#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edr h SER 2 N 0.00 0.32 -2.42 1.61 0.87 -2.12 -3.46 113.55 108.35 2edr h SER 2 Ca 0.00 -0.93 -0.60 0.00 -1.23 0.00 0.00 61.79 59.03 2edr h SER 2 Cb 0.00 -0.10 0.17 0.00 -0.44 0.00 0.00 62.40 62.02 2edr h SER 2 CO 0.00 1.33 -0.66 -0.24 -0.53 0.00 0.00 176.83 176.73 2edr n SER 3 N -4.23 -1.92 -0.39 6.23 2.88 -1.26 -5.00 113.62 109.94 2edr n SER 3 Ca -0.15 0.76 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 2edr n SER 3 Cb 0.74 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 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 2.04 6.23 2.40 0.46 0.00 -1.26 -5.08 105.19 109.98 2edr n GLY 4 Ca 0.11 -1.85 -0.15 0.00 0.00 0.00 0.00 46.02 44.12 2edr n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2edr n SER 5 N -0.41 3.49 -4.55 1.61 7.64 -1.26 -5.06 113.62 115.08 2edr n SER 5 Ca 0.00 -3.08 -0.33 0.00 1.01 0.00 0.00 58.87 56.47 2edr n SER 5 Cb 0.00 -0.42 -0.12 0.00 -1.01 0.00 0.00 64.21 62.67 2edr n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2edr s SER 6 N -3.63 4.42 0.00 6.43 1.04 -1.26 -5.06 113.70 115.65 2edr s SER 6 Ca 0.41 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.72 2edr s SER 6 Cb 0.38 -1.03 0.00 0.00 0.10 0.00 0.00 66.02 65.47 2edr s SER 6 CO -0.01 0.34 0.00 0.61 0.98 0.00 0.00 173.24 175.15 2edr n GLY 7 N 2.07 2.77 3.08 7.32 0.00 -1.26 -5.16 105.19 114.02 2edr n GLY 7 Ca -0.17 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 2edr n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2edr n PRO 8 N 0.00 -2.90 -2.12 1.61 -0.04 -1.26 -4.93 135.00 125.36 2edr n PRO 8 Ca 0.00 -1.54 -0.43 0.00 -0.04 0.00 0.00 63.50 61.50 2edr n PRO 8 Cb 0.00 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.99 2edr n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2edr s ALA 9 N -3.01 3.42 0.34 0.55 0.00 -1.26 -4.98 121.76 116.82 2edr s ALA 9 Ca 0.62 0.61 -0.27 0.00 0.00 0.00 0.00 51.96 52.92 2edr s ALA 9 Cb -0.06 -3.79 -0.09 0.00 0.00 0.00 0.00 23.12 19.18 2edr s ALA 9 CO 0.48 -1.68 1.12 -3.38 0.00 0.00 0.00 175.76 172.29 2edr s HIS 10 N 4.64 3.36 -0.43 0.00 -3.43 -1.26 -4.45 115.29 113.71 2edr s HIS 10 Ca 0.70 1.64 -0.28 0.00 -0.80 0.00 0.00 55.06 56.31 2edr s HIS 10 Cb -0.27 -3.30 -0.00 0.00 -1.43 0.00 0.00 32.58 27.57 2edr s HIS 10 CO 0.27 -0.83 1.62 -0.06 -2.00 0.00 0.00 174.74 173.74 2edr s PHE 11 N -1.33 2.06 -0.10 0.38 0.08 -1.26 -0.18 117.98 117.63 2edr s PHE 11 Ca 0.51 0.64 0.13 0.00 0.12 0.00 0.00 56.93 58.32 2edr s PHE 11 Cb -0.30 -4.23 -0.24 0.00 -0.57 0.00 0.00 43.02 37.69 2edr s PHE 11 CO 0.38 -2.39 0.45 0.44 -0.10 0.00 0.00 175.22 174.01 2edr n ILE 12 N 7.19 1.55 -3.01 0.64 -5.35 -1.23 -4.52 119.36 114.63 2edr n ILE 12 Ca 0.19 -0.80 -0.26 0.00 -0.27 0.00 0.00 62.75 61.60 2edr n ILE 12 Cb 0.48 -0.92 -0.04 0.00 -1.74 0.00 0.00 39.64 37.42 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 1.66 5.35 2.40 3.28 0.00 -1.24 -5.02 105.19 111.61 2edr n GLY 13 Ca -0.23 -2.69 -0.29 0.00 0.00 0.00 0.00 46.02 42.81 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 -0.07 0.00 -0.18 1.61 1.74 -1.26 -3.54 116.66 