#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 2.39 0.09 1.61 0.01 -1.26 -5.15 113.70 111.39 2edr s SER 2 Ca 0.00 -0.96 -0.01 0.00 1.31 0.00 0.00 55.95 56.30 2edr s SER 2 Cb 0.00 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.08 2edr s SER 2 CO 0.00 -0.16 0.26 -0.44 0.41 0.00 0.00 173.24 173.31 2edr s SER 3 N -3.04 6.39 0.00 2.44 0.01 -1.26 -4.27 113.70 113.97 2edr s SER 3 Ca 0.18 0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.77 2edr s SER 3 Cb -0.02 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.23 2edr s SER 3 CO 0.05 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.44 2edr n GLY 4 N 0.13 2.67 2.30 3.44 0.00 -1.26 -4.73 105.19 107.74 2edr n GLY 4 Ca -0.05 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 2edr n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2edr n SER 5 N 2.84 7.34 -0.10 1.61 2.88 -1.26 -4.74 113.62 122.19 2edr n SER 5 Ca 0.00 -3.79 -0.08 0.00 -1.33 0.00 0.00 58.87 53.68 2edr n SER 5 Cb 0.00 -0.90 -0.02 0.00 -0.75 0.00 0.00 64.21 62.55 2edr n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2edr h SER 6 N 2.04 -1.02 -3.50 -3.46 0.87 -1.85 -3.41 113.55 103.22 2edr h SER 6 Ca 0.58 0.18 -0.53 0.00 -1.23 0.00 0.00 61.79 60.79 2edr h SER 6 Cb 0.89 0.48 -0.03 0.00 -0.44 0.00 0.00 62.40 63.30 2edr h SER 6 CO 1.49 -0.32 -0.03 -0.83 -0.53 0.00 0.00 176.83 176.61 2edr s GLY 7 N -2.88 2.37 0.48 5.77 0.00 -1.26 -5.06 107.32 106.74 2edr s GLY 7 Ca -0.15 -0.11 -0.08 0.00 0.00 0.00 0.00 44.72 44.38 2edr s GLY 7 CO 0.68 0.09 0.42 -1.55 0.00 0.00 0.00 173.10 172.74 2edr n PRO 8 N 0.09 -1.84 -2.26 2.90 -0.04 -1.26 -4.94 135.00 127.64 2edr n PRO 8 Ca -0.00 -0.67 -0.43 0.00 -0.04 0.00 0.00 63.50 62.36 2edr n PRO 8 Cb 0.52 -0.63 -0.02 0.00 -0.04 0.00 0.00 33.50 33.33 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 -2.99 3.63 -0.20 0.55 0.00 -1.26 -4.96 121.76 116.53 2edr s ALA 9 Ca 0.27 0.68 -0.25 0.00 0.00 0.00 0.00 51.96 52.66 2edr s ALA 9 Cb -0.03 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 2edr s ALA 9 CO 0.21 -1.19 0.84 -3.38 0.00 0.00 0.00 175.76 172.24 2edr s HIS 10 N 3.46 3.38 -0.33 0.00 -3.43 -1.26 -4.70 115.29 112.41 2edr s HIS 10 Ca 0.62 1.23 -0.34 0.00 -0.80 0.00 0.00 55.06 55.76 2edr s HIS 10 Cb -0.27 -3.04 -0.11 0.00 -1.43 0.00 0.00 32.58 27.74 2edr s HIS 10 CO 0.21 -0.30 2.18 1.19 -2.00 0.00 0.00 174.74 176.02 2edr n PHE 11 N 5.53 1.66 -0.06 0.38 3.72 -1.26 -2.09 117.46 125.34 2edr n PHE 11 Ca 0.05 0.23 -0.09 0.00 -0.05 0.00 0.00 57.45 57.59 2edr n PHE 11 Cb 0.48 -2.56 -0.15 0.00 -0.94 0.00 0.00 39.48 36.32 2edr n PHE 11 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 2edr n ILE 12 N 7.18 1.50 -3.39 4.37 -5.35 -1.21 -4.60 119.36 117.86 2edr n ILE 12 Ca 0.39 -0.83 -0.27 0.00 -0.27 0.00 0.00 62.75 61.78 2edr n ILE 12 Cb 0.25 -0.75 -0.08 0.00 -1.74 0.00 0.00 39.64 37.32 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 4.72 2.79 3.28 0.00 -1.20 -5.01 105.19 111.43 2edr n GLY 13 Ca -0.25 -2.70 -0.34 0.00 0.00 0.00 0.00 46.02 42.74 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 0.84 0.00 -0.18 1.61 1.74 -1.26 -2.72 116.66 116.69 