#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edr n SER 2 N 0.00 2.95 -0.09 1.61 7.64 -1.26 -4.84 113.62 119.63 2edr n SER 2 Ca 0.00 0.34 -0.13 0.00 1.01 0.00 0.00 58.87 60.09 2edr n SER 2 Cb 0.00 -1.45 -0.05 0.00 -1.01 0.00 0.00 64.21 61.70 2edr n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2edr n SER 3 N 10.68 1.88 0.00 6.43 2.88 -1.26 -5.08 113.62 129.15 2edr n SER 3 Ca 0.33 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.32 2edr n SER 3 Cb 0.37 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 2edr n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2edr n GLY 4 N 1.48 5.25 0.00 0.46 0.00 -1.26 -5.07 105.19 106.05 2edr n GLY 4 Ca -0.21 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.44 2edr n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2edr n SER 5 N 0.00 2.55 -3.64 1.61 3.41 -1.26 -5.10 113.62 111.19 2edr n SER 5 Ca 0.00 -0.19 -0.02 0.00 -0.26 0.00 0.00 58.87 58.41 2edr n SER 5 Cb 0.00 0.88 -0.01 0.00 -0.26 0.00 0.00 64.21 64.82 2edr n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2edr s SER 6 N -1.39 -0.13 0.00 4.04 1.04 -1.26 -5.14 113.70 110.86 2edr s SER 6 Ca 0.00 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.26 2edr s SER 6 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2edr s SER 6 CO 0.00 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.36 2edr n GLY 7 N -0.40 -1.66 3.61 7.32 0.00 -1.26 -5.13 105.19 107.67 2edr n GLY 7 Ca -0.06 0.70 -0.30 0.00 0.00 0.00 0.00 46.02 46.36 2edr n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edr s PRO 8 N 0.00 -0.80 -0.05 1.61 0.04 -1.26 -4.90 135.00 129.64 2edr s PRO 8 Ca 0.00 0.09 -0.35 0.00 0.04 0.00 0.00 61.00 60.78 2edr s PRO 8 Cb 0.00 -1.63 -0.13 0.00 0.04 0.00 0.00 34.50 32.78 2edr s PRO 8 CO 0.00 -3.46 1.76 0.00 0.04 0.00 0.00 177.00 175.34 2edr n ALA 9 N -4.61 0.73 -2.63 8.56 0.00 -1.26 -4.93 120.51 116.36 2edr n ALA 9 Ca 0.11 0.35 -0.39 0.00 0.00 0.00 0.00 53.44 53.50 2edr n ALA 9 Cb 0.59 -2.40 -0.08 0.00 0.00 0.00 0.00 19.45 17.56 2edr n ALA 9 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2edr s HIS 10 N 3.06 3.29 -0.99 0.00 -3.43 -1.26 -4.67 115.29 111.30 2edr s HIS 10 Ca 0.90 0.62 -0.27 0.00 -0.80 0.00 0.00 55.06 55.50 2edr s HIS 10 Cb -0.76 -2.66 -0.23 0.00 -1.43 0.00 0.00 32.58 27.50 2edr s HIS 10 CO 0.50 -0.21 2.59 1.19 -2.00 0.00 0.00 174.74 176.81 2edr n PHE 11 N 5.25 0.47 0.04 0.38 3.72 -1.26 -3.20 117.46 122.87 2edr n PHE 11 Ca -0.05 0.32 -0.07 0.00 -0.05 0.00 0.00 57.45 57.60 2edr n PHE 11 Cb 0.50 -2.08 -0.12 0.00 -0.94 0.00 0.00 39.48 36.84 2edr n PHE 11 CO 0.00 0.00 0.00 -0.84 -0.05 0.00 0.00 176.76 175.87 2edr h ILE 12 N 7.75 1.51 -2.21 4.37 3.07 -1.85 -3.38 117.51 126.76 2edr h ILE 12 Ca -0.04 -3.24 -0.60 0.00 1.55 0.00 0.00 64.86 62.53 2edr h ILE 12 Cb 1.27 2.74 -0.42 0.00 -0.27 0.00 0.00 36.82 40.14 2edr h ILE 12 CO 1.40 0.86 -0.61 0.61 -1.05 0.00 0.00 178.15 179.36 2edr n GLY 13 N 1.39 4.72 2.59 0.16 0.00 -1.21 -5.02 105.19 107.83 2edr n GLY 13 Ca -0.04 -2.73 -0.33 0.00 0.00 0.00 0.00 46.02 42.93 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 0.90 0.00 -0.17 1.61 