#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edr s SER 2 N 0.00 6.05 -0.42 1.61 0.01 -1.26 -5.07 113.70 114.62 2edr s SER 2 Ca 0.00 0.36 -0.25 0.00 1.31 0.00 0.00 55.95 57.37 2edr s SER 2 Cb 0.00 -1.88 0.02 0.00 0.21 0.00 0.00 66.02 64.37 2edr s SER 2 CO 0.00 0.38 0.87 -0.55 0.41 0.00 0.00 173.24 174.35 2edr s SER 3 N -1.11 6.53 0.00 2.44 0.15 -1.26 -4.84 113.70 115.61 2edr s SER 3 Ca 0.16 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.02 2edr s SER 3 Cb -0.12 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2edr s SER 3 CO 0.05 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.19 2edr n GLY 4 N 4.75 -1.94 3.46 9.45 0.00 -1.26 -5.14 105.19 114.51 2edr n GLY 4 Ca 0.05 0.94 -0.31 0.00 0.00 0.00 0.00 46.02 46.70 2edr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2edr s SER 5 N 0.00 3.84 -1.45 1.61 0.15 -1.26 -4.65 113.70 111.94 2edr s SER 5 Ca 0.00 -0.34 -0.18 0.00 0.70 0.00 0.00 55.95 56.13 2edr s SER 5 Cb 0.00 -0.68 0.18 0.00 -1.71 0.00 0.00 66.02 63.81 2edr s SER 5 CO 0.00 0.29 0.47 -1.54 1.20 0.00 0.00 173.24 173.67 2edr n SER 6 N 1.87 -1.77 -4.43 5.45 3.41 -1.26 -4.90 113.62 112.00 2edr n SER 6 Ca -0.16 -0.84 -0.29 0.00 -0.26 0.00 0.00 58.87 57.32 2edr n SER 6 Cb 0.52 -1.56 -0.12 0.00 -0.26 0.00 0.00 64.21 62.79 2edr n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2edr s GLY 7 N -2.96 1.61 1.23 5.00 0.00 -1.26 -5.14 107.32 105.80 2edr s GLY 7 Ca 0.64 -1.38 -0.20 0.00 0.00 0.00 0.00 44.72 43.78 2edr s GLY 7 CO 0.79 -1.34 1.11 2.56 0.00 0.00 0.00 173.10 176.22 2edr s PRO 8 N -1.95 -1.49 0.02 2.90 0.04 -1.26 -4.91 135.00 128.35 2edr s PRO 8 Ca 0.15 -0.16 -0.30 0.00 0.04 0.00 0.00 61.00 60.73 2edr s PRO 8 Cb -0.10 -1.57 -0.08 0.00 0.04 0.00 0.00 34.50 32.78 2edr s PRO 8 CO 0.07 -3.87 1.93 0.00 0.04 0.00 0.00 177.00 175.17 2edr s ALA 9 N -3.02 3.58 0.28 8.56 0.00 -1.26 -4.96 121.76 124.94 2edr s ALA 9 Ca 0.72 1.27 -0.24 0.00 0.00 0.00 0.00 51.96 53.71 2edr s ALA 9 Cb -0.08 -3.83 -0.09 0.00 0.00 0.00 0.00 23.12 19.11 2edr s ALA 9 CO 0.56 -1.56 0.87 -3.38 0.00 0.00 0.00 175.76 172.25 2edr s HIS 10 N 4.43 3.70 -0.33 0.00 -3.43 -1.26 -4.60 115.29 113.81 2edr s HIS 10 Ca 0.87 1.66 -0.29 0.00 -0.80 0.00 0.00 55.06 56.50 2edr s HIS 10 Cb -0.41 -2.82 -0.01 0.00 -1.43 0.00 0.00 32.58 27.90 2edr s HIS 10 CO 0.40 0.28 1.68 -0.06 -2.00 0.00 0.00 174.74 175.04 2edr s PHE 11 N -1.54 1.99 -0.13 0.38 0.08 -1.26 0.02 117.98 117.52 2edr s PHE 11 Ca 0.47 0.62 0.17 0.00 0.12 0.00 0.00 56.93 58.30 2edr s PHE 11 Cb -0.19 -4.15 -0.23 0.00 -0.57 0.00 0.00 43.02 37.88 2edr s PHE 11 CO 0.23 -2.74 0.40 0.44 -0.10 0.00 0.00 175.22 173.45 2edr n ILE 12 N 7.19 1.28 -3.08 0.64 -5.35 -1.23 -4.55 119.36 114.25 2edr n ILE 12 Ca 0.21 -0.78 -0.27 0.00 -0.27 0.00 0.00 62.75 61.64 2edr n ILE 12 Cb 0.47 -0.62 -0.05 0.00 -1.74 0.00 0.00 39.64 37.69 2edr n ILE 12 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2edr n GLY 13 N 1.59 5.35 2.60 3.28 0.00 -1.24 -5.00 105.19 111.76 2edr n GLY 13 Ca -0.22 -2.76 -0.32 0.00 0.00 0.00 0.00 46.02 42.72 2edr n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2edr n ARG 14 N 0.08 0.00 -0.28 1.61 1.74 -1.26 -2.98 116.66 115.57 2edr n ARG 14 Ca 0.31 