113 CO 0.16 0.45 0.32 -0.60 -0.31 0.00 0.00 175.10 175.11 2edx s ARG 114 N 0.29 2.83 0.95 4.82 3.52 -1.26 -2.73 118.95 127.37 2edx s ARG 114 Ca -0.11 -1.33 -0.13 0.00 -0.13 0.00 0.00 55.73 54.03 2edx s ARG 114 Cb -0.15 -3.95 0.02 0.00 -1.56 0.00 0.00 34.95 29.31 2edx s ARG 114 CO 0.05 -0.94 0.31 0.25 -0.81 0.00 0.00 175.30 174.16 2edx n THR 115 N 5.08 0.03 -1.71 4.11 -2.24 -1.21 -4.84 114.28 113.50 2edx n THR 115 Ca -0.11 -0.22 -0.36 0.00 -2.27 0.00 0.00 64.05 61.09 2edx n THR 115 Cb 0.44 -0.57 0.07 0.00 -2.10 0.00 0.00 70.33 68.17 2edx n THR 115 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2edx s ASP 116 N -1.92 4.61 0.25 3.42 1.11 0.07 -3.46 116.67 120.75 2edx s ASP 116 Ca 0.55 2.48 -0.11 0.00 0.18 0.00 0.00 52.55 55.65 2edx s ASP 116 Cb -0.21 -2.60 -0.08 0.00 1.07 0.00 0.00 42.92 41.10 2edx s ASP 116 CO 0.69 -1.99 0.59 -1.83 1.18 0.00 0.00 175.17 173.81 2edx s GLU 117 N -3.54 3.85 -0.09 8.23 1.03 -1.26 -1.67 118.70 125.25 2edx s GLU 117 Ca 0.79 0.37 -0.15 0.00 0.03 0.00 0.00 54.97 56.01 2edx s GLU 117 Cb -0.33 -2.60 -0.28 0.00 -0.80 0.00 0.00 34.13 30.12 2edx s GLU 117 CO 0.40 0.28 0.59 0.22 -1.33 0.00 0.00 175.26 175.42 2edx h ASP 118 N 2.50 0.45 -3.93 0.83 3.58 -1.94 -3.47 116.42 114.43 2edx h ASP 118 Ca -0.47 -0.88 -0.50 0.00 0.42 0.00 0.00 57.03 55.60 2edx h ASP 118 Cb 1.17 -0.15 0.04 0.00 1.72 0.00 0.00 39.33 42.11 2edx h ASP 118 CO 0.68 1.66 0.46 0.68 -2.88 0.00 0.00 179.24 179.85 2edx s VAL 119 N -2.50 3.40 -2.00 2.25 -7.23 -1.26 -4.90 120.40 108.16 2edx s VAL 119 Ca -0.19 1.16 0.09 0.00 -1.81 0.00 0.00 61.98 61.24 2edx s VAL 119 Cb 0.05 -3.64 0.26 0.00 0.56 0.00 0.00 36.38 33.60 2edx s VAL 119 CO 0.79 0.09 0.99 -0.81 -0.31 0.00 0.00 175.10 175.85 2edx n PRO 120 N 0.14 0.49 -2.87 4.82 -0.04 -1.26 -4.77 135.00 131.51 2edx n PRO 120 Ca 0.04 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.13 2edx n PRO 120 Cb 0.47 -1.29 -0.06 0.00 -0.04 0.00 0.00 33.50 32.58 2edx n PRO 120 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2edx s SER 121 N -1.79 7.33 0.00 3.54 0.15 -1.26 -5.00 113.70 116.67 2edx s SER 121 Ca 0.14 1.74 0.00 0.00 0.70 0.00 0.00 55.95 58.53 2edx s SER 121 Cb 0.06 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2edx s SER 121 CO 0.11 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.17 2edx n GLY 122 N 0.85 4.82 3.77 9.45 0.00 -1.26 -5.02 105.19 117.79 2edx n GLY 122 Ca -0.00 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 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 -4.36 4.36 0.00 1.61 0.04 -1.26 -4.89 135.00 130.49 2edx s PRO 123 Ca 0.00 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2edx s PRO 123 Cb 0.00 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.53 2edx s PRO 123 CO 0.00 -0.11 0.40 -0.35 0.04 