#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 6.33 -2.63 1.61 2.88 -1.26 -4.87 113.62 115.68 2edr n SER 2 Ca 0.00 -3.77 -0.15 0.00 -1.33 0.00 0.00 58.87 53.61 2edr n SER 2 Cb 0.00 -0.68 0.06 0.00 -0.75 0.00 0.00 64.21 62.84 2edr n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2edr n SER 3 N -0.78 -4.35 -2.22 -3.46 2.88 -1.26 -4.90 113.62 99.53 2edr n SER 3 Ca 0.53 -0.38 -0.02 0.00 -1.33 0.00 0.00 58.87 57.67 2edr n SER 3 Cb 0.76 -3.61 -0.02 0.00 -0.75 0.00 0.00 64.21 60.59 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 -1.44 -0.92 3.75 0.46 0.00 -1.26 -5.17 105.19 100.62 2edr n GLY 4 Ca -0.04 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 2edr n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2edr s SER 5 N -0.06 4.31 0.43 1.61 1.04 -1.26 -5.14 113.70 114.63 2edr s SER 5 Ca 0.01 -1.27 0.07 0.00 0.48 0.00 0.00 55.95 55.24 2edr s SER 5 Cb 0.02 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.01 2edr s SER 5 CO -0.01 -0.68 0.36 -0.55 0.98 0.00 0.00 173.24 173.34 2edr s SER 6 N -3.93 4.91 0.02 7.02 0.15 -1.26 -5.11 113.70 115.50 2edr s SER 6 Ca 0.32 -0.85 -0.01 0.00 0.70 0.00 0.00 55.95 56.10 2edr s SER 6 Cb 0.03 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.90 2edr s SER 6 CO 0.18 -0.69 0.06 0.61 1.20 0.00 0.00 173.24 174.60 2edr n GLY 7 N -1.53 1.71 1.82 9.45 0.00 -1.26 -5.15 105.19 110.24 2edr n GLY 7 Ca 0.03 -1.00 -0.16 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.04 -2.13 -2.13 1.61 -0.04 -1.26 -4.94 135.00 126.07 2edr n PRO 8 Ca -0.00 -0.91 -0.42 0.00 -0.04 0.00 0.00 63.50 62.12 2edr n PRO 8 Cb 0.04 -0.85 -0.03 0.00 -0.04 0.00 0.00 33.50 32.62 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 -3.00 3.62 -0.34 0.55 0.00 -1.26 -4.97 121.76 116.36 2edr s ALA 9 Ca 0.37 0.89 -0.23 0.00 0.00 0.00 0.00 51.96 52.99 2edr s ALA 9 Cb -0.04 -3.67 0.01 0.00 0.00 0.00 0.00 23.12 19.42 2edr s ALA 9 CO 0.28 -1.15 0.79 -3.38 0.00 0.00 0.00 175.76 172.30 2edr s HIS 10 N 3.16 3.14 -0.38 0.00 -3.43 -1.26 -4.65 115.29 111.87 2edr s HIS 10 Ca 0.67 0.64 -0.39 0.00 -0.80 0.00 0.00 55.06 55.19 2edr s HIS 10 Cb -0.32 -3.34 -0.14 0.00 -1.43 0.00 0.00 32.58 27.35 2edr s HIS 10 CO 0.27 -0.68 2.10 1.19 -2.00 0.00 0.00 174.74 175.62 2edr n PHE 11 N 6.35 1.55 -0.04 0.38 3.72 -1.26 -2.70 117.46 125.46 2edr n PHE 11 Ca 0.03 0.46 -0.09 0.00 -0.05 0.00 0.00 57.45 57.81 2edr n PHE 11 Cb 0.48 -2.45 -0.14 0.00 -0.94 0.00 0.00 39.48 36.43 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 6.58 1.57 -3.87 4.37 -5.35 -1.25 -4.68 119.36 116.74 2edr n ILE 12 Ca 0.43 -0.81 -0.29 0.00 -0.27 0.00 0.00 62.75 61.81 2edr n ILE 12 Cb 0.13 -0.95 -0.13 0.00 -1.74 0.00 0.00 39.64 36.96 2edr n ILE 12 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2edr s GLY 13 N -5.18 2.35 0.56 3.28 0.00 -1.26 -5.03 107.32 102.05 2edr s GLY 13 Ca -0.06 -3.24 -0.20 0.00 0.00 0.00 0.00 44.72 41.23 2edr s GLY 13 CO 0.82 1.18 0.97 0.54 0.00 0.00 0.00 173.10 176.62 2edr n ARG 14 N 2.92 1.01 -0.51 2.90 1.74 -1.26 -2.93 116.66 120.53 2edr n ARG 14 Ca 0.10 0.38 -0.18 0.00 -0.77 0.00 0.00 57.85 57.39 2edr n ARG 14 Cb 0.34 -2.15 0.15 0.00 -1.02 0.00 0.00 32.46 29.78 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 -0.47 -1.28 -3.63 0.55 4.77 -1.26 -4.91 