2edr n ARG 14 Ca 0.29 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.25 2edr n ARG 14 Cb 0.42 -0.89 0.12 0.00 -1.02 0.00 0.00 32.46 31.09 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 2.62 0.00 -3.64 0.55 4.77 -1.26 -4.80 117.00 115.24 2edr n LEU 15 Ca 0.03 -0.36 -0.12 0.00 -0.03 0.00 0.00 56.01 55.52 2edr n LEU 15 Cb 0.45 -0.47 -0.12 0.00 -2.33 0.00 0.00 43.42 40.95 2edr n LEU 15 CO 0.48 -2.07 -0.10 0.00 -1.33 0.00 0.00 177.39 174.36 2edr s ARG 16 N -3.42 0.19 -0.47 3.23 3.03 -1.26 -4.93 118.95 115.33 2edr s ARG 16 Ca 0.28 0.77 -0.43 0.00 2.03 0.00 0.00 55.73 58.38 2edr s ARG 16 Cb -0.05 -0.04 -0.18 0.00 -1.03 0.00 0.00 34.95 33.65 2edr s ARG 16 CO 0.23 -0.31 1.67 0.72 -1.13 0.00 0.00 175.30 176.48 2edr n HIS 17 N 5.36 1.45 -5.02 5.89 8.25 -1.26 -4.87 115.22 125.02 2edr n HIS 17 Ca -0.06 0.95 -0.32 0.00 -0.26 0.00 0.00 57.72 58.03 2edr n HIS 17 Cb 0.50 -2.11 -0.14 0.00 1.12 0.00 0.00 29.99 29.36 2edr n HIS 17 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2edr s GLN 18 N 3.78 2.38 -0.35 -0.41 -2.07 -1.16 -4.97 119.66 116.85 2edr s GLN 18 Ca 1.03 -0.77 -0.06 0.00 -1.82 0.00 0.00 55.36 53.74 2edr s GLN 18 Cb -1.40 -2.27 0.05 0.00 -1.09 0.00 0.00 33.01 28.29 2edr s GLN 18 CO 0.72 0.60 0.13 -2.00 -1.32 0.00 0.00 175.29 173.42 2edr s GLU 19 N -0.70 2.57 0.51 9.60 2.12 -1.26 -1.13 118.70 130.41 2edr s GLU 19 Ca 0.11 -1.27 0.08 0.00 0.36 0.00 0.00 54.97 54.25 2edr s GLU 19 Cb -0.10 -3.50 0.04 0.00 0.26 0.00 0.00 34.13 30.83 2edr s GLU 19 CO 0.00 -0.73 0.60 -1.12 -0.54 0.00 0.00 175.26 173.46 2edr s SER 20 N 1.53 5.11 0.16 -1.70 0.01 0.24 -4.95 113.70 114.10 2edr s SER 20 Ca -0.01 -0.83 0.06 0.00 1.31 0.00 0.00 55.95 56.49 2edr s SER 20 Cb -0.20 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 2edr s SER 20 CO 0.02 -1.06 0.07 -0.63 0.41 0.00 0.00 173.24 172.06 2edr s ILE 21 N -2.59 4.16 0.14 1.44 -1.09 -1.26 -0.76 121.20 121.24 2edr s ILE 21 Ca 0.52 -1.21 -0.31 0.00 -2.23 0.00 0.00 60.65 57.42 2edr s ILE 21 Cb -0.05 -3.10 -0.08 0.00 -1.58 0.00 0.00 42.46 37.64 2edr s ILE 21 CO 0.32 -0.09 1.40 -0.70 -1.23 0.00 0.00 174.94 174.64 2edr s GLU 22 N -2.99 4.32 0.00 2.79 2.12 0.33 -2.40 118.70 122.86 2edr s GLU 22 Ca 0.29 2.12 0.00 0.00 0.36 0.00 0.00 54.97 57.74 2edr s GLU 22 Cb -0.10 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.07 2edr s GLU 22 CO 0.21 -0.43 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 2edr n GLY 23 N 3.29 3.18 3.90 -1.50 0.00 0.48 -4.30 105.19 110.24 2edr n GLY 23 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.00 2.22 -0.39 4.61 0.00 -1.01 -3.96 121.76 121.23 2edr s ALA 24 Ca 0.00 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 50.80 2edr s ALA 24 Cb 0.00 -2.83 0.04 0.00 0.00 0.00 0.00 23.12 20.33 2edr s ALA 24 CO 0.00 -2.34 0.24 0.99 0.00 0.00 0.00 175.76 174.65 2edr s THR 25 N -3.76 4.56 1.08 0.00 2.01 -1.26 -1.04 115.64 117.24 2edr s THR 25 Ca 0.71 -1.