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.26 2edr n ARG 14 Cb 0.40 -0.79 0.12 0.00 -1.02 0.00 0.00 32.46 31.17 2edr n ARG 14 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2edr n LEU 15 N 1.92 0.00 -3.67 0.55 4.77 -1.26 -4.85 117.00 114.45 2edr n LEU 15 Ca 0.08 -0.36 -0.13 0.00 -0.03 0.00 0.00 56.01 55.57 2edr n LEU 15 Cb 0.34 -0.53 -0.13 0.00 -2.33 0.00 0.00 43.42 40.77 2edr n LEU 15 CO 0.43 -2.11 -0.11 0.00 -1.33 0.00 0.00 177.39 174.27 2edr s ARG 16 N -3.18 0.18 -0.35 3.23 1.70 -1.26 -4.95 118.95 114.32 2edr s ARG 16 Ca 0.27 0.75 -0.43 0.00 -0.47 0.00 0.00 55.73 55.85 2edr s ARG 16 Cb -0.05 -0.01 -0.18 0.00 -0.57 0.00 0.00 34.95 34.14 2edr s ARG 16 CO 0.23 -0.26 1.60 1.58 -1.08 0.00 0.00 175.30 177.37 2edr n HIS 17 N 5.17 1.77 -4.38 5.89 -0.00 -1.26 -4.89 115.22 117.52 2edr n HIS 17 Ca -0.09 0.89 -0.26 0.00 -0.00 0.00 0.00 57.72 58.25 2edr n HIS 17 Cb 0.50 -2.31 -0.13 0.00 -0.00 0.00 0.00 29.99 28.05 2edr n HIS 17 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 2edr s GLN 18 N 2.85 1.27 -0.15 1.57 -2.07 -1.13 -5.00 119.66 117.00 2edr s GLN 18 Ca 1.00 -1.21 -0.01 0.00 -1.82 0.00 0.00 55.36 53.33 2edr s GLN 18 Cb -1.30 -1.60 -0.01 0.00 -1.09 0.00 0.00 33.01 29.01 2edr s GLN 18 CO 0.72 0.38 -0.11 -2.00 -1.32 0.00 0.00 175.29 172.97 2edr s GLU 19 N -1.87 3.40 0.29 9.60 -6.30 -1.26 -2.44 118.70 120.12 2edr s GLU 19 Ca 0.09 -0.66 0.01 0.00 -2.50 0.00 0.00 54.97 51.91 2edr s GLU 19 Cb -0.10 -2.73 -0.00 0.00 0.00 0.00 0.00 34.13 31.30 2edr s GLU 19 CO 0.05 0.12 0.02 -1.13 0.02 0.00 0.00 175.26 174.34 2edr n SER 20 N 3.81 2.48 -4.18 -1.70 3.41 0.94 -4.98 113.62 113.40 2edr n SER 20 Ca -0.18 -2.32 -0.25 0.00 -0.26 0.00 0.00 58.87 55.86 2edr n SER 20 Cb 0.52 0.30 -0.15 0.00 -0.26 0.00 0.00 64.21 64.62 2edr n SER 20 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2edr s ILE 21 N -2.17 1.40 0.01 -1.33 1.01 -1.26 -1.66 121.20 117.20 2edr s ILE 21 Ca 0.03 -0.84 -0.36 0.00 0.00 0.00 0.00 60.65 59.48 2edr s ILE 21 Cb 0.00 -1.18 -0.15 0.00 0.01 0.00 0.00 42.46 41.14 2edr s ILE 21 CO 0.02 0.33 1.57 1.21 0.00 0.00 0.00 174.94 178.07 2edr n GLU 22 N 2.46 1.59 0.00 2.79 2.13 0.46 -1.12 120.64 128.95 2edr n GLU 22 Ca -0.15 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.24 2edr n GLU 22 Cb 0.54 -2.29 0.00 0.00 0.27 0.00 0.00 31.44 29.96 2edr n GLU 22 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2edr n GLY 23 N 3.38 2.81 1.76 8.31 0.00 0.16 -4.11 105.19 117.51 2edr n GLY 23 Ca 0.20 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 2edr n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2edr n ALA 24 N 0.00 -2.42 -3.85 4.61 0.00 -0.28 -2.98 120.51 115.59 2edr n ALA 24 Ca 0.00 -0.71 -0.34 0.00 0.00 0.00 0.00 53.44 52.40 2edr n ALA 24 Cb 0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 19.45 19.25 2edr n ALA 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2edr s THR 25 N -1.53 2.69 0.81 0.00 2.01 -1.26 -1.01 115.64 117.35 2edr s THR 25 Ca 0.31 -1.73 -0.11 0.00 0.31 0.00 0.00 61.69 60.47 2edr s THR 25 Cb -0.05 -2.68 0.07 0.00 0.01 0.00 0.00 72.50 69.85 2edr s THR 25 CO 0.26 -0.27 1.09 0.00 -0.69 0.00 0.00 174.62 175.01 2edr s ALA 26 N 1.13 2.09 -0.30 7.40 0.00 0.01 -4.86 121.76 127.24 2edr