114.96 2edr n ARG 14 Ca 0.30 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.28 2edr n ARG 14 Cb 0.42 -0.75 0.10 0.00 -1.02 0.00 0.00 32.46 31.21 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 2.03 0.00 -3.60 0.55 4.77 -1.26 -4.89 117.00 114.60 2edr n LEU 15 Ca 0.04 -0.31 -0.04 0.00 -0.03 0.00 0.00 56.01 55.68 2edr n LEU 15 Cb 0.37 -0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 2edr n LEU 15 CO 0.40 -1.97 0.16 0.00 -1.33 0.00 0.00 177.39 174.65 2edr s ARG 16 N -3.16 0.48 -0.26 3.23 1.70 -1.26 -4.90 118.95 114.79 2edr s ARG 16 Ca 0.23 1.24 -0.39 0.00 -0.47 0.00 0.00 55.73 56.35 2edr s ARG 16 Cb -0.04 0.61 -0.18 0.00 -0.57 0.00 0.00 34.95 34.77 2edr s ARG 16 CO 0.20 -0.27 1.21 -2.39 -1.08 0.00 0.00 175.30 172.97 2edr n HIS 17 N 5.42 1.14 -4.91 5.89 -0.00 -1.26 -4.86 115.22 116.64 2edr n HIS 17 Ca -0.10 0.98 -0.28 0.00 -0.00 0.00 0.00 57.72 58.32 2edr n HIS 17 Cb 0.49 -1.90 -0.17 0.00 -0.00 0.00 0.00 29.99 28.41 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 1.54 2.40 -0.43 -1.40 -2.07 -1.14 -4.95 119.66 113.62 2edr s GLN 18 Ca 0.87 -0.66 -0.22 0.00 -1.82 0.00 0.00 55.36 53.53 2edr s GLN 18 Cb -1.23 -1.88 0.02 0.00 -1.09 0.00 0.00 33.01 28.83 2edr s GLN 18 CO 0.63 0.10 0.72 -2.00 -1.32 0.00 0.00 175.29 173.42 2edr s GLU 19 N 0.50 3.43 0.49 9.60 2.12 -1.26 -2.30 118.70 131.29 2edr s GLU 19 Ca -0.17 -0.13 0.07 0.00 0.36 0.00 0.00 54.97 55.11 2edr s GLU 19 Cb -0.17 -3.91 0.02 0.00 0.26 0.00 0.00 34.13 30.33 2edr s GLU 19 CO 0.06 -1.01 0.49 -1.54 -0.54 0.00 0.00 175.26 172.73 2edr s SER 20 N 2.02 4.98 -0.01 -1.70 1.04 0.21 -4.96 113.70 115.27 2edr s SER 20 Ca 0.27 -0.90 0.04 0.00 0.48 0.00 0.00 55.95 55.84 2edr s SER 20 Cb -0.13 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 2edr s SER 20 CO 0.20 -0.96 -0.11 -0.63 0.98 0.00 0.00 173.24 172.72 2edr s ILE 21 N -2.60 3.31 0.40 -1.02 -1.09 -1.26 0.04 121.20 118.98 2edr s ILE 21 Ca 0.47 -0.80 -0.26 0.00 -2.23 0.00 0.00 60.65 57.83 2edr s ILE 21 Cb -0.04 -2.38 -0.10 0.00 -1.58 0.00 0.00 42.46 38.36 2edr s ILE 21 CO 0.29 0.47 1.31 1.21 -1.23 0.00 0.00 174.94 176.99 2edr n GLU 22 N 1.86 2.09 0.00 2.79 2.13 0.26 -1.53 120.64 128.24 2edr n GLU 22 Ca -0.16 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.39 2edr n GLU 22 Cb 0.52 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.81 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 0.74 2.89 3.78 8.31 0.00 -0.94 -4.30 105.19 115.66 2edr n GLY 23 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.10 -2.28 -3.44 4.61 0.00 -0.58 -4.18 120.51 114.54 2edr n ALA 24 Ca 0.00 -1.72 -0.38 0.00 0.00 0.00 0.00 53.44 51.35 2edr n ALA 24 Cb 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 19.45 19.23 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 -3.60 3.65 0.51 0.00 2.01 -1.26 -1.49 115.64 115.46 2edr s THR 25 Ca 0.75 -1.45 -0.22 0.00 0.31 0.00 0.00 61.69 61.08 2edr s THR 25 Cb -0.04 -3.21 -0.06 0.00 0.01 0.00 0.00 72.50 69.20 2edr s THR 25 CO 0.54 -0.37 1.22 0.00 -0.69 0.00 0.00 174.62 175.32 2edr s ALA 26 N 1.32 2.85 -0.24 7.40 0.00 -0.55 -4.84 121.76 127.70 2edr s