5.12 -1.26 -3.28 116.66 119.59 2edr n ARG 14 Ca 0.29 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 56.10 2edr n ARG 14 Cb 0.41 -0.78 0.11 0.00 -1.16 0.00 0.00 32.46 31.04 2edr n ARG 14 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2edr n LEU 15 N 1.82 0.00 -3.71 0.55 4.77 -1.26 -4.87 117.00 114.30 2edr n LEU 15 Ca 0.09 -0.33 -0.11 0.00 -0.03 0.00 0.00 56.01 55.63 2edr n LEU 15 Cb 0.31 -0.43 -0.12 0.00 -2.33 0.00 0.00 43.42 40.85 2edr n LEU 15 CO 0.43 -2.01 -0.01 0.00 -1.33 0.00 0.00 177.39 174.47 2edr s ARG 16 N -3.32 0.33 -0.08 3.23 3.03 -1.26 -4.91 118.95 115.97 2edr s ARG 16 Ca 0.25 0.69 -0.33 0.00 2.03 0.00 0.00 55.73 58.37 2edr s ARG 16 Cb -0.04 -0.05 -0.11 0.00 -1.03 0.00 0.00 34.95 33.72 2edr s ARG 16 CO 0.21 -0.16 1.94 -2.39 -1.13 0.00 0.00 175.30 173.78 2edr n HIS 17 N 4.21 2.33 -5.05 5.89 1.44 -1.26 -4.83 115.22 117.94 2edr n HIS 17 Ca -0.24 -0.10 -0.32 0.00 -2.01 0.00 0.00 57.72 55.05 2edr n HIS 17 Cb 0.54 -2.70 -0.14 0.00 0.12 0.00 0.00 29.99 27.81 2edr n HIS 17 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 2edr s GLN 18 N 4.41 2.39 -0.53 -1.40 -2.07 -1.19 -4.97 119.66 116.30 2edr s GLN 18 Ca 0.93 -0.79 -0.16 0.00 -1.82 0.00 0.00 55.36 53.52 2edr s GLN 18 Cb -0.61 -2.25 0.12 0.00 -1.09 0.00 0.00 33.01 29.17 2edr s GLN 18 CO 0.48 0.58 0.48 -2.00 -1.32 0.00 0.00 175.29 173.52 2edr s GLU 19 N -0.64 2.98 0.59 9.60 2.12 -1.26 -2.08 118.70 130.01 2edr s GLU 19 Ca 0.10 -1.67 -0.05 0.00 0.36 0.00 0.00 54.97 53.71 2edr s GLU 19 Cb -0.11 -4.27 0.13 0.00 0.26 0.00 0.00 34.13 30.14 2edr s GLU 19 CO 0.00 -1.29 0.81 -1.13 -0.54 0.00 0.00 175.26 173.11 2edr n SER 20 N 5.24 0.59 -4.25 -1.70 3.41 0.15 -4.92 113.62 112.14 2edr n SER 20 Ca -0.14 -1.61 -0.24 0.00 -0.26 0.00 0.00 58.87 56.61 2edr n SER 20 Cb 0.40 -0.57 -0.14 0.00 -0.26 0.00 0.00 64.21 63.65 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 -2.51 1.61 0.33 -1.33 -1.09 -1.26 -1.31 121.20 115.64 2edr s ILE 21 Ca 0.50 -1.26 -0.29 0.00 -2.23 0.00 0.00 60.65 57.37 2edr s ILE 21 Cb -0.02 -1.42 -0.12 0.00 -1.58 0.00 0.00 42.46 39.32 2edr s ILE 21 CO 0.34 0.11 1.43 1.21 -1.23 0.00 0.00 174.94 176.80 2edr n GLU 22 N 1.67 2.40 0.00 2.79 4.07 0.19 -1.77 120.64 129.98 2edr n GLU 22 Ca -0.18 0.84 0.00 0.00 -0.06 0.00 0.00 57.16 57.77 2edr n GLU 22 Cb 0.54 -2.52 0.00 0.00 -0.06 0.00 0.00 31.44 29.39 2edr n GLU 22 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2edr n GLY 23 N 1.13 2.33 3.56 8.31 0.00 -1.16 -4.41 105.19 114.95 2edr n GLY 23 Ca 0.05 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2edr n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2edr s ALA 24 N -0.63 0.49 -0.36 4.61 0.00 -0.73 -3.96 121.76 121.18 2edr s ALA 24 Ca 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 2edr s ALA 24 Cb 0.00 -2.85 0.08 0.00 0.00 0.00 0.00 23.12 20.35 2edr s ALA 24 CO 0.00 -3.77 0.11 0.99 0.00 0.00 0.00 175.76 173.09 2edr s THR 25 N -2.97 3.20 0.76 0.00 2.01 -1.26 -0.71 115.64 116.67 2edr s THR 25 Ca 0.72 -1.69 -0.14 0.00 0.31 0.00 0.00 61.69 60.89 2edr s THR 25 Cb -0.08 -3.01 0.06 0.00 0.01 0.00 0.00 72.50 69.47 2edr s THR 25 CO 0.56 -0.40 