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.59 2edr s THR 25 Cb -0.06 -3.62 0.24 0.00 0.01 0.00 0.00 72.50 69.07 2edr s THR 25 CO 0.52 -0.33 1.06 0.00 -0.69 0.00 0.00 174.62 175.18 2edr s ALA 26 N 1.53 0.21 -0.30 7.40 0.00 0.13 -4.79 121.76 125.95 2edr s ALA 26 Ca 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 51.96 51.80 2edr s ALA 26 Cb -0.20 -3.21 0.19 0.00 0.00 0.00 0.00 23.12 19.89 2edr s ALA 26 CO 0.06 -3.38 0.72 0.99 0.00 0.00 0.00 175.76 174.15 2edr s THR 27 N -2.66 -0.82 0.41 0.00 2.01 -1.25 -2.29 115.64 111.03 2edr s THR 27 Ca 0.67 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.71 2edr s THR 27 Cb -0.22 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.32 2edr s THR 27 CO 0.61 0.00 0.58 -0.76 -0.69 0.00 0.00 174.62 174.37 2edr s LEU 28 N 2.88 3.74 -0.27 4.42 1.43 0.74 -4.91 118.68 126.72 2edr s LEU 28 Ca 0.15 -0.05 -0.20 0.00 -1.03 0.00 0.00 54.13 53.00 2edr s LEU 28 Cb -0.13 -2.88 0.07 0.00 0.03 0.00 0.00 46.19 43.29 2edr s LEU 28 CO -0.20 -0.65 0.70 -0.60 0.23 0.00 0.00 176.35 175.83 2edr s ARG 29 N -4.39 0.76 0.26 1.70 3.52 -1.26 -2.17 118.95 117.37 2edr s ARG 29 Ca 0.49 1.12 0.03 0.00 -0.13 0.00 0.00 55.73 57.23 2edr s ARG 29 Cb -0.10 0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.51 2edr s ARG 29 CO 0.34 -0.13 0.18 0.00 -0.81 0.00 0.00 175.30 174.89 2edr s GLU 31 N -3.86 1.21 0.08 0.00 2.12 -1.10 -2.12 118.70 115.02 2edr s GLU 31 Ca 0.39 -1.27 0.04 0.00 0.36 0.00 0.00 54.97 54.49 2edr s GLU 31 Cb 0.05 -1.41 -0.03 0.00 0.26 0.00 0.00 34.13 33.00 2edr s GLU 31 CO 0.18 0.31 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.58 2edr s LEU 32 N -2.22 2.31 0.30 2.70 1.43 0.85 -3.25 118.68 120.80 2edr s LEU 32 Ca 0.11 -0.66 0.21 0.00 -1.03 0.00 0.00 54.13 52.76 2edr s LEU 32 Cb -0.08 -0.41 1.12 0.00 0.03 0.00 0.00 46.19 46.84 2edr s LEU 32 CO 0.05 -0.15 1.66 -1.54 0.23 0.00 0.00 176.35 176.60 2edr n SER 33 N 1.09 0.57 -3.62 2.29 3.41 -0.89 -4.70 113.62 111.77 2edr n SER 33 Ca -0.20 0.74 -0.07 0.00 -0.26 0.00 0.00 58.87 59.09 2edr n SER 33 Cb 0.55 -0.82 -0.06 0.00 -0.26 0.00 0.00 64.21 63.62 2edr n SER 33 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2edr s LYS 34 N -3.50 0.35 -0.38 4.33 -2.85 -1.26 -4.93 119.74 111.49 2edr s LYS 34 Ca -0.01 0.19 -0.38 0.00 -1.00 0.00 0.00 55.97 54.77 2edr s LYS 34 Cb 0.07 0.16 -0.14 0.00 -2.06 0.00 0.00 37.83 35.86 2edr s LYS 34 CO 0.23 -0.09 2.13 0.00 0.10 0.00 0.00 175.35 177.72 2edr n ALA 35 N 1.12 0.74 -3.25 0.59 0.00 -1.23 -4.73 120.51 113.75 2edr n ALA 35 Ca -0.08 0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 2edr n ALA 35 Cb 0.58 -2.40 -0.07 0.00 0.00 0.00 0.00 19.45 17.56 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 6.60 -1.06 0.27 0.00 0.00 -1.26 -5.01 121.76 121.30 2edr s ALA 36 Ca 1.11 0.49 -0.29 0.00 0.00 0.00 0.00 51.96 53.26 2edr s ALA 36 Cb -1.04 0.20 -0.09 0.00 0.00 0.00 0.00 23.12 22.18 2edr s ALA 36 CO 0.55 -0.38 1.26 -1.25 0.00 0.00 0.00 175.76 175.94 2edr s PRO 37 N -1.87 4.44 0.49 0.00 0.04 -1.26 -5.04 135.00 131.80 2edr s PRO 37 Ca -0.09 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.02 2edr s PRO 37 Cb -0.02 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 2edr s PRO 37 CO 0.02 -0.12 0.01 0.14 0.04 0.00 0.00 177.00 177.10 2edr s VAL 38 N -0.65 1.19 -0.23 -0.36 -7.23 -1.26 -4.54 120.40 107.31 2edr s VAL 38 Ca 0.51 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.65 2edr s VAL 38 Cb -0.37 -2.25 0.10 0.00 0.56 0.00 0.00 36.38 34.43 2edr s VAL 38 CO 0.44 0.00 0.23 -0.70 -0.31 0.00 0.00 175.10 174.76 2edr s GLU 39 N -3.85 0.22 0.31 4.82 2.56 0.41 -4.92 118.70 118.23 2edr s GLU 39 Ca 0.10 0.06 -0.28 0.00 0.00 0.00 0.00 54.97 54.85 2edr s GLU 39 Cb 0.02 -1.09 -0.09 0.00 2.00 0.00 0.00 34.13 34.97 2edr s GLU 39 CO 0.05 -0.77 1.06 -1.58 -0.56 0.00 0.00 175.26 173.47 2edr s TRP 40 N 2.31 3.55 -0.17 5.30 0.52 -1.25 -1.19 118.94 128.01 2edr s TRP 40 Ca 0.08 1.71 -0.05 0.00 0.02 0.00 0.00 56.10 57.86 2edr s TRP 40 Cb -0.15 -3.20 0.06 0.00 -1.15 0.00 0.00 33.47 29.03 2edr s TRP 40 CO -0.19 -0.43 0.08 1.03 0.02 0.00 0.00 176.95 177.46 2edr s ARG 41 N -1.69 0.15 -0.94 4.98 0.52 0.87 -0.03 118.95 122.80 2edr s ARG 41 Ca 0.48 -0.12 -0.22 0.00 -0.52 0.00 0.00 55.73 55.35 2edr s ARG 41 Cb -0.28 -1.84 0.07 0.00 0.52 0.00 0.00 34.95 33.42 2edr s ARG 41 CO 0.36 -0.66 1.30 0.21 0.02 0.00 0.00 175.30 176.54 2edr s LYS 42 N 2.10 3.52 -0.09 3.54 2.20 -1.11 -1.36 119.74 128.53 2edr s LYS 42 Ca 0.02 -1.20 -0.07 0.00 -0.36 0.00 0.00 55.97 54.36 2edr s LYS 42 Cb -0.16 -5.03 0.03 0.00 -1.51 0.00 0.00 37.83 31.16 2edr s LYS 42 CO -0.09 -2.05 0.13 0.41 -0.36 0.00 0.00 175.35 173.40 2edr n GLY 43 N 6.21 -3.47 2.27 5.54 0.00 -0.40 -3.00 105.19 112.33 2edr n GLY 43 Ca 0.25 0.97 -0.03 0.00 0.00 0.00 0.00 46.02 47.21 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 2.00 -2.47 -4.34 1.61 1.85 -1.26 -4.83 116.66 109.22 2edr n ARG 44 Ca -0.22 0.01 -0.18 0.00 -1.00 0.00 0.00 57.85 56.46 2edr n ARG 44 Cb 0.35 -3.66 -0.10 0.00 -1.05 0.00 0.00 32.46 28.00 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 -4.21 1.31 -0.19 2.89 2.12 -1.16 -5.14 118.70 114.31 2edr s GLU 45 Ca 0.05 -1.60 -0.05 0.00 0.36 0.00 0.00 54.97 53.73 2edr s GLU 45 Cb -0.03 -0.94 -0.02 0.00 0.26 0.00 0.00 34.13 33.40 2edr s GLU 45 CO 0.07 0.09 -0.00 0.45 -0.54 0.00 0.00 175.26 175.32 2edr s SER 46 N -3.30 4.83 -0.21 -1.70 0.15 -1.26 -2.76 113.70 109.45 2edr s SER 46 Ca 0.23 -0.19 -0.04 0.00 0.70 0.00 0.00 55.95 56.66 2edr s SER 46 Cb 0.02 -1.82 -0.01 0.00 -1.71 0.00 0.00 66.02 62.50 2edr s SER 46 CO 0.06 0.08 -0.04 -0.76 1.20 0.00 0.00 173.24 173.78 2edr s LEU 47 N 0.91 2.94 0.07 3.45 1.02 0.95 -4.84 118.68 123.17 2edr s LEU 47 Ca 0.01 -0.36 0.04 0.00 0.02 0.00 0.00 54.13 53.84 2edr s LEU 47 Cb -0.14 -1.74 -0.03 0.00 0.02 0.00 0.00 46.19 44.30 2edr s LEU 47 CO 0.02 0.01 -0.12 0.00 0.02 0.00 0.00 176.35 176.28 2edr s ARG 48 N 1.32 0.73 -0.12 1.70 1.70 -1.26 -3.91 118.95 119.11 2edr s ARG 48 Ca 0.04 -0.91 -0.38 0.00 -0.47 0.00 0.00 55.73 54.00 2edr s ARG 48 Cb -0.14 -0.64 -0.15 0.00 -0.57 0.00 0.00 34.95 33.44 2edr s ARG 48 CO -0.02 0.13 1.62 -0.40 -1.08 0.00 0.00 175.30 175.56 2edr n ASP 49 N 1.27 2.30 0.00 -2.89 5.75 -1.26 -4.85 116.55 116.87 2edr n ASP 49 Ca -0.21 1.08 0.00 0.00 -0.01 0.00 0.00 54.79 55.65 2edr n ASP 49 Cb 0.55 -1.20 0.00 0.00 -1.03 0.00 0.00 41.12 39.44 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 3.63 5.15 0.00 6.12 