ALA 26 Ca 0.01 1.04 -0.03 0.00 0.00 0.00 0.00 51.96 52.98 2edr s ALA 26 Cb -0.21 -3.44 0.11 0.00 0.00 0.00 0.00 23.12 19.58 2edr s ALA 26 CO 0.00 -0.92 0.23 0.99 0.00 0.00 0.00 175.76 176.06 2edr s THR 27 N -1.51 -0.31 0.35 0.00 2.01 -1.25 -1.32 115.64 113.61 2edr s THR 27 Ca 0.68 -0.34 0.01 0.00 0.31 0.00 0.00 61.69 62.35 2edr s THR 27 Cb -0.31 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 2edr s THR 27 CO 0.37 -0.37 0.55 -0.76 -0.69 0.00 0.00 174.62 173.72 2edr s LEU 28 N 2.30 3.99 -0.14 4.42 1.43 0.65 -4.91 118.68 126.42 2edr s LEU 28 Ca 0.08 0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 53.46 2edr s LEU 28 Cb -0.15 -3.30 0.04 0.00 0.03 0.00 0.00 46.19 42.81 2edr s LEU 28 CO -0.23 -0.32 0.41 -0.60 0.23 0.00 0.00 176.35 175.84 2edr s ARG 29 N -4.33 0.52 0.35 1.70 3.52 -1.26 -1.72 118.95 117.73 2edr s ARG 29 Ca 0.40 0.48 0.02 0.00 -0.13 0.00 0.00 55.73 56.50 2edr s ARG 29 Cb -0.10 0.25 -0.01 0.00 -1.56 0.00 0.00 34.95 33.54 2edr s ARG 29 CO 0.36 -0.08 0.41 0.00 -0.81 0.00 0.00 175.30 175.19 2edr s GLU 31 N -3.01 0.65 0.08 0.00 2.12 -1.23 -3.06 118.70 114.25 2edr s GLU 31 Ca 0.33 -0.82 0.06 0.00 0.36 0.00 0.00 54.97 54.91 2edr s GLU 31 Cb 0.00 -0.53 -0.03 0.00 0.26 0.00 0.00 34.13 33.83 2edr s GLU 31 CO 0.24 0.11 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.40 2edr s LEU 32 N -1.58 2.29 0.61 2.70 1.43 -1.13 -3.46 118.68 119.54 2edr s LEU 32 Ca -0.06 -0.64 0.27 0.00 -1.03 0.00 0.00 54.13 52.66 2edr s LEU 32 Cb -0.10 -0.61 1.22 0.00 0.03 0.00 0.00 46.19 46.74 2edr s LEU 32 CO 0.01 -0.05 1.64 -1.28 0.23 0.00 0.00 176.35 176.90 2edr h SER 33 N 4.20 0.00 -3.02 2.29 0.87 -0.79 -3.42 113.55 113.68 2edr h SER 33 Ca -0.42 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.29 2edr h SER 33 Cb 1.19 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 62.87 2edr h SER 33 CO 0.41 0.00 0.72 -1.59 -0.53 0.00 0.00 176.83 175.84 2edr s LYS 34 N -4.48 0.28 -0.35 2.24 -2.85 -1.26 -4.93 119.74 108.39 2edr s LYS 34 Ca -0.03 0.20 -0.32 0.00 -1.00 0.00 0.00 55.97 54.83 2edr s LYS 34 Cb 0.14 0.13 -0.14 0.00 -2.06 0.00 0.00 37.83 35.91 2edr s LYS 34 CO 0.47 -0.06 1.41 0.00 0.10 0.00 0.00 175.35 177.27 2edr n ALA 35 N 1.33 -0.13 -3.33 0.59 0.00 -1.26 -4.69 120.51 113.02 2edr n ALA 35 Ca -0.09 0.19 -0.15 0.00 0.00 0.00 0.00 53.44 53.40 2edr n ALA 35 Cb 0.57 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 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 3.68 -1.29 0.45 0.00 0.00 -1.26 -4.86 121.76 118.48 2edr s ALA 36 Ca 0.82 0.69 -0.23 0.00 0.00 0.00 0.00 51.96 53.23 2edr s ALA 36 Cb -1.06 0.22 -0.08 0.00 0.00 0.00 0.00 23.12 22.21 2edr s ALA 36 CO 0.49 -0.42 1.17 -1.25 0.00 0.00 0.00 175.76 175.75 2edr s PRO 37 N -1.92 3.82 0.32 0.00 0.04 -1.26 -4.95 135.00 131.04 2edr s PRO 37 Ca -0.08 1.79 0.05 0.00 0.04 0.00 0.00 61.00 62.80 2edr s PRO 37 Cb -0.01 -2.46 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 2edr s PRO 37 CO 0.02 -0.51 0.21 0.14 0.04 0.00 0.00 177.00 176.90 2edr s VAL 38 N -1.52 0.18 -0.23 -0.36 -7.23 -1.26 -4.64 120.40 105.34 2edr s VAL 38 Ca 0.62 