s ALA 26 Ca -0.01 0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.98 2edr s ALA 26 Cb -0.20 -3.20 0.19 0.00 0.00 0.00 0.00 23.12 19.91 2edr s ALA 26 CO -0.04 -1.86 0.59 0.99 0.00 0.00 0.00 175.76 175.45 2edr s THR 27 N -2.99 -0.99 0.37 0.00 2.01 -1.26 -2.05 115.64 110.72 2edr s THR 27 Ca 0.61 -0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.64 2edr s THR 27 Cb -0.16 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.33 2edr s THR 27 CO 0.56 -0.00 0.55 -0.76 -0.69 0.00 0.00 174.62 174.27 2edr s LEU 28 N 2.85 3.91 -0.19 4.42 1.43 -0.06 -4.91 118.68 126.12 2edr s LEU 28 Ca 0.18 0.16 -0.17 0.00 -1.03 0.00 0.00 54.13 53.27 2edr s LEU 28 Cb -0.14 -3.04 0.05 0.00 0.03 0.00 0.00 46.19 43.09 2edr s LEU 28 CO -0.22 -0.45 0.52 -0.60 0.23 0.00 0.00 176.35 175.82 2edr s ARG 29 N -4.32 0.59 0.29 1.70 3.52 -1.26 -1.84 118.95 117.64 2edr s ARG 29 Ca 0.44 0.74 0.06 0.00 -0.13 0.00 0.00 55.73 56.83 2edr s ARG 29 Cb -0.10 0.27 -0.02 0.00 -1.56 0.00 0.00 34.95 33.54 2edr s ARG 29 CO 0.34 -0.08 0.26 0.00 -0.81 0.00 0.00 175.30 175.02 2edr s GLU 31 N -3.15 0.84 0.06 0.00 2.12 -1.16 -2.80 118.70 114.61 2edr s GLU 31 Ca 0.34 -1.24 0.02 0.00 0.36 0.00 0.00 54.97 54.46 2edr s GLU 31 Cb 0.02 -0.39 -0.03 0.00 0.26 0.00 0.00 34.13 33.98 2edr s GLU 31 CO 0.24 0.04 -0.07 -0.51 -0.54 0.00 0.00 175.26 174.42 2edr s LEU 32 N -2.71 2.33 0.62 2.70 1.43 -0.87 -3.53 118.68 118.64 2edr s LEU 32 Ca 0.08 -0.69 0.31 0.00 -1.03 0.00 0.00 54.13 52.80 2edr s LEU 32 Cb 0.01 -0.11 1.70 0.00 0.03 0.00 0.00 46.19 47.82 2edr s LEU 32 CO -0.02 -0.30 2.04 -1.28 0.23 0.00 0.00 176.35 177.03 2edr h SER 33 N 4.04 0.00 -3.30 2.29 0.87 -0.66 -3.43 113.55 113.35 2edr h SER 33 Ca -0.35 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.31 2edr h SER 33 Cb 1.19 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.89 2edr h SER 33 CO 0.48 0.00 0.60 -1.59 -0.53 0.00 0.00 176.83 175.80 2edr s LYS 34 N -4.45 0.41 -0.72 2.24 -2.85 -1.26 -4.94 119.74 108.17 2edr s LYS 34 Ca -0.04 0.31 -0.32 0.00 -1.00 0.00 0.00 55.97 54.92 2edr s LYS 34 Cb 0.13 0.20 -0.19 0.00 -2.06 0.00 0.00 37.83 35.92 2edr s LYS 34 CO 0.47 -0.09 2.21 0.00 0.10 0.00 0.00 175.35 178.04 2edr n ALA 35 N 1.48 0.23 -2.94 0.59 0.00 -1.26 -4.67 120.51 113.94 2edr n ALA 35 Ca -0.10 -0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.15 2edr n ALA 35 Cb 0.57 -1.95 -0.09 0.00 0.00 0.00 0.00 19.45 17.97 2edr n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2edr s ALA 36 N 6.96 -0.25 0.25 0.00 0.00 -1.26 -4.88 121.76 122.59 2edr s ALA 36 Ca 1.15 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 2edr s ALA 36 Cb -1.20 0.19 -0.09 0.00 0.00 0.00 0.00 23.12 22.01 2edr s ALA 36 CO 0.49 -0.27 1.27 -1.25 0.00 0.00 0.00 175.76 176.00 2edr s PRO 37 N -2.00 4.43 0.35 0.00 0.04 -1.26 -4.97 135.00 131.58 2edr s PRO 37 Ca -0.10 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.01 2edr s PRO 37 Cb -0.04 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.33 2edr s PRO 37 CO -0.01 -0.14 0.06 1.33 0.04 0.00 0.00 177.00 178.27 2edr n VAL 38 N 1.84 0.00 -3.23 -0.36 0.24 -1.26 -4.57 118.33 110.99 2edr n VAL 38 Ca 0.03 -1.84 -0.02 0.00 -2.04 0.00 0.00 64.34 60.47 2edr n VAL 38 Cb 0.43 0.52 -0.04 0.00 -1.47 0.00 0.00 33.84 33.28 2edr n VAL 38 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2edr s GLU 39 N -3.30 0.48 0.56 7.34 2.12 0.23 -4.94 118.70 121.19 2edr s GLU 39 Ca 0.08 0.66 -0.19 0.00 0.36 0.00 0.00 54.97 55.88 2edr s GLU 39 Cb 0.00 0.07 -0.05 0.00 0.26 0.00 0.00 34.13 34.41 2edr s GLU 39 CO 0.06 -0.76 1.14 -1.58 -0.54 0.00 0.00 175.26 173.58 2edr s TRP 40 N 2.72 2.61 -0.05 5.30 0.52 -1.26 -1.21 118.94 127.57 2edr s TRP 40 Ca 0.15 1.54 -0.02 0.00 0.02 0.00 0.00 56.10 57.79 2edr s TRP 40 Cb -0.14 -3.32 0.03 0.00 -1.15 0.00 0.00 33.47 28.89 2edr s TRP 40 CO -0.22 -1.71 0.07 1.03 0.02 0.00 0.00 176.95 176.14 2edr s ARG 41 N -3.32 -0.07 -0.95 4.98 0.52 0.28 0.12 118.95 120.51 2edr s ARG 41 Ca 0.73 0.36 -0.14 0.00 -0.52 0.00 0.00 55.73 56.16 2edr s ARG 41 Cb -0.25 -0.58 0.21 0.00 0.52 0.00 0.00 34.95 34.85 2edr s ARG 41 CO 0.29 -0.35 0.98 0.21 0.02 0.00 0.00 175.30 176.44 2edr s LYS 42 N 2.17 3.79 -0.18 3.54 2.20 -1.08 -0.76 119.74 129.43 2edr s LYS 42 Ca 0.05 -2.52 -0.12 0.00 -0.36 0.00 0.00 55.97 53.02 2edr s LYS 42 Cb -0.12 -4.61 0.05 0.00 -1.51 0.00 0.00 37.83 31.64 2edr s LYS 42 CO -0.03 -1.41 0.24 0.41 -0.36 0.00 0.00 175.35 174.19 2edr n GLY 43 N 3.98 -5.36 2.11 5.54 0.00 -1.12 -3.48 105.19 106.86 2edr n GLY 43 Ca 0.20 1.75 0.00 0.00 0.00 0.00 0.00 46.02 47.98 2edr n GLY 43 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2edr n ARG 44 N 1.74 -2.57 -4.33 1.61 1.85 -1.26 -4.83 116.66 108.88 2edr n ARG 44 Ca -0.41 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.27 2edr n ARG 44 Cb 0.63 -3.86 -0.10 0.00 -1.05 0.00 0.00 32.46 28.08 2edr n ARG 44 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 2edr s GLU 45 N -4.11 1.29 -0.09 2.89 2.12 -1.23 -5.15 118.70 114.42 2edr s GLU 45 Ca 0.00 -1.62 0.02 0.00 0.36 0.00 0.00 54.97 53.73 2edr s GLU 45 Cb 0.00 -0.78 -0.02 0.00 0.26 0.00 0.00 34.13 33.59 2edr s GLU 45 CO 0.00 0.02 -0.15 0.45 -0.54 0.00 0.00 175.26 175.04 2edr s SER 46 N -3.29 3.92 -0.05 -1.70 0.15 -1.26 -2.63 113.70 108.84 2edr s SER 46 Ca 0.24 -0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.57 2edr s SER 46 Cb 0.03 -1.26 -0.04 0.00 -1.71 0.00 0.00 66.02 63.05 2edr s SER 46 CO 0.07 0.24 0.07 -0.76 1.20 0.00 0.00 173.24 174.05 2edr s LEU 47 N -0.10 3.90 0.03 3.45 1.02 0.12 -4.84 118.68 122.27 2edr s LEU 47 Ca -0.02 0.21 -0.05 0.00 0.02 0.00 0.00 54.13 54.29 2edr s LEU 47 Cb -0.14 -2.10 -0.01 0.00 0.02 0.00 0.00 46.19 43.96 2edr s LEU 47 CO 0.04 0.33 0.09 -0.13 0.02 0.00 0.00 176.35 176.70 2edr s ARG 48 N -1.34 0.56 -0.09 1.70 0.52 -1.26 -4.34 118.95 114.70 2edr s ARG 48 Ca 0.18 -0.71 -0.29 0.00 -0.52 0.00 0.00 55.73 54.38 2edr s ARG 48 Cb -0.12 0.22 -0.05 0.00 0.52 0.00 0.00 34.95 35.52 2edr s ARG 48 CO 0.08 -0.14 1.65 0.34 0.02 0.00 0.00 175.30 177.26 2edr s ASP 49 N -2.02 6.59 0.00 0.23 2.15 -1.26 -4.75 116.67 117.61 2edr s ASP 49 Ca -0.06 2.10 0.00 0.00 0.43 0.00 0.00 52.55 55.01 2edr s ASP 49 Cb -0.02 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2edr s ASP 49 CO -0.04 -1.01 0.00 0.61 -0.17 0.00 0.00 175.17 174.56 2edr n GLY 50 N 4.26 5.14 0.00 2.66 0.00 -0.60 -5.02 105.19 111.62 2edr n GLY 50 Ca 0.18 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2edr