1.19 0.00 -0.69 0.00 0.00 174.62 175.28 2edr s ALA 26 N 1.21 2.02 -0.26 7.40 0.00 0.35 -4.78 121.76 127.70 2edr s ALA 26 Ca 0.02 0.81 -0.02 0.00 0.00 0.00 0.00 51.96 52.77 2edr s ALA 26 Cb -0.21 -3.46 0.15 0.00 0.00 0.00 0.00 23.12 19.60 2edr s ALA 26 CO -0.02 -2.02 0.45 0.99 0.00 0.00 0.00 175.76 175.16 2edr s THR 27 N -2.13 -0.73 0.33 0.00 2.01 -1.25 -0.97 115.64 112.90 2edr s THR 27 Ca 0.73 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.66 2edr s THR 27 Cb -0.28 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.31 2edr s THR 27 CO 0.48 -0.10 0.54 -0.76 -0.69 0.00 0.00 174.62 174.09 2edr s LEU 28 N 2.64 4.03 -0.14 4.42 1.43 -0.38 -4.91 118.68 125.78 2edr s LEU 28 Ca 0.15 0.45 -0.09 0.00 -1.03 0.00 0.00 54.13 53.61 2edr s LEU 28 Cb -0.15 -3.31 0.05 0.00 0.03 0.00 0.00 46.19 42.82 2edr s LEU 28 CO -0.19 -0.27 0.35 -0.60 0.23 0.00 0.00 176.35 175.87 2edr s ARG 29 N -4.22 0.34 0.31 1.70 3.52 -1.26 -2.16 118.95 117.17 2edr s ARG 29 Ca 0.40 0.66 0.03 0.00 -0.13 0.00 0.00 55.73 56.69 2edr s ARG 29 Cb -0.10 -0.01 -0.01 0.00 -1.56 0.00 0.00 34.95 33.27 2edr s ARG 29 CO 0.35 -0.14 0.12 0.00 -0.81 0.00 0.00 175.30 174.82 2edr s GLU 31 N -3.17 0.36 0.04 0.00 2.12 -1.20 -3.42 118.70 113.43 2edr s GLU 31 Ca 0.17 -0.57 0.04 0.00 0.36 0.00 0.00 54.97 54.96 2edr s GLU 31 Cb 0.01 -0.07 -0.02 0.00 0.26 0.00 0.00 34.13 34.31 2edr s GLU 31 CO 0.12 -0.00 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.21 2edr s LEU 32 N -1.27 2.18 0.59 2.70 1.43 0.32 -3.08 118.68 121.54 2edr s LEU 32 Ca -0.11 -0.45 0.30 0.00 -1.03 0.00 0.00 54.13 52.84 2edr s LEU 32 Cb -0.09 -0.46 1.34 0.00 0.03 0.00 0.00 46.19 47.01 2edr s LEU 32 CO -0.00 -0.02 1.71 -1.28 0.23 0.00 0.00 176.35 176.98 2edr h SER 33 N 4.92 0.00 -3.44 2.29 0.87 -1.82 -3.41 113.55 112.95 2edr h SER 33 Ca -0.37 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.26 2edr h SER 33 Cb 1.19 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.89 2edr h SER 33 CO 0.44 0.00 0.47 -1.59 -0.53 0.00 0.00 176.83 175.62 2edr s LYS 34 N -4.60 0.53 -0.46 2.24 -2.85 -1.26 -4.98 119.74 108.36 2edr s LYS 34 Ca -0.04 0.48 -0.41 0.00 -1.00 0.00 0.00 55.97 55.00 2edr s LYS 34 Cb 0.16 0.26 -0.18 0.00 -2.06 0.00 0.00 37.83 36.01 2edr s LYS 34 CO 0.56 -0.09 1.90 0.00 0.10 0.00 0.00 175.35 177.81 2edr n ALA 35 N 1.84 -0.05 -3.18 0.59 0.00 -1.26 -4.56 120.51 113.88 2edr n ALA 35 Ca -0.12 0.23 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 2edr n ALA 35 Cb 0.56 -1.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.04 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 5.08 -0.97 0.41 0.00 0.00 -1.26 -4.82 121.76 120.20 2edr s ALA 36 Ca 1.09 0.35 -0.25 0.00 0.00 0.00 0.00 51.96 53.15 2edr s ALA 36 Cb -1.39 0.25 -0.08 0.00 0.00 0.00 0.00 23.12 21.89 2edr s ALA 36 CO 0.64 -0.39 1.19 -1.25 0.00 0.00 0.00 175.76 175.94 2edr s PRO 37 N -2.10 3.99 0.22 0.00 0.04 -1.26 -4.94 135.00 130.96 2edr s PRO 37 Ca -0.08 1.87 0.02 0.00 0.04 0.00 0.00 61.00 62.85 2edr s PRO 37 Cb -0.02 -2.64 -0.01 0.00 0.04 0.00 0.00 34.50 31.87 2edr s PRO 37 CO 0.00 -0.38 0.08 1.33 0.04 0.00 0.00 177.00 178.07 2edr n VAL 