0.00 -0.84 -4.98 105.19 114.28 2edr n GLY 50 Ca 0.23 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 -0.04 1.61 -0.08 -1.26 -3.65 116.55 113.13 2edr n ASP 51 Ca 0.00 0.52 -0.01 0.00 -1.51 0.00 0.00 54.79 53.80 2edr n ASP 51 Cb 0.00 -0.16 -0.11 0.00 2.34 0.00 0.00 41.12 43.19 2edr n ASP 51 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2edr n ARG 52 N -1.69 1.23 -1.52 -0.67 5.12 -1.26 -4.92 116.66 112.94 2edr n ARG 52 Ca 0.00 -0.06 -0.26 0.00 -1.93 0.00 0.00 57.85 55.60 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 -2.28 0.67 -3.45 -1.55 8.25 -1.24 -4.72 115.22 110.90 2edr n HIS 53 Ca -0.13 0.09 -0.39 0.00 -0.26 0.00 0.00 57.72 57.03 2edr n HIS 53 Cb 0.69 -1.82 -0.10 0.00 1.12 0.00 0.00 29.99 29.88 2edr n HIS 53 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2edr s SER 54 N 6.86 6.17 -0.36 0.41 0.01 -1.08 -1.99 113.70 123.72 2edr s SER 54 Ca 1.17 0.11 0.07 0.00 1.31 0.00 0.00 55.95 58.60 2edr s SER 54 Cb -0.63 -2.18 0.59 0.00 0.21 0.00 0.00 66.02 64.01 2edr s SER 54 CO 0.37 -0.17 1.69 0.18 0.41 0.00 0.00 173.24 175.72 2edr n LEU 55 N 5.26 5.40 -3.36 2.44 7.99 -1.25 0.17 117.00 133.65 2edr n LEU 55 Ca -0.10 -3.66 -0.31 0.00 -0.01 0.00 0.00 56.01 51.93 2edr n LEU 55 Cb 0.51 -0.73 0.01 0.00 -0.11 0.00 0.00 43.42 43.09 2edr n LEU 55 CO 0.36 1.14 -0.52 -2.11 -1.51 0.00 0.00 177.39 174.75 2edr n ARG 56 N -1.07 0.00 -3.98 3.23 1.85 -1.16 -4.52 116.66 111.00 2edr n ARG 56 Ca 0.45 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 57.20 2edr n ARG 56 Cb 1.34 -0.79 -0.12 0.00 -1.05 0.00 0.00 32.46 31.84 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 -0.81 0.29 -0.17 2.89 -0.21 -1.26 -2.23 119.66 118.16 2edr s GLN 57 Ca 0.45 -0.48 -0.04 0.00 0.02 0.00 0.00 55.36 55.30 2edr s GLN 57 Cb -0.39 -0.02 0.07 0.00 1.00 0.00 0.00 33.01 33.67 2edr s GLN 57 CO 0.53 -0.01 0.14 0.34 -2.12 0.00 0.00 175.29 174.17 2edr s ASP 58 N -1.10 1.82 1.05 5.90 -1.08 0.49 -5.02 116.67 118.73 2edr s ASP 58 Ca -0.10 -0.37 0.00 0.00 -0.52 0.00 0.00 52.55 51.56 2edr s ASP 58 Cb -0.07 0.03 0.00 0.00 -1.46 0.00 0.00 42.92 41.42 2edr s ASP 58 CO -0.00 -0.33 0.00 0.61 0.52 0.00 0.00 175.17 175.97 2edr n GLY 59 N 5.30 0.96 0.83 2.66 0.00 -1.26 0.09 105.19 113.76 2edr n GLY 59 Ca -0.06 0.59 0.02 0.00 0.00 0.00 0.00 46.02 46.57 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 8.56 3.60 -3.56 4.61 0.00 -1.26 -3.53 120.51 128.94 2edr n ALA 60 Ca 0.00 -2.92 -0.24 0.00 0.00 0.00 0.00 53.44 50.28 2edr n ALA 60 Cb 0.00 -0.61 -0.17 0.00 0.00 0.00 0.00 19.45 18.68 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 -3.10 0.95 0.32 0.00 1.01 0.11 -0.11 120.40 119.58 2edr s VAL 61 Ca 0.41 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.11 2edr s VAL 61 Cb 0.37 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 2edr s VAL 61 CO 0.01 0.32 0.20 0.00 0.00 0.00 0.00 175.10 175.63 2edr s GLU 63 N -3.90 0.45 -0.21 0.00 2.02 -0.95 -2.02 118.70 114.09 2edr s GLU 63 Ca 0.38 1.00 -0.04 0.00 0.02 0.00 0.00 54.97 56.33 2edr s GLU 63 Cb -0.05 0.20 -0.02 0.00 0.10 0.00 0.00 34.13 34.36 2edr s GLU 63 CO 0.24 -0.19 -0.03 -1.17 0.02 0.00 