n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2edr n ASP 51 N 0.00 0.00 -0.11 1.61 8.00 -1.26 -4.20 116.55 120.59 2edr n ASP 51 Ca 0.00 0.70 -0.23 0.00 0.71 0.00 0.00 54.79 55.97 2edr n ASP 51 Cb 0.00 -0.24 -0.09 0.00 -0.02 0.00 0.00 41.12 40.78 2edr n ASP 51 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2edr n ARG 52 N -1.96 0.50 -1.37 -1.24 5.12 -1.26 -4.93 116.66 111.52 2edr n ARG 52 Ca 0.00 0.20 -0.42 0.00 -1.93 0.00 0.00 57.85 55.70 2edr n ARG 52 Cb 0.00 -1.34 -0.14 0.00 -1.16 0.00 0.00 32.46 29.82 2edr n ARG 52 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 2edr n HIS 53 N -3.87 0.64 -4.04 -1.55 8.25 -1.25 -4.77 115.22 108.62 2edr n HIS 53 Ca -0.44 0.43 -0.34 0.00 -0.26 0.00 0.00 57.72 57.10 2edr n HIS 53 Cb 0.84 -2.23 -0.10 0.00 1.12 0.00 0.00 29.99 29.62 2edr n HIS 53 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2edr s SER 54 N 7.94 5.52 -0.35 0.41 0.15 -0.45 -1.56 113.70 125.35 2edr s SER 54 Ca 1.25 0.05 0.06 0.00 0.70 0.00 0.00 55.95 58.01 2edr s SER 54 Cb -1.23 -1.94 0.45 0.00 -1.71 0.00 0.00 66.02 61.58 2edr s SER 54 CO 0.49 0.17 1.23 0.18 1.20 0.00 0.00 173.24 176.51 2edr n LEU 55 N 3.58 5.05 -4.64 3.45 7.99 -1.26 -0.14 117.00 131.05 2edr n LEU 55 Ca -0.17 -4.84 -0.45 0.00 -0.01 0.00 0.00 56.01 50.54 2edr n LEU 55 Cb 0.52 -0.41 -0.02 0.00 -0.11 0.00 0.00 43.42 43.40 2edr n LEU 55 CO 0.35 2.10 0.82 -2.11 -1.51 0.00 0.00 177.39 177.04 2edr n ARG 56 N -0.66 1.72 -4.72 3.23 1.85 -1.08 -4.70 116.66 112.29 2edr n ARG 56 Ca 0.44 0.61 -0.32 0.00 -1.00 0.00 0.00 57.85 57.58 2edr n ARG 56 Cb 0.87 -2.14 -0.08 0.00 -1.05 0.00 0.00 32.46 30.05 2edr n ARG 56 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2edr s GLN 57 N -1.03 2.13 0.15 2.89 -0.21 -1.26 -1.32 119.66 121.01 2edr s GLN 57 Ca 0.64 -2.33 -0.17 0.00 0.02 0.00 0.00 55.36 53.51 2edr s GLN 57 Cb -0.68 -1.51 0.06 0.00 1.00 0.00 0.00 33.01 31.88 2edr s GLN 57 CO 0.56 -0.30 0.83 -3.47 -2.12 0.00 0.00 175.29 170.79 2edr n ASP 58 N -1.20 -1.40 -4.47 5.90 2.03 0.26 -4.94 116.55 112.72 2edr n ASP 58 Ca -0.16 -1.73 -0.16 0.00 0.52 0.00 0.00 54.79 53.26 2edr n ASP 58 Cb 0.67 2.28 -0.14 0.00 -0.72 0.00 0.00 41.12 43.20 2edr n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2edr n GLY 59 N -0.59 -0.33 3.15 0.27 0.00 -1.26 -0.92 105.19 105.52 2edr n GLY 59 Ca -0.02 0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2edr n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2edr n ALA 60 N 10.87 -1.05 -3.71 4.61 0.00 -1.26 -4.79 120.51 125.18 2edr n ALA 60 Ca 0.52 0.32 -0.13 0.00 0.00 0.00 0.00 53.44 54.15 2edr n ALA 60 Cb 0.30 -4.29 -0.13 0.00 0.00 0.00 0.00 19.45 15.32 2edr n ALA 60 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2edr s VAL 61 N -3.21 -0.14 0.20 0.00 1.01 -0.10 -2.06 120.40 116.10 2edr s VAL 61 Ca 0.37 0.19 0.11 0.00 0.00 0.00 0.00 61.98 62.65 2edr s VAL 61 Cb -0.16 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 2edr s VAL 61 CO 0.46 0.08 -0.21 0.00 0.00 0.00 0.00 175.10 175.43 2edr s GLU 63 N -2.77 0.26 -0.25 0.00 2.02 -0.43 -1.73 118.70 115.80 2edr s GLU 63 Ca 0.22 0.63 -0.05 0.00 0.02 0.00 0.00 54.97 55.80 2edr s GLU 63 Cb -0.08 -0.08 -0.00 0.00 0.10 0.00 0.00 34.13 34.07 