38 N -0.01 0.00 -3.29 -0.36 0.24 -1.26 -4.64 118.33 109.02 2edr n VAL 38 Ca 0.05 -1.31 -0.06 0.00 -2.04 0.00 0.00 64.34 60.97 2edr n VAL 38 Cb 0.46 0.48 -0.06 0.00 -1.47 0.00 0.00 33.84 33.25 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 -2.86 0.42 0.48 7.34 2.12 0.65 -4.92 118.70 121.93 2edr s GLU 39 Ca 0.12 0.43 -0.22 0.00 0.36 0.00 0.00 54.97 55.66 2edr s GLU 39 Cb 0.01 -0.21 -0.07 0.00 0.26 0.00 0.00 34.13 34.11 2edr s GLU 39 CO 0.08 -0.83 1.15 -1.58 -0.54 0.00 0.00 175.26 173.53 2edr s TRP 40 N 2.61 2.86 -0.20 5.30 0.52 -1.25 -0.54 118.94 128.23 2edr s TRP 40 Ca 0.12 1.55 -0.04 0.00 0.02 0.00 0.00 56.10 57.75 2edr s TRP 40 Cb -0.14 -3.33 0.08 0.00 -1.15 0.00 0.00 33.47 28.93 2edr s TRP 40 CO -0.23 -1.44 0.14 1.03 0.02 0.00 0.00 176.95 176.46 2edr s ARG 41 N -2.84 0.13 -1.02 4.98 0.52 0.12 0.35 118.95 121.19 2edr s ARG 41 Ca 0.65 -0.09 -0.21 0.00 -0.52 0.00 0.00 55.73 55.56 2edr s ARG 41 Cb -0.27 -1.51 0.08 0.00 0.52 0.00 0.00 34.95 33.77 2edr s ARG 41 CO 0.32 -0.74 1.37 0.21 0.02 0.00 0.00 175.30 176.48 2edr s LYS 42 N 2.19 3.64 -0.17 3.54 2.20 -1.11 -1.70 119.74 128.34 2edr s LYS 42 Ca 0.05 -1.45 -0.12 0.00 -0.36 0.00 0.00 55.97 54.10 2edr s LYS 42 Cb -0.16 -5.23 0.04 0.00 -1.51 0.00 0.00 37.83 30.98 2edr s LYS 42 CO -0.16 -2.06 0.23 0.41 -0.36 0.00 0.00 175.35 173.41 2edr n GLY 43 N 6.23 -4.97 2.18 5.54 0.00 -0.85 -3.38 105.19 109.94 2edr n GLY 43 Ca 0.32 1.67 -0.02 0.00 0.00 0.00 0.00 46.02 47.99 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 1.80 -2.49 -4.33 1.61 1.85 -1.26 -4.83 116.66 109.01 2edr n ARG 44 Ca -0.39 0.01 -0.17 0.00 -1.00 0.00 0.00 57.85 56.29 2edr n ARG 44 Cb 0.60 -3.58 -0.10 0.00 -1.05 0.00 0.00 32.46 28.34 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 -4.07 1.28 -0.18 2.89 2.12 -1.22 -5.14 118.70 114.38 2edr s GLU 45 Ca 0.03 -1.58 -0.06 0.00 0.36 0.00 0.00 54.97 53.73 2edr s GLU 45 Cb -0.02 -0.95 -0.03 0.00 0.26 0.00 0.00 34.13 33.39 2edr s GLU 45 CO 0.04 0.12 0.02 0.45 -0.54 0.00 0.00 175.26 175.35 2edr s SER 46 N -3.29 5.16 -0.12 -1.70 0.15 -1.26 -2.76 113.70 109.88 2edr s SER 46 Ca 0.22 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2edr s SER 46 Cb 0.01 -1.87 -0.02 0.00 -1.71 0.00 0.00 66.02 62.43 2edr s SER 46 CO 0.06 0.14 -0.12 -0.76 1.20 0.00 0.00 173.24 173.76 2edr s LEU 47 N 0.54 2.81 0.03 3.45 1.02 0.16 -4.84 118.68 121.85 2edr s LEU 47 Ca 0.00 -0.27 -0.05 0.00 0.02 0.00 0.00 54.13 53.83 2edr s LEU 47 Cb -0.14 -1.63 -0.01 0.00 0.02 0.00 0.00 46.19 44.44 2edr s LEU 47 CO 0.02 0.21 0.09 -0.13 0.02 0.00 0.00 176.35 176.55 2edr s ARG 48 N 0.12 0.53 -0.15 1.70 0.52 -1.26 -3.82 118.95 116.58 2edr s ARG 48 Ca -0.05 -0.67 -0.33 0.00 -0.52 0.00 0.00 55.73 54.16 2edr s ARG 48 Cb -0.15 0.21 -0.10 0.00 0.52 0.00 0.00 34.95 35.43 2edr s ARG 48 CO 0.04 -0.13 2.01 -0.40 0.02 0.00 0.00 175.30 176.84 2edr n ASP 49 N 1.01 3.25 0.00 0.23 5.75 -1.26 -4.76 116.55 120.77 2edr n ASP 49 Ca -0.20 0.73 0.00 0.00 -0.01 0.00 0.00 54.79 55.31 2edr n ASP 49 Cb 0.57 -1.