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.76 2edr s VAL 38 Cb -0.29 -2.48 0.10 0.00 0.56 0.00 0.00 36.38 34.27 2edr s VAL 38 CO 0.36 0.00 0.23 -0.70 -0.31 0.00 0.00 175.10 174.67 2edr s GLU 39 N -3.68 0.22 0.52 4.82 2.12 0.41 -4.94 118.70 118.17 2edr s GLU 39 Ca 0.37 0.08 -0.19 0.00 0.36 0.00 0.00 54.97 55.59 2edr s GLU 39 Cb 0.04 -1.11 -0.07 0.00 0.26 0.00 0.00 34.13 33.25 2edr s GLU 39 CO 0.21 -0.75 1.05 -1.58 -0.54 0.00 0.00 175.26 173.65 2edr s TRP 40 N 2.31 2.96 -0.06 5.30 0.52 -1.23 -0.33 118.94 128.42 2edr s TRP 40 Ca 0.07 1.56 -0.02 0.00 0.02 0.00 0.00 56.10 57.73 2edr s TRP 40 Cb -0.15 -3.07 0.04 0.00 -1.15 0.00 0.00 33.47 29.13 2edr s TRP 40 CO -0.18 -0.97 0.11 1.03 0.02 0.00 0.00 176.95 176.96 2edr s ARG 41 N -3.45 -0.00 -1.01 4.98 0.52 0.26 0.12 118.95 120.37 2edr s ARG 41 Ca 0.67 0.42 -0.21 0.00 -0.52 0.00 0.00 55.73 56.09 2edr s ARG 41 Cb -0.17 -0.33 0.09 0.00 0.52 0.00 0.00 34.95 35.06 2edr s ARG 41 CO 0.25 -0.27 1.33 0.21 0.02 0.00 0.00 175.30 176.84 2edr s LYS 42 N 1.88 3.64 0.21 3.54 2.20 -1.24 -0.15 119.74 129.82 2edr s LYS 42 Ca -0.00 -1.49 0.00 0.00 -0.36 0.00 0.00 55.97 54.12 2edr s LYS 42 Cb -0.12 -5.17 0.00 0.00 -1.51 0.00 0.00 37.83 31.02 2edr s LYS 42 CO -0.04 -2.01 0.00 0.41 -0.36 0.00 0.00 175.35 173.34 2edr n GLY 43 N 6.12 1.64 1.72 5.54 0.00 0.16 -2.73 105.19 117.64 2edr n GLY 43 Ca 0.30 0.30 0.01 0.00 0.00 0.00 0.00 46.02 46.63 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 0.00 0.99 -3.35 1.61 1.85 -1.26 -4.94 116.66 111.56 2edr n ARG 44 Ca 0.00 -2.77 -0.15 0.00 -1.00 0.00 0.00 57.85 53.93 2edr n ARG 44 Cb 0.00 -0.86 -0.04 0.00 -1.05 0.00 0.00 32.46 30.51 2edr n ARG 44 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2edr n GLU 45 N -0.14 0.92 -3.96 2.89 2.13 -1.10 -5.14 120.64 116.23 2edr n GLU 45 Ca 0.12 -1.92 -0.30 0.00 0.66 0.00 0.00 57.16 55.71 2edr n GLU 45 Cb 0.97 0.87 -0.16 0.00 0.27 0.00 0.00 31.44 33.40 2edr n GLU 45 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2edr s SER 46 N -2.41 3.66 -0.22 4.31 0.15 -1.26 -3.61 113.70 114.31 2edr s SER 46 Ca 0.08 -1.05 -0.16 0.00 0.70 0.00 0.00 55.95 55.51 2edr s SER 46 Cb 0.00 -1.20 -0.04 0.00 -1.71 0.00 0.00 66.02 63.08 2edr s SER 46 CO 0.06 -0.20 0.43 -0.76 1.20 0.00 0.00 173.24 173.97 2edr s LEU 47 N 1.39 4.12 0.16 3.45 1.43 0.12 -4.94 118.68 124.41 2edr s LEU 47 Ca -0.04 0.50 0.03 0.00 -1.03 0.00 0.00 54.13 53.59 2edr s LEU 47 Cb -0.18 -2.55 -0.05 0.00 0.03 0.00 0.00 46.19 43.45 2edr s LEU 47 CO -0.07 -0.14 -0.04 0.00 0.23 0.00 0.00 176.35 176.33 2edr s ARG 48 N 1.63 1.07 0.01 1.70 1.04 -1.26 -3.58 118.95 119.55 2edr s ARG 48 Ca 0.19 -1.49 -0.30 0.00 -1.04 0.00 0.00 55.73 53.10 2edr s ARG 48 Cb -0.15 -0.41 -0.08 0.00 -2.04 0.00 0.00 34.95 32.27 2edr s ARG 48 CO 0.09 -0.04 1.85 0.16 -0.04 0.00 0.00 175.30 177.32 2edr s ASP 49 N -3.16 6.53 0.00 -2.89 -4.77 -1.26 -4.68 116.67 106.43 2edr s ASP 49 Ca 0.20 2.52 0.00 0.00 -3.30 0.00 0.00 52.55 51.97 2edr s ASP 49 Cb 0.05 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.35 2edr s ASP 49 CO 0.02 -1.01 0.00 0.61 0.70 0.00 0.00 175.17 175.49 2edr n GLY 50 N 4.39 