0.00 175.26 174.14 2edr s LEU 64 N 1.94 3.04 -0.06 1.80 2.96 -0.92 -2.97 118.68 124.47 2edr s LEU 64 Ca -0.07 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2edr s LEU 64 Cb -0.09 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2edr s LEU 64 CO -0.15 0.01 0.03 -1.58 -1.32 0.00 0.00 176.35 173.35 2edr s GLN 65 N 1.28 3.01 -0.09 1.98 0.74 0.13 -0.18 119.66 126.53 2edr s GLN 65 Ca 0.04 -0.43 -0.03 0.00 0.05 0.00 0.00 55.36 54.99 2edr s GLN 65 Cb -0.14 -2.82 0.04 0.00 1.10 0.00 0.00 33.01 31.18 2edr s GLN 65 CO -0.01 0.69 0.07 0.42 -0.55 0.00 0.00 175.29 175.91 2edr s ILE 66 N -0.99 -0.06 0.63 -2.34 1.01 -0.97 -2.63 121.20 115.85 2edr s ILE 66 Ca 0.16 0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.96 2edr s ILE 66 Cb -0.12 -0.34 0.04 0.00 0.01 0.00 0.00 42.46 42.06 2edr s ILE 66 CO 0.06 0.02 0.91 0.00 0.00 0.00 0.00 174.94 175.93 2edr n GLY 68 N -2.65 -0.86 3.69 0.00 0.00 -1.23 -4.91 105.19 99.23 2edr n GLY 68 Ca 0.07 0.40 -0.32 0.00 0.00 0.00 0.00 46.02 46.17 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 -6.46 3.03 -0.20 0.99 1.43 -0.20 -4.72 118.68 112.55 2edr s LEU 69 Ca 0.38 2.27 -0.16 0.00 -1.03 0.00 0.00 54.13 55.58 2edr s LEU 69 Cb -0.13 -4.58 0.05 0.00 0.03 0.00 0.00 46.19 41.57 2edr s LEU 69 CO 0.85 -2.77 0.51 0.00 0.23 0.00 0.00 176.35 175.17 2edr s ALA 70 N -2.38 -1.28 0.60 4.21 0.00 -1.26 -0.39 121.76 121.26 2edr s ALA 70 Ca 0.70 1.53 0.28 0.00 0.00 0.00 0.00 51.96 54.48 2edr s ALA 70 Cb -0.26 -0.90 1.28 0.00 0.00 0.00 0.00 23.12 23.24 2edr s ALA 70 CO 0.53 -0.26 1.67 0.28 0.00 0.00 0.00 175.76 177.98 2edr h VAL 71 N 4.56 0.21 -0.01 0.00 2.07 -1.90 0.99 116.25 122.17 2edr h VAL 71 Ca -0.29 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.04 2edr h VAL 71 Cb 1.18 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2edr h VAL 71 CO 0.20 0.00 -0.84 0.00 0.02 0.00 0.00 177.57 176.94 2edr h ALA 72 N 1.10 0.56 0.00 1.67 0.00 -1.97 -3.13 119.26 117.48 2edr h ALA 72 Ca 0.32 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2edr h ALA 72 Cb 1.85 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 2edr h ALA 72 CO -0.00 0.89 -0.09 -0.44 0.00 0.00 0.00 179.25 179.61 2edr h ASP 73 N 0.12 0.00 -3.43 0.00 3.32 0.63 -3.43 116.42 113.62 2edr h ASP 73 Ca -0.04 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.45 2edr h ASP 73 Cb 1.45 0.00 0.12 0.00 0.22 0.00 0.00 39.33 41.12 2edr h ASP 73 CO 0.13 0.09 0.48 0.00 -1.72 0.00 0.00 179.24 178.21 2edr n ALA 74 N -2.47 1.23 0.00 3.45 0.00 -1.19 -4.70 120.51 116.83 2edr n ALA 74 Ca -0.03 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2edr n ALA 74 Cb 0.17 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.36 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 0.82 -1.73 3.43 0.00 0.00 -0.99 -5.00 105.19 101.72 2edr n GLY 75 Ca 0.06 0.66 0.01 0.00 0.00 0.00 0.00 46.02 46.75 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 0.33 -0.12 1.61 2.12 -1.26 -3.74 118.70 117.64 2edr s GLU 76 Ca 0.00 0.82 -0.03 0.00 0.36 0.00 0.00 54.97 56.13 2edr s GLU 76 Cb 0.00 0.50 -0.03 0.00 0.26 0.00 0.00 34.13 34.85 2edr s GLU 76 CO 0.00 -0.11 -0.02 0.71 -0.54 0.00 0.00 175.26 175.30 2edr s TYR 77 N 2.50 3.08 0.12 5.30 1.51 -0.81 -1.28 117.35 127.77 2edr s TYR 77 Ca -0.03 -0.06 0.10 0.00 -1.01 0.00 0.00 57.07 56.07 2edr s TYR 77 Cb -0.07 -1.88 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 2edr s TYR 77 CO -0.18 0.20 -0.22 -1.12 -1.11 0.00 0.00 175.55 173.12 2edr s SER 78 N -0.19 3.65 -0.25 2.29 0.01 -0.46 -0.26 113.70 118.49 2edr s SER 78 Ca 0.04 -0.63 0.02 0.00 1.31 0.00 0.00 55.95 56.69 2edr s SER 78 Cb -0.13 -0.42 0.06 0.00 0.21 0.00 0.00 66.02 65.75 2edr s SER 78 CO 0.02 0.18 -0.08 0.00 0.41 0.00 0.00 173.24 173.77 2edr s VAL 80 N 1.26 5.26 -0.07 0.00 1.01 -0.34 -2.74 120.40 124.79 2edr s VAL 80 Ca -0.07 0.57 0.02 0.00 0.00 0.00 0.00 61.98 62.49 2edr s VAL 80 Cb -0.19 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 2edr s VAL 80 CO -0.06 0.51 -0.04 0.00 0.00 0.00 0.00 175.10 175.51 2edr n GLY 82 N 3.04 -2.00 0.06 0.00 0.00 -1.26 -4.74 105.19 100.28 2edr n GLY 82 Ca -0.12 0.67 -0.09 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.89 0.65 -4.09 1.61 1.02 -1.26 -5.02 120.64 111.65 2edr n GLU 83 Ca 0.00 0.06 -0.28 0.00 -0.02 0.00 0.00 57.16 56.93 2edr n GLU 83 Cb 0.00 -1.27 -0.06 0.00 -0.02 0.00 0.00 31.44 30.09 2edr n GLU 83 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2edr s GLU 84 N -2.26 2.82 -0.07 3.49 0.41 -1.26 -5.13 118.70 116.69 2edr s GLU 84 Ca -0.16 -0.84 -0.11 0.00 -0.41 0.00 0.00 54.97 53.45 2edr s GLU 84 Cb 0.04 -2.63 0.02 0.00 -1.78 0.00 0.00 34.13 29.79 2edr s GLU 84 CO 0.33 0.51 0.29 0.50 -0.49 0.00 0.00 175.26 176.39 2edr s ARG 85 N -2.81 0.45 0.46 1.61 3.52 -1.26 -3.25 118.95 117.66 2edr s ARG 85 Ca 0.30 0.17 0.06 0.00 -0.13 0.00 0.00 55.73 56.13 2edr s ARG 85 Cb -0.11 0.21 -0.02 0.00 -1.56 0.00 0.00 34.95 33.47 2edr s ARG 85 CO 0.22 -0.09 0.24 -0.08 -0.81 0.00 0.00 175.30 174.78 2edr s THR 86 N -0.39 2.04 -0.00 4.11 -1.32 -1.11 -4.93 115.64 114.04 2edr s THR 86 Ca -0.05 -1.64 -0.10 0.00 -1.21 0.00 0.00 61.69 58.69 2edr s THR 86 Cb -0.03 -2.68 0.01 0.00 -1.51 0.00 0.00 72.50 68.28 2edr s THR 86 CO 0.02 0.00 0.19 -0.94 -2.21 0.00 0.00 174.62 171.68 2edr s SER 87 N -4.02 -0.04 -0.09 8.08 1.04 -1.26 -1.19 113.70 116.21 2edr s SER 87 Ca 0.36 -0.11 -0.04 0.00 0.48 0.00 0.00 55.95 56.64 2edr s SER 87 Cb 0.01 0.24 0.05 0.00 0.10 0.00 0.00 66.02 66.42 2edr s SER 87 CO 0.21 -0.40 0.18 0.00 0.98 0.00 0.00 173.24 174.21 2edr s ALA 88 N -1.37 -0.25 -0.17 5.32 0.00 0.64 -4.58 121.76 121.34 2edr s ALA 88 Ca -0.14 0.65 -0.29 0.00 0.00 0.00 0.00 51.96 52.17 2edr s ALA 88 Cb -0.07 -0.85 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 2edr s ALA 88 CO 0.02 -0.56 1.65 0.99 0.00 0.00 0.00 175.76 177.86 2edr s THR 89 N 2.28 3.64 -0.33 0.00 2.01 -1.26 -1.93 115.64 120.04 2edr s THR 89 Ca 0.02 0.73 -0.18 0.00 0.31 0.00 0.00 61.69 62.57 2edr s THR 89 Cb -0.12 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 2edr s THR 89 CO -0.06 -0.22 0.51 -0.22 -0.69 0.00 0.00 174.62 173.94 2edr s LEU 90 N 5.03 4.29 -0.23 4.42 2.96 -1.25 -3.00 118.68 130.91 2edr s LEU 90 Ca 0.73 0.06 -0.11 0.00 -0.22 0.00 0.00 54.13 54.60 2edr s LEU 90 Cb -0.28 -2.