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.27 2edr n ASP 49 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2edr n GLY 50 N 5.03 2.09 0.14 6.12 0.00 -1.05 -5.01 105.19 112.50 2edr n GLY 50 Ca 0.27 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 2edr n GLY 50 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2edr n ASP 51 N 0.00 1.96 -0.08 1.61 2.03 -1.26 -4.78 116.55 116.03 2edr n ASP 51 Ca 0.00 0.23 -0.11 0.00 0.52 0.00 0.00 54.79 55.42 2edr n ASP 51 Cb 0.00 -0.73 -0.08 0.00 -0.72 0.00 0.00 41.12 39.59 2edr n ASP 51 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2edr n ARG 52 N -4.00 0.53 -1.68 -0.67 -4.01 -1.26 -4.93 116.66 100.64 2edr n ARG 52 Ca -0.51 0.09 -0.42 0.00 -1.04 0.00 0.00 57.85 55.97 2edr n ARG 52 Cb 0.90 -1.34 -0.03 0.00 -3.04 0.00 0.00 32.46 28.96 2edr n ARG 52 CO 0.00 0.00 0.00 -1.58 -3.04 0.00 0.00 177.63 173.01 2edr s HIS 53 N -2.34 1.27 -0.27 2.89 2.46 -1.26 -4.39 115.29 113.67 2edr s HIS 53 Ca -0.22 0.67 -0.09 0.00 0.47 0.00 0.00 55.06 55.89 2edr s HIS 53 Cb 0.06 -3.93 -0.03 0.00 -0.13 0.00 0.00 32.58 28.55 2edr s HIS 53 CO 0.40 -3.70 0.11 0.45 -2.47 0.00 0.00 174.74 169.54 2edr s SER 54 N 8.32 5.43 -0.72 9.88 0.15 -0.43 -2.52 113.70 133.81 2edr s SER 54 Ca 0.96 -0.20 0.02 0.00 0.70 0.00 0.00 55.95 57.44 2edr s SER 54 Cb -0.29 -1.99 0.18 0.00 -1.71 0.00 0.00 66.02 62.21 2edr s SER 54 CO 0.34 -0.06 0.53 -0.76 1.20 0.00 0.00 173.24 174.49 2edr s LEU 55 N 1.65 4.99 -0.09 3.45 2.01 -1.26 -0.61 118.68 128.82 2edr s LEU 55 Ca 0.06 -3.59 -0.03 0.00 0.01 0.00 0.00 54.13 50.59 2edr s LEU 55 Cb -0.16 -1.74 -0.03 0.00 0.01 0.00 0.00 46.19 44.27 2edr s LEU 55 CO 0.06 -0.16 0.02 0.00 1.01 0.00 0.00 176.35 177.28 2edr s ARG 56 N -1.11 3.07 0.39 1.70 1.70 -0.98 -4.93 118.95 118.80 2edr s ARG 56 Ca 0.23 -0.36 0.06 0.00 -0.47 0.00 0.00 55.73 55.19 2edr s ARG 56 Cb -0.10 -2.86 -0.07 0.00 -0.57 0.00 0.00 34.95 31.35 2edr s ARG 56 CO -0.12 0.71 0.03 -0.65 -1.08 0.00 0.00 175.30 174.19 2edr s GLN 57 N -0.88 1.89 -0.30 3.89 -0.21 -1.26 -0.75 119.66 122.04 2edr s GLN 57 Ca 0.13 -2.08 -0.13 0.00 0.02 0.00 0.00 55.36 53.30 2edr s GLN 57 Cb -0.11 -1.39 0.18 0.00 1.00 0.00 0.00 33.01 32.69 2edr s GLN 57 CO 0.03 -0.13 1.08 0.34 -2.12 0.00 0.00 175.29 174.49 2edr s ASP 58 N -3.66 -0.37 -0.97 5.90 -1.08 0.04 -4.94 116.67 111.59 2edr s ASP 58 Ca 0.33 0.13 -0.07 0.00 -0.52 0.00 0.00 52.55 52.42 2edr s ASP 58 Cb 0.09 1.27 -0.03 0.00 -1.46 0.00 0.00 42.92 42.79 2edr s ASP 58 CO 0.16 -0.07 0.82 0.61 0.52 0.00 0.00 175.17 177.21 2edr n GLY 59 N 5.29 -1.16 2.50 2.66 0.00 -1.26 -2.32 105.19 110.90 2edr n GLY 59 Ca 0.01 0.53 -0.19 0.00 0.00 0.00 0.00 46.02 46.37 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 -3.01 -0.71 -3.76 4.61 0.00 -1.26 -4.66 120.51 111.72 2edr n ALA 60 Ca -0.07 0.16 -0.30 0.00 0.00 0.00 0.00 53.44 53.23 2edr n ALA 60 Cb 0.58 -2.22 -0.15 0.00 0.00 0.00 0.00 19.45 17.67 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 -2.95 1.09 0.40 0.00 1.01 -0.98 0.12 120.40 119.09 2edr s VAL 61 Ca 0.04 -1.66 -0.05 0.00 0.00 0.00 0.00 61.98 60.32 2edr s VAL 61 Cb -0.02 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 2edr s VAL 61 CO 0.05 -0.70 0.69 0.00 0.00 0.00 0.00 175.10 175.14 2edr s GLU 63 