2edr s GLU 63 CO 0.11 -0.17 -0.00 -1.17 0.02 0.00 0.00 175.26 174.05 2edr s LEU 64 N 1.39 3.22 -0.14 1.80 2.96 -0.76 -2.62 118.68 124.53 2edr s LEU 64 Ca -0.09 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.26 2edr s LEU 64 Cb -0.10 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 2edr s LEU 64 CO -0.10 -0.08 0.03 -1.58 -1.32 0.00 0.00 176.35 173.30 2edr s GLN 65 N 1.48 3.56 -0.15 1.98 0.74 0.81 -0.88 119.66 127.19 2edr s GLN 65 Ca 0.04 -0.38 -0.04 0.00 0.05 0.00 0.00 55.36 55.03 2edr s GLN 65 Cb -0.15 -3.01 0.05 0.00 1.10 0.00 0.00 33.01 31.00 2edr s GLN 65 CO -0.01 0.44 0.07 0.42 -0.55 0.00 0.00 175.29 175.66 2edr s ILE 66 N -0.14 0.07 0.71 -2.34 1.01 -0.87 -1.35 121.20 118.29 2edr s ILE 66 Ca 0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 60.65 60.53 2edr s ILE 66 Cb -0.12 -0.60 0.09 0.00 0.01 0.00 0.00 42.46 41.84 2edr s ILE 66 CO 0.02 -0.16 1.00 0.00 0.00 0.00 0.00 174.94 175.80 2edr n GLY 68 N -2.90 -0.38 3.23 0.00 0.00 -1.16 -4.89 105.19 99.09 2edr n GLY 68 Ca 0.11 0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 2edr n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2edr n LEU 69 N -4.48 -2.61 -3.67 0.99 4.77 -0.18 -4.51 117.00 107.32 2edr n LEU 69 Ca -0.13 0.22 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 2edr n LEU 69 Cb 0.60 -0.99 -0.09 0.00 -2.33 0.00 0.00 43.42 40.61 2edr n LEU 69 CO 0.74 -4.37 0.20 0.00 -1.33 0.00 0.00 177.39 172.63 2edr s ALA 70 N -2.22 -1.44 0.53 -1.18 0.00 -1.26 0.40 121.76 116.58 2edr s ALA 70 Ca 0.50 1.94 0.43 0.00 0.00 0.00 0.00 51.96 54.82 2edr s ALA 70 Cb -0.17 -1.15 1.46 0.00 0.00 0.00 0.00 23.12 23.26 2edr s ALA 70 CO 0.73 -0.32 1.40 0.28 0.00 0.00 0.00 175.76 177.85 2edr n VAL 71 N 4.20 0.00 -0.05 0.00 0.31 -1.26 0.20 118.33 121.73 2edr n VAL 71 Ca -0.21 1.34 -0.14 0.00 -0.01 0.00 0.00 64.34 65.32 2edr n VAL 71 Cb 0.57 -2.27 -0.07 0.00 -0.91 0.00 0.00 33.84 31.16 2edr n VAL 71 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2edr h ALA 72 N 0.84 0.24 -0.96 3.52 0.00 -1.96 -3.08 119.26 117.85 2edr h ALA 72 Ca 0.79 -0.41 0.27 0.00 0.00 0.00 0.00 54.91 55.57 2edr h ALA 72 Cb 3.38 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 21.08 2edr h ALA 72 CO -0.01 0.25 0.68 -0.44 0.00 0.00 0.00 179.25 179.74 2edr h ASP 73 N 0.08 0.05 -3.59 0.00 3.32 0.19 -3.41 116.42 113.05 2edr h ASP 73 Ca 0.01 0.01 -0.56 0.00 0.02 0.00 0.00 57.03 56.50 2edr h ASP 73 Cb 0.88 -0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.57 2edr h ASP 73 CO 0.07 0.02 0.41 0.00 -1.72 0.00 0.00 179.24 178.01 2edr n ALA 74 N -2.70 1.01 0.00 3.45 0.00 -1.17 -4.70 120.51 116.41 2edr n ALA 74 Ca 0.20 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2edr n ALA 74 Cb 1.00 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 18.21 2edr n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2edr n GLY 75 N 0.93 -1.54 3.22 0.00 0.00 -0.21 -4.99 105.19 102.59 2edr n GLY 75 Ca 0.09 0.58 0.04 0.00 0.00 0.00 0.00 46.02 46.73 2edr n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2edr s GLU 76 N 0.00 0.22 0.24 1.61 2.12 -1.26 -3.20 118.70 118.44 2edr s GLU 76 Ca 0.00 0.46 -0.01 0.00 0.36 0.00 0.00 54.97 55.78 2edr s GLU 76 Cb 0.00 0.26 -0.04 0.00 0.26 0.00 