4.09 0.00 2.12 0.00 -0.90 -5.01 105.19 109.88 2edr n GLY 50 Ca 0.19 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.07 1.61 8.00 -1.26 -4.24 116.55 120.58 2edr n ASP 51 Ca 0.00 0.66 -0.13 0.00 0.71 0.00 0.00 54.79 56.03 2edr n ASP 51 Cb 0.00 -0.23 -0.06 0.00 -0.02 0.00 0.00 41.12 40.81 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 -1.94 0.34 -1.14 -1.24 5.12 -1.26 -4.97 116.66 111.57 2edr n ARG 52 Ca 0.00 0.11 -0.42 0.00 -1.93 0.00 0.00 57.85 55.61 2edr n ARG 52 Cb 0.00 -1.17 -0.11 0.00 -1.16 0.00 0.00 32.46 30.02 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 -3.29 0.71 -3.72 -1.55 8.25 -1.23 -4.82 115.22 109.56 2edr n HIS 53 Ca -0.28 0.48 -0.37 0.00 -0.26 0.00 0.00 57.72 57.29 2edr n HIS 53 Cb 0.74 -1.94 -0.12 0.00 1.12 0.00 0.00 29.99 29.79 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 6.23 5.28 -0.49 0.41 0.15 -0.67 -2.11 113.70 122.50 2edr s SER 54 Ca 1.06 -0.21 0.03 0.00 0.70 0.00 0.00 55.95 57.53 2edr s SER 54 Cb -1.14 -1.95 0.43 0.00 -1.71 0.00 0.00 66.02 61.65 2edr s SER 54 CO 0.48 -0.05 1.49 0.18 1.20 0.00 0.00 173.24 176.54 2edr n LEU 55 N 4.95 5.91 -4.77 3.45 7.99 -1.25 -1.19 117.00 132.08 2edr n LEU 55 Ca -0.16 -4.76 -0.41 0.00 -0.01 0.00 0.00 56.01 50.68 2edr n LEU 55 Cb 0.51 -0.62 -0.02 0.00 -0.11 0.00 0.00 43.42 43.18 2edr n LEU 55 CO 0.31 1.94 0.97 0.00 -1.51 0.00 0.00 177.39 179.10 2edr s ARG 56 N -3.71 4.37 0.50 3.23 1.70 -1.20 -4.71 118.95 119.13 2edr s ARG 56 Ca 0.54 2.18 0.04 0.00 -0.47 0.00 0.00 55.73 58.02 2edr s ARG 56 Cb 0.44 -3.09 -0.00 0.00 -0.57 0.00 0.00 34.95 31.72 2edr s ARG 56 CO -0.09 -0.17 0.20 -0.65 -1.08 0.00 0.00 175.30 173.51 2edr s GLN 57 N -1.58 2.22 -0.30 3.89 -0.21 -1.26 -1.64 119.66 120.78 2edr s GLN 57 Ca 0.50 -2.11 -0.03 0.00 0.02 0.00 0.00 55.36 53.74 2edr s GLN 57 Cb -0.39 -1.87 0.19 0.00 1.00 0.00 0.00 33.01 31.94 2edr s GLN 57 CO 0.51 -0.39 0.76 0.34 -2.12 0.00 0.00 175.29 174.39 2edr s ASP 58 N -4.04 -1.13 -0.43 5.90 2.15 0.14 -4.94 116.67 114.33 2edr s ASP 58 Ca 0.26 0.40 -0.12 0.00 0.43 0.00 0.00 52.55 53.52 2edr s ASP 58 Cb 0.01 1.82 0.02 0.00 -0.30 0.00 0.00 42.92 44.47 2edr s ASP 58 CO 0.15 -0.21 0.42 0.61 -0.17 0.00 0.00 175.17 175.97 2edr n GLY 59 N 5.38 -0.40 3.20 2.66 0.00 -1.26 -1.54 105.19 113.22 2edr n GLY 59 Ca 0.02 0.57 -0.15 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.08 -1.84 -3.20 4.61 0.00 -1.26 -4.72 120.51 113.02 2edr n ALA 60 Ca -0.14 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2edr n ALA 60 Cb 0.46 -2.29 -0.02 0.00 0.00 0.00 0.00 19.45 17.59 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 -3.33 -0.88 0.11 0.00 1.01 -0.59 -2.82 120.40 113.90 2edr s VAL 61 Ca 0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 2edr s VAL 61 Cb -0.00 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 2edr s VAL 61 CO 0.66 -0.06 0.36 0.00 0.00 0.00 0.00 175.10 176.06 2edr s GLU 63 N -2.39 0.02 -0.22 0.00 2.02 -0.65 -1.68 118.70 115.80 2edr s GLU 63 Ca 0.38 0.35 -0.13 0.00 0.02 0.00 0.00 54.97 55.59 2edr s GLU 63 Cb -0.13 -0.74 -0.05 0.00 0.10 0.00 0.00 34.13 33.32 2edr s GLU 63 CO 0.22 -0.42 