N -4.30 0.41 -0.28 0.00 2.02 0.07 -1.78 118.70 114.84 2edr s GLU 63 Ca 0.46 0.85 -0.07 0.00 0.02 0.00 0.00 54.97 56.22 2edr s GLU 63 Cb -0.10 0.03 -0.01 0.00 0.10 0.00 0.00 34.13 34.15 2edr s GLU 63 CO 0.38 -0.17 0.09 -1.17 0.02 0.00 0.00 175.26 174.41 2edr s LEU 64 N 1.55 3.72 -0.28 1.80 2.96 -0.92 -2.32 118.68 125.19 2edr s LEU 64 Ca -0.09 -0.48 -0.10 0.00 -0.22 0.00 0.00 54.13 53.24 2edr s LEU 64 Cb -0.09 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 2edr s LEU 64 CO -0.13 -0.13 0.16 -1.58 -1.32 0.00 0.00 176.35 173.34 2edr s GLN 65 N 1.56 3.78 -0.28 1.98 0.74 0.22 -1.25 119.66 126.41 2edr s GLN 65 Ca 0.04 -0.42 0.02 0.00 0.05 0.00 0.00 55.36 55.05 2edr s GLN 65 Cb -0.16 -3.57 0.06 0.00 1.10 0.00 0.00 33.01 30.44 2edr s GLN 65 CO 0.03 -0.22 -0.07 0.42 -0.55 0.00 0.00 175.29 174.90 2edr s ILE 66 N 1.70 2.36 0.65 -2.34 1.01 -0.14 -1.32 121.20 123.13 2edr s ILE 66 Ca 0.07 -1.67 -0.08 0.00 0.00 0.00 0.00 60.65 58.97 2edr s ILE 66 Cb -0.16 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 39.91 2edr s ILE 66 CO 0.09 -0.12 0.99 0.00 0.00 0.00 0.00 174.94 175.90 2edr n GLY 68 N -2.80 -0.82 3.34 0.00 0.00 -1.23 -4.91 105.19 98.76 2edr n GLY 68 Ca 0.06 0.39 -0.31 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.16 -2.13 -3.61 0.99 4.77 0.11 -4.79 117.00 108.19 2edr n LEU 69 Ca -0.14 -0.15 -0.03 0.00 -0.03 0.00 0.00 56.01 55.66 2edr n LEU 69 Cb 0.62 -1.05 -0.06 0.00 -2.33 0.00 0.00 43.42 40.60 2edr n LEU 69 CO 0.68 -3.18 0.47 0.00 -1.33 0.00 0.00 177.39 174.04 2edr s ALA 70 N -2.29 -2.17 0.60 -1.18 0.00 -1.26 -2.98 121.76 112.49 2edr s ALA 70 Ca 0.60 2.28 0.28 0.00 0.00 0.00 0.00 51.96 55.12 2edr s ALA 70 Cb -0.16 -1.69 0.94 0.00 0.00 0.00 0.00 23.12 22.22 2edr s ALA 70 CO 0.66 -0.57 1.30 0.28 0.00 0.00 0.00 175.76 177.43 2edr n VAL 71 N 4.46 0.00 0.10 0.00 0.31 -1.26 0.23 118.33 122.16 2edr n VAL 71 Ca -0.16 1.26 -0.23 0.00 -0.01 0.00 0.00 64.34 65.20 2edr n VAL 71 Cb 0.56 -2.25 -0.14 0.00 -0.91 0.00 0.00 33.84 31.10 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 0.54 -0.05 -0.91 3.52 0.00 -1.95 -3.25 119.26 117.16 2edr h ALA 72 Ca 0.51 -0.77 0.25 0.00 0.00 0.00 0.00 54.91 54.90 2edr h ALA 72 Cb 2.96 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 20.83 2edr h ALA 72 CO -0.01 0.64 0.64 -0.44 0.00 0.00 0.00 179.25 180.08 2edr h ASP 73 N 0.17 0.11 -2.77 0.00 3.32 0.25 -3.42 116.42 114.08 2edr h ASP 73 Ca -0.19 0.01 -0.59 0.00 0.02 0.00 0.00 57.03 56.28 2edr h ASP 73 Cb 1.92 -0.01 0.13 0.00 0.22 0.00 0.00 39.33 41.59 2edr h ASP 73 CO 0.23 0.04 0.06 0.00 -1.72 0.00 0.00 179.24 177.85 2edr n ALA 74 N -2.66 -0.22 0.00 3.45 0.00 -1.18 -4.76 120.51 115.13 2edr n ALA 74 Ca 0.19 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2edr n ALA 74 Cb 0.91 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 1.30 -1.43 3.23 0.00 0.00 -1.02 -5.00 105.19 102.26 2edr n GLY 75 Ca 0.10 0.71 0.03 0.00 0.00 0.00 0.00 46.02 46.86 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 0.50 -0.17 1.61 2.12 -1.26 -3.11 118.70 118.38 2edr s GLU 76 Ca 0.00 0.95 -0.09 0.00 0.36 0.00 0.00 54.97 56.19 2edr s GLU 76 Cb 0.00 0.54 -0.05 0.00 0.26 0.00 0.00 34.13 34.88 2edr s GLU 76 CO 0.00 -0.47 0.13 0.71 -0.54 0.00 0.00 175.26 175.09 2edr s TYR 77 N 2.86 3.47 0.10 5.30 1.51 -1.20 -2.00 117.35 127.38 2edr s TYR 77 Ca 0.13 0.39 0.10 0.00 -1.01 0.00 0.00 57.07 56.67 2edr s TYR 77 Cb -0.13 -2.08 -0.04 0.00 -0.11 0.00 0.00 41.96 39.60 2edr s TYR 77 CO -0.19 0.43 -0.25 -1.12 -1.11 0.00 0.00 175.55 173.31 2edr s SER 78 N -0.10 3.09 -0.28 2.29 0.01 -0.69 -0.81 113.70 117.22 2edr s SER 78 Ca 0.10 -0.68 -0.03 0.00 1.31 0.00 0.00 55.95 56.65 2edr s SER 78 Cb -0.11 -0.22 0.03 0.00 0.21 0.00 0.00 66.02 65.92 2edr s SER 78 CO 0.00 0.18 0.00 0.00 0.41 0.00 0.00 173.24 173.83 2edr s VAL 80 N 1.35 5.05 -0.10 0.00 1.01 0.30 -2.50 120.40 125.51 2edr s VAL 80 Ca -0.01 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.07 2edr s VAL 80 Cb -0.18 -3.35 -0.08 0.00 0.00 0.00 0.00 36.38 32.77 2edr s VAL 80 CO -0.01 0.35 -0.04 0.00 0.00 0.00 0.00 175.10 175.39 2edr n GLY 82 N 2.80 -1.94 0.09 0.00 0.00 -1.26 -4.80 105.19 100.08 2edr n GLY 82 Ca -0.16 0.74 -0.10 0.00 0.00 0.00 0.00 46.02 46.50 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 0.65 -3.07 1.61 1.02 -1.26 -4.95 120.64 114.63 2edr n GLU 83 Ca 0.00 0.25 -0.18 0.00 -0.02 0.00 0.00 57.16 57.21 2edr n GLU 83 Cb 0.00 -1.75 0.02 0.00 -0.02 0.00 0.00 31.44 29.70 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 -2.58 2.63 -0.29 3.49 4.04 -1.26 -5.12 118.70 119.61 2edr s GLU 84 Ca -0.07 -1.41 -0.16 0.00 0.04 0.00 0.00 54.97 53.37 2edr s GLU 84 Cb 0.08 -2.68 0.15 0.00 0.02 0.00 0.00 34.13 31.70 2edr s GLU 84 CO 0.82 -0.46 1.02 0.50 -1.84 0.00 0.00 175.26 175.30 2edr s ARG 85 N -4.44 0.33 0.43 -4.83 3.52 -1.26 -3.62 118.95 109.08 2edr s ARG 85 Ca 0.56 0.56 0.08 0.00 -0.13 0.00 0.00 55.73 56.80 2edr s ARG 85 Cb -0.08 0.07 -0.02 0.00 -1.56 0.00 0.00 34.95 33.36 2edr s ARG 85 CO 0.34 -0.07 0.37 -0.08 -0.81 0.00 0.00 175.30 175.05 2edr s THR 86 N 1.25 2.55 -0.00 4.11 -1.32 -1.04 -4.91 115.64 116.28 2edr s THR 86 Ca -0.08 -1.38 -0.14 0.00 -1.21 0.00 0.00 61.69 58.87 2edr s THR 86 Cb -0.03 -2.93 0.02 0.00 -1.51 0.00 0.00 72.50 68.04 2edr s THR 86 CO -0.14 0.00 0.29 -0.94 -2.21 0.00 0.00 174.62 171.62 2edr s SER 87 N -4.13 -0.16 -0.22 8.08 1.04 -1.26 -0.66 113.70 116.40 2edr s SER 87 Ca 0.47 0.02 -0.03 0.00 0.48 0.00 0.00 55.95 56.88 2edr s SER 87 Cb -0.02 0.31 0.10 0.00 0.10 0.00 0.00 66.02 66.50 2edr s SER 87 CO 0.27 -0.46 0.22 0.00 0.98 0.00 0.00 173.24 174.25 2edr s ALA 88 N -1.50 -0.21 0.01 5.32 0.00 0.01 -4.62 121.76 120.77 2edr s ALA 88 Ca -0.13 0.05 -0.34 0.00 0.00 0.00 0.00 51.96 51.54 2edr s ALA 88 Cb -0.05 -1.39 -0.13 0.00 0.00 0.00 0.00 23.12 21.55 2edr s ALA 88 CO 0.03 -1.32 1.73 2.41 0.00 0.00 0.00 175.76 178.61 2edr n THR 89 N 5.31 0.32 -3.59 0.00 -1.04 -1.26 -3.26 114.28 110.76 2edr n THR 89 Ca -0.05 -0.06 -0.38 0.00 -2.04 0.00 0.00 64.05 61.53 2edr n THR 89 Cb 0.48 -1.66 -0.10 0.00 -1.82 0.00 0.00 70.33 67.23 2edr n THR 89 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2edr s LEU 90 N 2.65 4.06 -0.24 -4.42 2.96 -1.18 -3.18 118.68 119.33 2edr s LEU 90 Ca 0.87 0.08 -0.06 0.00 -0.22 0.00 0.00 