0.00 34.13 34.61 2edr s GLU 76 CO 0.00 -0.19 0.44 0.71 -0.54 0.00 0.00 175.26 175.68 2edr s TYR 77 N 2.75 3.48 -0.01 5.30 1.51 -0.93 -2.80 117.35 126.64 2edr s TYR 77 Ca 0.00 0.35 -0.02 0.00 -1.01 0.00 0.00 57.07 56.39 2edr s TYR 77 Cb -0.09 -1.87 -0.00 0.00 -0.11 0.00 0.00 41.96 39.90 2edr s TYR 77 CO -0.14 0.31 0.03 -1.12 -1.11 0.00 0.00 175.55 173.53 2edr s SER 78 N -3.39 0.03 -0.29 2.29 0.01 0.06 -0.08 113.70 112.33 2edr s SER 78 Ca 0.39 -0.08 -0.04 0.00 1.31 0.00 0.00 55.95 57.53 2edr s SER 78 Cb -0.11 0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.26 2edr s SER 78 CO 0.30 -0.11 0.02 0.00 0.41 0.00 0.00 173.24 173.86 2edr s VAL 80 N 1.37 5.37 -0.14 0.00 1.01 -0.35 -2.58 120.40 125.08 2edr s VAL 80 Ca -0.01 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.29 2edr s VAL 80 Cb -0.18 -3.51 -0.14 0.00 0.00 0.00 0.00 36.38 32.55 2edr s VAL 80 CO -0.00 0.39 -0.04 0.00 0.00 0.00 0.00 175.10 175.45 2edr n GLY 82 N 2.42 -2.51 0.08 0.00 0.00 -1.26 -4.74 105.19 99.17 2edr n GLY 82 Ca -0.24 0.81 -0.02 0.00 0.00 0.00 0.00 46.02 46.56 2edr n GLY 82 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2edr n GLU 83 N 0.00 0.66 -4.06 1.61 1.02 -1.26 -4.97 120.64 113.64 2edr n GLU 83 Ca 0.00 0.03 -0.23 0.00 -0.02 0.00 0.00 57.16 56.93 2edr n GLU 83 Cb 0.00 -1.61 -0.06 0.00 -0.02 0.00 0.00 31.44 29.74 2edr n GLU 83 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2edr s GLU 84 N -2.85 2.33 -0.28 3.49 1.03 -1.26 -5.14 118.70 116.02 2edr s GLU 84 Ca -0.07 -1.64 -0.17 0.00 0.03 0.00 0.00 54.97 53.11 2edr s GLU 84 Cb 0.09 -2.13 0.11 0.00 -0.80 0.00 0.00 34.13 31.40 2edr s GLU 84 CO 0.84 0.02 0.86 0.50 -1.33 0.00 0.00 175.26 176.15 2edr s ARG 85 N -3.89 0.55 0.41 -4.83 3.52 -1.26 -3.03 118.95 110.42 2edr s ARG 85 Ca 0.40 0.89 0.08 0.00 -0.13 0.00 0.00 55.73 56.97 2edr s ARG 85 Cb -0.01 0.14 -0.01 0.00 -1.56 0.00 0.00 34.95 33.51 2edr s ARG 85 CO 0.23 -0.11 0.43 -0.08 -0.81 0.00 0.00 175.30 174.97 2edr s THR 86 N 1.29 2.83 0.04 4.11 -1.32 -1.06 -4.91 115.64 116.60 2edr s THR 86 Ca -0.08 -1.24 -0.01 0.00 -1.21 0.00 0.00 61.69 59.16 2edr s THR 86 Cb -0.04 -3.02 -0.03 0.00 -1.51 0.00 0.00 72.50 67.90 2edr s THR 86 CO -0.15 -0.01 -0.01 -0.94 -2.21 0.00 0.00 174.62 171.30 2edr s SER 87 N -4.19 0.34 -0.20 8.08 1.04 -1.26 -1.22 113.70 116.29 2edr s SER 87 Ca 0.50 -0.72 -0.04 0.00 0.48 0.00 0.00 55.95 56.16 2edr s SER 87 Cb -0.05 0.16 0.10 0.00 0.10 0.00 0.00 66.02 66.33 2edr s SER 87 CO 0.29 -0.46 0.34 0.00 0.98 0.00 0.00 173.24 174.40 2edr s ALA 88 N -2.69 -0.88 0.18 5.32 0.00 0.88 -4.60 121.76 119.97 2edr s ALA 88 Ca -0.04 0.96 -0.32 0.00 0.00 0.00 0.00 51.96 52.56 2edr s ALA 88 Cb -0.01 -1.41 -0.11 0.00 0.00 0.00 0.00 23.12 21.58 2edr s ALA 88 CO -0.05 -1.02 1.72 0.99 0.00 0.00 0.00 175.76 177.40 2edr s THR 89 N 2.51 2.21 -0.21 0.00 2.01 -1.26 -2.20 115.64 118.69 2edr s THR 89 Ca 0.06 0.08 -0.02 0.00 0.31 0.00 0.00 61.69 62.13 2edr s THR 89 Cb -0.14 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.32 2edr s THR 89 CO -0.13 0.01 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.49 2edr s LEU 90 N 1.50 2.72 -0.16 4.42 2.96 -1.19 -2.86 118.68 126.07 2edr s LEU 90 Ca 0.75 -0.55 -0.06 0.00 -0.22 0.00 0.00 54.13 