0.27 -1.17 0.02 0.00 0.00 175.26 174.18 2edr s LEU 64 N 2.23 4.14 -0.24 1.80 2.96 -0.70 -3.23 118.68 125.65 2edr s LEU 64 Ca 0.04 0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.27 2edr s LEU 64 Cb -0.13 -2.29 0.04 0.00 0.50 0.00 0.00 46.19 44.30 2edr s LEU 64 CO -0.06 0.01 -0.12 -1.58 -1.32 0.00 0.00 176.35 173.28 2edr s GLN 65 N 1.11 2.63 -0.28 1.98 0.74 -0.33 -0.25 119.66 125.25 2edr s GLN 65 Ca 0.13 -1.09 -0.00 0.00 0.05 0.00 0.00 55.36 54.44 2edr s GLN 65 Cb -0.14 -2.84 0.05 0.00 1.10 0.00 0.00 33.01 31.18 2edr s GLN 65 CO 0.06 -0.42 -0.04 0.42 -0.55 0.00 0.00 175.29 174.75 2edr s ILE 66 N 1.22 2.72 0.73 -2.34 1.01 -0.44 -1.67 121.20 122.44 2edr s ILE 66 Ca -0.02 -1.40 -0.10 0.00 0.00 0.00 0.00 60.65 59.13 2edr s ILE 66 Cb -0.17 -2.54 0.05 0.00 0.01 0.00 0.00 42.46 39.80 2edr s ILE 66 CO -0.07 -0.03 1.09 0.00 0.00 0.00 0.00 174.94 175.93 2edr n GLY 68 N -3.05 -0.77 3.58 0.00 0.00 -1.24 -4.93 105.19 98.78 2edr n GLY 68 Ca 0.07 0.36 -0.30 0.00 0.00 0.00 0.00 46.02 46.16 2edr n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2edr s LEU 69 N -6.14 1.83 -0.28 0.99 1.43 -0.56 -4.81 118.68 111.15 2edr s LEU 69 Ca 0.27 1.84 -0.16 0.00 -1.03 0.00 0.00 54.13 55.06 2edr s LEU 69 Cb -0.06 -3.99 0.08 0.00 0.03 0.00 0.00 46.19 42.25 2edr s LEU 69 CO 0.79 -3.64 0.68 0.00 0.23 0.00 0.00 176.35 174.40 2edr s ALA 70 N -2.56 -1.86 0.58 4.21 0.00 -1.26 -2.21 121.76 118.66 2edr s ALA 70 Ca 0.67 2.40 0.33 0.00 0.00 0.00 0.00 51.96 55.36 2edr s ALA 70 Cb -0.24 -1.42 1.12 0.00 0.00 0.00 0.00 23.12 22.58 2edr s ALA 70 CO 0.61 -0.39 1.35 0.28 0.00 0.00 0.00 175.76 177.61 2edr n VAL 71 N 4.34 0.00 -0.00 0.00 0.31 -1.26 0.21 118.33 121.92 2edr n VAL 71 Ca -0.20 1.30 -0.17 0.00 -0.01 0.00 0.00 64.34 65.26 2edr n VAL 71 Cb 0.59 -2.28 -0.09 0.00 -0.91 0.00 0.00 33.84 31.14 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 0.64 0.16 -0.65 3.52 0.00 -1.97 -3.17 119.26 117.80 2edr h ALA 72 Ca 0.61 -0.58 0.19 0.00 0.00 0.00 0.00 54.91 55.13 2edr h ALA 72 Cb 3.13 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 20.91 2edr h ALA 72 CO -0.01 0.48 0.49 -0.44 0.00 0.00 0.00 179.25 179.77 2edr h ASP 73 N 0.17 0.00 -3.57 0.00 5.19 0.20 -3.42 116.42 114.99 2edr h ASP 73 Ca -0.07 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.78 2edr h ASP 73 Cb 1.35 0.00 0.18 0.00 0.18 0.00 0.00 39.33 41.03 2edr h ASP 73 CO 0.14 0.00 -0.05 0.00 -3.12 0.00 0.00 179.24 176.21 2edr n ALA 74 N -2.63 -0.56 0.00 3.45 0.00 -1.17 -4.73 120.51 114.88 2edr n ALA 74 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2edr n ALA 74 Cb 0.74 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 1.29 -1.36 3.15 0.00 0.00 -0.82 -5.02 105.19 102.44 2edr n GLY 75 Ca 0.12 0.48 0.05 0.00 0.00 0.00 0.00 46.02 46.68 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 0.17 0.42 1.61 2.12 -1.26 -3.68 118.70 118.08 2edr s GLU 76 Ca 0.00 0.28 -0.02 0.00 0.36 0.00 0.00 54.97 55.59 2edr s GLU 76 Cb 0.00 0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.51 2edr s GLU 76 CO 0.00 -0.22 0.66 0.71 -0.54 0.00 0.00 175.26 175.88 2edr s TYR 77 N 2.95 3.48 0.03 