0.00 0.00 177.00 176.98 2edx n PRO 124 N 0.74 0.49 -2.76 0.56 -0.04 -1.26 -4.80 135.00 127.93 2edx n PRO 124 Ca 0.01 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.12 2edx n PRO 124 Cb 0.44 -1.09 -0.06 0.00 -0.04 0.00 0.00 33.50 32.75 2edx n PRO 124 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2edx s ARG 125 N -1.65 4.29 0.06 0.54 0.52 -1.26 -5.06 118.95 116.39 2edx s ARG 125 Ca 0.00 1.23 -0.26 0.00 -0.52 0.00 0.00 55.73 56.18 2edx s ARG 125 Cb 0.00 -2.38 0.09 0.00 0.52 0.00 0.00 34.95 33.17 2edx s ARG 125 CO 0.00 0.02 0.74 0.21 0.02 0.00 0.00 175.30 176.29 2edx s LYS 126 N -2.80 1.04 0.11 3.54 2.20 -1.26 -5.17 119.74 117.39 2edx s LYS 126 Ca 0.59 -0.32 0.01 0.00 -0.36 0.00 0.00 55.97 55.89 2edx s LYS 126 Cb -0.13 0.48 -0.04 0.00 -1.51 0.00 0.00 37.83 36.63 2edx s LYS 126 CO 0.18 -0.44 0.24 0.54 -0.36 0.00 0.00 175.35 175.51 2edx s VAL 127 N -3.19 5.34 0.05 4.02 0.11 -1.26 -5.12 120.40 120.35 2edx s VAL 127 Ca 0.02 -0.55 0.02 0.00 -2.93 0.00 0.00 61.98 58.54 2edx s VAL 127 Cb -0.01 -3.68 -0.03 0.00 -1.53 0.00 0.00 36.38 31.14 2edx s VAL 127 CO -0.09 0.02 -0.08 -0.70 -3.33 0.00 0.00 175.10 170.92 2edx s GLU 128 N -2.87 0.59 0.09 1.54 2.12 -1.26 -5.17 118.70 113.75 2edx s GLU 128 Ca 0.35 -0.86 -0.05 0.00 0.36 0.00 0.00 54.97 54.77 2edx s GLU 128 Cb -0.12 -0.31 -0.02 0.00 0.26 0.00 0.00 34.13 33.94 2edx s GLU 128 CO 0.28 0.05 0.12 0.45 -0.54 0.00 0.00 175.26 175.62 2edx s SER 129 N -1.81 0.24 0.27 -1.70 0.15 -1.26 -5.14 113.70 104.45 2edx s SER 129 Ca -0.06 -0.86 -0.29 0.00 0.70 0.00 0.00 55.95 55.43 2edx s SER 129 Cb -0.08 0.31 -0.10 0.00 -1.71 0.00 0.00 66.02 64.44 2edx s SER 129 CO -0.00 -0.72 1.32 -0.83 1.20 0.00 0.00 173.24 174.21 2edx s GLY 130 N -2.92 2.70 0.64 9.45 0.00 -1.26 -5.00 107.32 110.94 2edx s GLY 130 Ca 0.10 1.20 -0.15 0.00 0.00 0.00 0.00 44.72 45.87 2edx s GLY 130 CO -0.07 2.00 1.11 2.56 0.00 0.00 0.00 173.10 178.70 2edx s PRO 131 N -0.97 2.87 0.26 2.90 0.04 -1.26 -5.04 135.00 133.80 2edx s PRO 131 Ca 0.53 1.41 -0.06 0.00 0.04 0.00 0.00 61.00 62.92 2edx s PRO 131 Cb -0.39 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.14 2edx s PRO 131 CO 0.46 -1.20 0.55 -1.54 0.04 0.00 0.00 177.00 175.31 2edx s SER 132 N -2.50 6.50 -0.08 6.66 1.04 -1.26 -5.04 113.70 119.03 2edx s SER 132 Ca 0.67 0.78 -0.12 0.00 0.48 0.00 0.00 55.95 57.76 2edx s SER 132 Cb -0.21 -2.17 -0.09 0.00 0.10 0.00 0.00 66.02 63.66 2edx s SER 132 CO 0.40 -0.15 0.44 0.28 0.98 0.00 0.00 173.24 175.19 2edx h SER 133 N 2.01 -0.15 0.00 7.02 0.02 -2.07 -3.57 113.55 116.81 2edx h SER 133 Ca -0.47 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 2edx h SER 133 Cb 1.18 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2edx h SER 133 CO 0.67 0.40 0.00 0.61 -1.14 0.00 0.00 176.83 177.38