54.13 54.81 2edr s LEU 90 Cb -0.72 -2.16 -0.02 0.00 0.50 0.00 0.00 46.19 43.80 2edr s LEU 90 CO 0.47 -0.02 0.01 -0.89 -1.32 0.00 0.00 176.35 174.60 2edr s THR 91 N 1.53 3.82 -0.14 3.68 2.01 -0.88 -2.43 115.64 123.22 2edr s THR 91 Ca 0.08 -0.37 -0.07 0.00 0.31 0.00 0.00 61.69 61.65 2edr s THR 91 Cb -0.15 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 2edr s THR 91 CO 0.09 0.36 0.10 -0.69 -0.69 0.00 0.00 174.62 173.79 2edr s VAL 92 N 1.54 5.15 0.40 3.82 1.01 -1.26 0.32 120.40 131.38 2edr s VAL 92 Ca 0.06 0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.20 2edr s VAL 92 Cb -0.15 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 2edr s VAL 92 CO 0.00 0.55 0.29 -0.54 0.00 0.00 0.00 175.10 175.40 2edr s LYS 93 N -0.43 2.45 -0.37 2.72 -0.14 -0.42 -4.83 119.74 118.71 2edr s LYS 93 Ca 0.11 -1.60 -0.16 0.00 -1.36 0.00 0.00 55.97 52.96 2edr s LYS 93 Cb -0.12 -2.26 -0.00 0.00 -1.68 0.00 0.00 37.83 33.78 2edr s LYS 93 CO 0.02 -0.12 0.37 0.00 -0.76 0.00 0.00 175.35 174.85 2edr s ALA 94 N -2.49 3.48 0.49 5.17 0.00 -1.26 0.52 121.76 127.66 2edr s ALA 94 Ca 0.45 -1.35 -0.24 0.00 0.00 0.00 0.00 51.96 50.81 2edr s ALA 94 Cb -0.01 -2.88 -0.07 0.00 0.00 0.00 0.00 23.12 20.16 2edr s ALA 94 CO 0.26 -1.24 1.41 -0.48 0.00 0.00 0.00 175.76 175.71 2edr s LEU 95 N 1.99 4.02 -1.11 0.00 0.05 -1.26 -4.85 118.68 117.52 2edr s LEU 95 Ca 0.11 2.88 -0.23 0.00 0.05 0.00 0.00 54.13 56.93 2edr s LEU 95 Cb -0.17 -4.05 -0.08 0.00 -2.05 0.00 0.00 46.19 39.84 2edr s LEU 95 CO 0.12 -1.33 1.94 -2.16 -0.55 0.00 0.00 176.35 174.37 2edr s PRO 96 N -2.62 2.51 -0.47 1.48 0.04 -1.26 -4.92 135.00 129.77 2edr s PRO 96 Ca 0.65 -0.93 -0.29 0.00 0.04 0.00 0.00 61.00 60.47 2edr s PRO 96 Cb -0.43 -5.20 0.02 0.00 0.04 0.00 0.00 34.50 28.94 2edr s PRO 96 CO 0.54 -3.82 1.29 0.45 0.04 0.00 0.00 177.00 175.49 2edr s SER 97 N 6.91 6.44 0.09 6.66 0.15 -1.26 -4.90 113.70 127.78 2edr s SER 97 Ca 0.69 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.91 2edr s SER 97 Cb -0.02 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2edr s SER 97 CO 0.09 -1.39 0.00 0.61 1.20 0.00 0.00 173.24 173.75 2edr n GLY 98 N 5.01 0.87 3.55 9.45 0.00 -1.26 -3.95 105.19 118.85 2edr n GLY 98 Ca 0.14 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 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 2.62 -0.03 1.61 0.04 -1.26 -4.95 135.00 133.03 2edr s PRO 99 Ca 0.00 0.60 0.01 0.00 0.04 0.00 0.00 61.00 61.64 2edr s PRO 99 Cb 0.00 -4.41 0.02 0.00 0.04 0.00 0.00 34.50 30.16 2edr s PRO 99 CO 0.00 -2.76 -0.02 0.45 0.04 0.00 0.00 177.00 174.72 2edr s SER 100 N 8.15 0.56 -0.41 6.66 0.15 -1.25 -5.11 113.70 122.44 2edr s SER 100 Ca 0.67 -0.06 -0.29 0.00 0.70 0.00 0.00 55.95 56.98 2edr s SER 100 Cb -0.13 -0.27 0.02 0.00 -1.71 0.00 0.00 66.02 63.93 2edr s SER 100 CO 0.20 -0.07 1.27 -0.44 1.20 0.00 0.00 173.24 175.39 2edr s SER 101 N 0.88 6.55 0.00 5.45 0.01 -1.26 -5.02 113.70 120.31 2edr s SER 101 Ca -0.10 0.78 0.00 0.00 1.31 0.00 0.00 55.95 57.94 2edr s SER 101 Cb -0.13 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2edr s SER 101 CO -0.01 -1.26 0.47 0.61 0.41 0.00 0.00 173.24 173.46