5.30 1.51 -0.91 0.35 117.35 130.06 2edr s TYR 77 Ca 0.04 0.51 -0.08 0.00 -1.01 0.00 0.00 57.07 56.53 2edr s TYR 77 Cb -0.09 -2.13 0.00 0.00 -0.11 0.00 0.00 41.96 39.64 2edr s TYR 77 CO -0.13 -0.12 0.16 -1.12 -1.11 0.00 0.00 175.55 173.23 2edr s SER 78 N -4.10 0.06 -0.24 2.29 0.01 0.79 -0.06 113.70 112.45 2edr s SER 78 Ca 0.44 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 57.38 2edr s SER 78 Cb -0.10 0.25 0.05 0.00 0.21 0.00 0.00 66.02 66.43 2edr s SER 78 CO 0.40 -0.50 -0.13 0.00 0.41 0.00 0.00 173.24 173.42 2edr s VAL 80 N 1.15 5.42 -0.04 0.00 1.01 0.55 -2.49 120.40 126.01 2edr s VAL 80 Ca -0.05 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.15 2edr s VAL 80 Cb -0.18 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2edr s VAL 80 CO -0.07 0.46 -0.02 0.00 0.00 0.00 0.00 175.10 175.47 2edr n GLY 82 N 3.08 -2.38 0.10 0.00 0.00 -1.26 -4.84 105.19 99.89 2edr n GLY 82 Ca -0.07 0.78 -0.12 0.00 0.00 0.00 0.00 46.02 46.61 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 -0.63 0.86 -4.06 1.61 1.02 -1.26 -4.99 120.64 113.20 2edr n GLU 83 Ca 0.00 0.05 -0.29 0.00 -0.02 0.00 0.00 57.16 56.90 2edr n GLU 83 Cb 0.00 -1.46 -0.06 0.00 -0.02 0.00 0.00 31.44 29.90 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 -2.45 2.89 -0.13 3.49 4.04 -1.26 -5.12 118.70 120.16 2edr s GLU 84 Ca -0.18 -0.77 -0.10 0.00 0.04 0.00 0.00 54.97 53.97 2edr s GLU 84 Cb 0.06 -2.69 0.04 0.00 0.02 0.00 0.00 34.13 31.57 2edr s GLU 84 CO 0.65 0.53 0.33 0.50 -1.84 0.00 0.00 175.26 175.44 2edr s ARG 85 N -2.70 0.35 0.12 -4.83 3.52 -1.26 -3.34 118.95 110.80 2edr s ARG 85 Ca 0.30 0.57 0.04 0.00 -0.13 0.00 0.00 55.73 56.51 2edr s ARG 85 Cb -0.11 0.06 -0.04 0.00 -1.56 0.00 0.00 34.95 33.30 2edr s ARG 85 CO 0.23 -0.10 0.09 -0.08 -0.81 0.00 0.00 175.30 174.62 2edr s THR 86 N 0.75 4.40 0.14 4.11 -1.32 -1.04 -4.91 115.64 117.77 2edr s THR 86 Ca -0.05 -0.96 0.08 0.00 -1.21 0.00 0.00 61.69 59.55 2edr s THR 86 Cb -0.06 -3.17 -0.04 0.00 -1.51 0.00 0.00 72.50 67.72 2edr s THR 86 CO -0.05 0.02 -0.17 -0.94 -2.21 0.00 0.00 174.62 171.27 2edr s SER 87 N -2.69 2.41 -0.21 8.08 1.04 -1.26 0.01 113.70 121.08 2edr s SER 87 Ca 0.29 -0.81 -0.04 0.00 0.48 0.00 0.00 55.95 55.87 2edr s SER 87 Cb -0.11 -0.12 0.11 0.00 0.10 0.00 0.00 66.02 65.99 2edr s SER 87 CO 0.22 -0.06 0.33 0.00 0.98 0.00 0.00 173.24 174.71 2edr s ALA 88 N -1.91 -0.84 -0.08 5.32 0.00 0.91 -4.54 121.76 120.62 2edr s ALA 88 Ca 0.12 0.87 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 2edr s ALA 88 Cb -0.06 -1.44 -0.06 0.00 0.00 0.00 0.00 23.12 21.56 2edr s ALA 88 CO 0.05 -1.07 1.91 0.99 0.00 0.00 0.00 175.76 177.64 2edr s THR 89 N 2.49 3.23 -0.28 0.00 2.01 -1.26 -2.15 115.64 119.68 2edr s THR 89 Ca 0.07 0.26 -0.11 0.00 0.31 0.00 0.00 61.69 62.23 2edr s THR 89 Cb -0.14 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 2edr s THR 89 CO -0.13 -0.07 0.19 -0.22 -0.69 0.00 0.00 174.62 173.70 2edr s LEU 90 N 5.40 4.02 -0.22 4.42 2.96 -1.24 -2.87 118.68 131.16 2edr s LEU 90 Ca 0.86 0.00 -0.08 0.00 -0.22 0.00 0.00 54.13 54.69 2edr s LEU 90 Cb -0.36 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 