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.77 2edr s LEU 90 CO 0.29 -0.44 0.18 -0.89 -1.32 0.00 0.00 176.35 174.16 2edr s THR 91 N 2.38 5.36 -0.02 3.68 2.01 -0.28 -2.34 115.64 126.42 2edr s THR 91 Ca 0.19 0.23 0.00 0.00 0.31 0.00 0.00 61.69 62.42 2edr s THR 91 Cb -0.15 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 2edr s THR 91 CO 0.13 0.36 0.04 -0.69 -0.69 0.00 0.00 174.62 173.76 2edr s VAL 92 N 0.93 4.46 0.29 3.82 1.01 -1.26 0.79 120.40 130.46 2edr s VAL 92 Ca 0.09 -0.45 0.10 0.00 0.00 0.00 0.00 61.98 61.71 2edr s VAL 92 Cb -0.13 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 2edr s VAL 92 CO 0.03 0.40 -0.02 -0.54 0.00 0.00 0.00 175.10 174.97 2edr s LYS 93 N -1.55 2.15 -0.49 2.72 -0.14 0.06 -4.88 119.74 117.61 2edr s LYS 93 Ca 0.20 -1.57 -0.21 0.00 -1.36 0.00 0.00 55.97 53.03 2edr s LYS 93 Cb -0.12 -2.04 0.04 0.00 -1.68 0.00 0.00 37.83 34.03 2edr s LYS 93 CO 0.11 0.28 0.72 0.00 -0.76 0.00 0.00 175.35 175.70 2edr s ALA 94 N -2.41 3.31 0.40 5.17 0.00 -1.26 0.12 121.76 127.09 2edr s ALA 94 Ca 0.32 -1.38 -0.26 0.00 0.00 0.00 0.00 51.96 50.65 2edr s ALA 94 Cb -0.04 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.54 2edr s ALA 94 CO 0.19 -2.01 1.16 1.47 0.00 0.00 0.00 175.76 176.57 2edr n LEU 95 N 6.54 3.25 -4.58 0.00 -0.00 -1.26 -4.82 117.00 116.13 2edr n LEU 95 Ca -0.02 1.10 -0.28 0.00 -0.00 0.00 0.00 56.01 56.81 2edr n LEU 95 Cb 0.47 -1.43 -0.06 0.00 -0.00 0.00 0.00 43.42 42.40 2edr n LEU 95 CO 0.56 -0.99 1.48 -2.16 -0.00 0.00 0.00 177.39 176.28 2edr s PRO 96 N -2.03 2.50 0.73 1.47 0.04 -1.26 -4.95 135.00 131.50 2edr s PRO 96 Ca 0.61 -1.04 -0.13 0.00 0.04 0.00 0.00 61.00 60.48 2edr s PRO 96 Cb -0.55 -5.22 0.04 0.00 0.04 0.00 0.00 34.50 28.81 2edr s PRO 96 CO 0.58 -3.90 1.11 -1.54 0.04 0.00 0.00 177.00 173.30 2edr s SER 97 N 6.71 4.65 0.00 6.66 1.04 -1.26 -4.93 113.70 126.57 2edr s SER 97 Ca 0.69 1.95 0.00 0.00 0.48 0.00 0.00 55.95 59.06 2edr s SER 97 Cb -0.02 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2edr s SER 97 CO 0.11 -1.94 0.00 0.61 0.98 0.00 0.00 173.24 173.00 2edr n GLY 98 N -0.75 2.85 0.23 7.32 0.00 -1.26 -4.83 105.19 108.75 2edr n GLY 98 Ca 0.10 -1.35 -0.09 0.00 0.00 0.00 0.00 46.02 44.68 2edr n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edr h PRO 99 N 0.00 0.63 -0.65 1.61 0.13 -2.03 -3.19 132.00 128.49 2edr h PRO 99 Ca 0.00 -0.33 0.12 0.00 -0.87 0.00 0.00 66.00 64.92 2edr h PRO 99 Cb 0.00 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.05 2edr h PRO 99 CO 0.00 0.93 0.18 0.77 -0.23 0.00 0.00 178.00 179.65 2edr h SER 100 N 0.51 0.08 -2.55 1.44 0.02 -1.99 -3.40 113.55 107.66 2edr h SER 100 Ca 0.04 0.11 -0.56 0.00 -0.84 0.00 0.00 61.79 60.55 2edr h SER 100 Cb 0.94 0.14 0.06 0.00 0.14 0.00 0.00 62.40 63.69 2edr h SER 100 CO 0.09 0.03 0.87 -1.20 -1.14 0.00 0.00 176.83 175.47 2edr n SER 101 N -5.10 3.47 0.00 3.07 7.64 -1.21 -5.26 113.62 116.24 2edr n SER 101 Ca 0.11 1.09 0.00 0.00 1.01 0.00 0.00 58.87 61.07 2edr n SER 101 Cb 0.36 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.06 2edr n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64