54.05 2edr s LEU 90 Cb -0.48 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 2edr s LEU 90 CO 0.33 -0.03 0.05 -0.89 -1.32 0.00 0.00 176.35 174.48 2edr s THR 91 N 1.40 4.70 0.22 3.68 2.01 -1.02 -1.05 115.64 125.57 2edr s THR 91 Ca 0.05 -0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.05 2edr s THR 91 Cb -0.14 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 2edr s THR 91 CO -0.06 0.50 0.06 -0.69 -0.69 0.00 0.00 174.62 173.74 2edr s VAL 92 N 0.03 3.89 0.51 3.82 1.01 -1.26 -0.04 120.40 128.37 2edr s VAL 92 Ca 0.05 -1.53 0.03 0.00 0.00 0.00 0.00 61.98 60.53 2edr s VAL 92 Cb -0.12 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.22 2edr s VAL 92 CO 0.01 -0.25 0.13 -0.54 0.00 0.00 0.00 175.10 174.45 2edr s LYS 93 N -3.40 2.21 -0.46 2.72 -0.14 -0.67 -4.86 119.74 115.14 2edr s LYS 93 Ca 0.30 -2.25 -0.06 0.00 -1.36 0.00 0.00 55.97 52.60 2edr s LYS 93 Cb -0.08 -1.73 0.12 0.00 -1.68 0.00 0.00 37.83 34.46 2edr s LYS 93 CO 0.21 -0.42 0.29 0.00 -0.76 0.00 0.00 175.35 174.67 2edr s ALA 94 N -2.83 3.30 0.37 5.17 0.00 -1.26 -0.40 121.76 126.11 2edr s ALA 94 Ca 0.17 -2.59 -0.26 0.00 0.00 0.00 0.00 51.96 49.28 2edr s ALA 94 Cb 0.01 -2.64 -0.12 0.00 0.00 0.00 0.00 23.12 20.37 2edr s ALA 94 CO 0.10 -1.87 1.07 1.47 0.00 0.00 0.00 175.76 176.52 2edr n LEU 95 N 4.67 2.57 -4.55 0.00 -0.00 -1.26 -4.83 117.00 113.60 2edr n LEU 95 Ca -0.04 1.11 -0.35 0.00 -0.00 0.00 0.00 56.01 56.73 2edr n LEU 95 Cb 0.41 -1.36 -0.04 0.00 -0.00 0.00 0.00 43.42 42.43 2edr n LEU 95 CO 0.38 -1.25 1.52 -2.16 -0.00 0.00 0.00 177.39 175.88 2edr s PRO 96 N -1.86 2.60 0.39 1.47 0.04 -1.26 -4.97 135.00 131.41 2edr s PRO 96 Ca 0.60 0.32 0.02 0.00 0.04 0.00 0.00 61.00 61.99 2edr s PRO 96 Cb -0.60 -4.61 -0.01 0.00 0.04 0.00 0.00 34.50 29.32 2edr s PRO 96 CO 0.59 -2.95 0.57 -1.54 0.04 0.00 0.00 177.00 173.72 2edr s SER 97 N 8.11 5.97 0.00 6.66 1.04 -1.26 -4.89 113.70 129.32 2edr s SER 97 Ca 0.68 0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.27 2edr s SER 97 Cb -0.11 -1.54 0.00 0.00 0.10 0.00 0.00 66.02 64.48 2edr s SER 97 CO 0.14 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.44 2edr n GLY 98 N -1.87 0.89 3.74 7.32 0.00 -1.26 -4.99 105.19 109.02 2edr n GLY 98 Ca -0.01 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 2edr n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edr s PRO 99 N 0.00 1.74 -0.42 1.61 0.04 -1.26 -4.96 135.00 131.75 2edr s PRO 99 Ca 0.00 0.99 -0.29 0.00 0.04 0.00 0.00 61.00 61.74 2edr s PRO 99 Cb 0.00 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.71 2edr s PRO 99 CO 0.00 -1.95 1.21 -1.12 0.04 0.00 0.00 177.00 175.18 2edr s SER 100 N -3.40 6.61 0.30 6.66 0.01 -1.26 -5.01 113.70 117.60 2edr s SER 100 Ca 0.62 0.71 -0.11 0.00 1.31 0.00 0.00 55.95 58.49 2edr s SER 100 Cb -0.18 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.44 2edr s SER 100 CO 0.56 -1.23 0.66 -0.55 0.41 0.00 0.00 173.24 173.09 2edr s SER 101 N 2.74 6.63 0.00 2.44 0.15 -1.26 -5.23 113.70 119.17 2edr s SER 101 Ca 0.52 1.06 0.00 0.00 0.70 0.00 0.00 55.95 58.23 2edr s SER 101 Cb -0.10 -2.28 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2edr s SER 101 CO 0.29 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.14