2edr s LEU 90 CO 0.36 -0.05 0.09 -0.89 -1.32 0.00 0.00 176.35 174.54 2edr s THR 91 N 1.73 4.71 -0.05 3.68 2.01 -0.97 -1.94 115.64 124.81 2edr s THR 91 Ca 0.07 -0.05 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 2edr s THR 91 Cb -0.16 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 2edr s THR 91 CO 0.11 0.38 0.13 -0.69 -0.69 0.00 0.00 174.62 173.86 2edr s VAL 92 N 1.03 5.24 0.37 3.82 1.01 -1.26 0.67 120.40 131.29 2edr s VAL 92 Ca 0.05 -0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.02 2edr s VAL 92 Cb -0.14 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2edr s VAL 92 CO 0.03 0.46 0.24 -0.54 0.00 0.00 0.00 175.10 175.29 2edr s LYS 93 N -1.49 2.45 -0.36 2.72 -0.14 0.11 -4.88 119.74 118.14 2edr s LYS 93 Ca 0.21 -1.56 -0.17 0.00 -1.36 0.00 0.00 55.97 53.08 2edr s LYS 93 Cb -0.12 -2.24 -0.00 0.00 -1.68 0.00 0.00 37.83 33.78 2edr s LYS 93 CO 0.11 -0.02 0.47 0.00 -0.76 0.00 0.00 175.35 175.15 2edr s ALA 94 N -2.45 3.47 0.45 5.17 0.00 -1.26 0.89 121.76 128.02 2edr s ALA 94 Ca 0.42 -1.15 -0.25 0.00 0.00 0.00 0.00 51.96 50.98 2edr s ALA 94 Cb -0.02 -2.99 -0.08 0.00 0.00 0.00 0.00 23.12 20.03 2edr s ALA 94 CO 0.25 -1.27 1.39 -0.48 0.00 0.00 0.00 175.76 175.65 2edr s LEU 95 N 2.28 4.10 -0.43 0.00 0.05 -1.26 -4.86 118.68 118.57 2edr s LEU 95 Ca 0.16 2.84 -0.28 0.00 0.05 0.00 0.00 54.13 56.90 2edr s LEU 95 Cb -0.16 -3.97 -0.01 0.00 -2.05 0.00 0.00 46.19 40.00 2edr s LEU 95 CO 0.13 -1.15 1.75 -2.16 -0.55 0.00 0.00 176.35 174.37 2edr s PRO 96 N -2.46 3.17 -0.19 1.48 0.04 -1.26 -4.98 135.00 130.79 2edr s PRO 96 Ca 0.61 1.11 -0.06 0.00 0.04 0.00 0.00 61.00 62.70 2edr s PRO 96 Cb -0.42 -4.22 -0.03 0.00 0.04 0.00 0.00 34.50 29.87 2edr s PRO 96 CO 0.53 -2.06 0.02 -1.54 0.04 0.00 0.00 177.00 173.99 2edr s SER 97 N 6.31 5.12 0.00 6.66 1.04 -1.26 -4.83 113.70 126.74 2edr s SER 97 Ca 0.73 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 57.06 2edr s SER 97 Cb -0.18 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 64.07 2edr s SER 97 CO 0.30 0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.24 2edr n GLY 98 N 3.93 1.71 3.58 7.32 0.00 -1.26 -5.02 105.19 115.45 2edr n GLY 98 Ca -0.17 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 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 3.14 0.07 1.61 0.04 -1.26 -4.91 135.00 133.69 2edr s PRO 99 Ca 0.00 1.07 -0.28 0.00 0.04 0.00 0.00 61.00 61.84 2edr s PRO 99 Cb 0.00 -4.23 0.09 0.00 0.04 0.00 0.00 34.50 30.40 2edr s PRO 99 CO 0.00 -2.10 1.13 0.45 0.04 0.00 0.00 177.00 176.52 2edr s SER 100 N 6.40 -0.10 0.23 6.66 0.15 -1.26 -5.04 113.70 120.73 2edr s SER 100 Ca 0.72 -0.28 -0.09 0.00 0.70 0.00 0.00 55.95 57.00 2edr s SER 100 Cb -0.18 0.32 0.35 0.00 -1.71 0.00 0.00 66.02 64.80 2edr s SER 100 CO 0.29 -0.60 1.65 0.28 1.20 0.00 0.00 173.24 176.06 2edr h SER 101 N 2.00 -0.31 0.00 5.45 0.02 -2.01 -3.55 113.55 115.16 2edr h SER 101 Ca -0.27 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2edr h SER 101 Cb 1.22 0.30 0.00 0.00 0.14 0.00 0.00 62.40 64.05 2edr h SER 101 CO 0.27 -0.14 0.00 0.61 -1.14 0.00 0.00 176.83 176.44