117.00 110.76 2edr n LEU 15 Ca 0.12 -0.41 -0.20 0.00 -0.03 0.00 0.00 56.01 55.50 2edr n LEU 15 Cb 0.46 -0.77 -0.16 0.00 -2.33 0.00 0.00 43.42 40.61 2edr n LEU 15 CO 0.51 -3.31 -0.28 0.00 -1.33 0.00 0.00 177.39 172.98 2edr s ARG 16 N -3.53 0.03 -0.46 3.23 1.70 -1.26 -4.89 118.95 113.78 2edr s ARG 16 Ca 0.37 0.31 -0.41 0.00 -0.47 0.00 0.00 55.73 55.53 2edr s ARG 16 Cb -0.06 -0.83 -0.18 0.00 -0.57 0.00 0.00 34.95 33.31 2edr s ARG 16 CO 0.33 -0.45 1.77 -2.39 -1.08 0.00 0.00 175.30 173.48 2edr n HIS 17 N 5.31 1.26 -4.52 5.89 -0.00 -1.26 -4.88 115.22 117.02 2edr n HIS 17 Ca -0.05 0.83 -0.30 0.00 -0.00 0.00 0.00 57.72 58.20 2edr n HIS 17 Cb 0.50 -2.07 -0.12 0.00 -0.00 0.00 0.00 29.99 28.29 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 4.46 1.89 -0.15 -1.40 -2.07 -1.15 -4.96 119.66 116.28 2edr s GLN 18 Ca 1.04 -1.10 -0.01 0.00 -1.82 0.00 0.00 55.36 53.48 2edr s GLN 18 Cb -1.37 -2.12 -0.02 0.00 -1.09 0.00 0.00 33.01 28.41 2edr s GLN 18 CO 0.66 0.51 -0.11 -2.00 -1.32 0.00 0.00 175.29 173.03 2edr s GLU 19 N -1.75 3.43 0.49 9.60 -6.30 -1.26 -1.74 118.70 121.17 2edr s GLU 19 Ca 0.16 -0.65 0.02 0.00 -2.50 0.00 0.00 54.97 52.00 2edr s GLU 19 Cb -0.10 -2.72 -0.02 0.00 0.00 0.00 0.00 34.13 31.28 2edr s GLU 19 CO 0.07 0.16 0.01 -1.12 0.02 0.00 0.00 175.26 174.40 2edr s SER 20 N 0.50 4.06 -0.03 -1.70 0.01 0.13 -4.95 113.70 111.72 2edr s SER 20 Ca -0.08 -1.61 0.03 0.00 1.31 0.00 0.00 55.95 55.61 2edr s SER 20 Cb -0.15 0.36 -0.03 0.00 0.21 0.00 0.00 66.02 66.41 2edr s SER 20 CO 0.04 -0.78 -0.12 -0.63 0.41 0.00 0.00 173.24 172.16 2edr s ILE 21 N -2.86 3.29 0.25 1.44 -1.09 -1.26 -1.04 121.20 119.93 2edr s ILE 21 Ca 0.11 -0.76 -0.29 0.00 -2.23 0.00 0.00 60.65 57.48 2edr s ILE 21 Cb 0.03 -2.35 -0.15 0.00 -1.58 0.00 0.00 42.46 38.42 2edr s ILE 21 CO 0.06 0.51 1.04 1.21 -1.23 0.00 0.00 174.94 176.52 2edr n GLU 22 N 2.00 1.25 0.00 2.79 4.07 0.16 -0.50 120.64 130.41 2edr n GLU 22 Ca -0.17 0.44 0.00 0.00 -0.06 0.00 0.00 57.16 57.37 2edr n GLU 22 Cb 0.52 -1.83 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 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 1.51 2.73 3.68 8.31 0.00 -1.18 -4.52 105.19 115.72 2edr n GLY 23 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.65 1.07 -0.52 4.61 0.00 0.35 -4.04 121.76 122.58 2edr s ALA 24 Ca 0.00 -0.20 -0.14 0.00 0.00 0.00 0.00 51.96 51.62 2edr s ALA 24 Cb 0.00 -3.17 0.13 0.00 0.00 0.00 0.00 23.12 20.08 2edr s ALA 24 CO 0.00 -2.74 0.45 0.99 0.00 0.00 0.00 175.76 174.46 2edr s THR 25 N -2.90 4.92 0.63 0.00 2.01 -1.26 -1.93 115.64 117.12 2edr s THR 25 Ca 0.65 -1.57 -0.18 0.00 0.31 0.00 0.00 61.69 60.90 2edr s THR 25 Cb -0.19 -4.17 -0.01 0.00 0.01 0.00 0.00 72.50 68.13 2edr s THR 25 CO 0.58 -0.84 1.21 0.00 -0.69 0.00 0.00 174.62 174.89 2edr s ALA 26 N 1.53 2.43 -0.26 7.40 0.00 -0.20 -4.81 121.76 127.85 2edr s ALA 26 Ca 0.04 0.98 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 2edr s ALA 26 Cb -0.29 -3.46 0.14 0.00 0.00 0.00 0.00 23.12 19.51 2edr s ALA 26 CO 0.02 -1.38 0.38 0.99 0.00 0.00 0.00 175.76 175.77 2edr s THR 27 N -1.70 -0.59 0.58 0.00 2.01 -1.25 -0.90 115.64 113.79 2edr s THR 27 Ca 0.77 -0.17 -0.01 0.00 0.31 0.00 0.00 61.69 62.59 2edr s THR 27 Cb -0.30 -0.88 0.04 0.00 0.01 0.00 0.00 72.50 71.37 2edr s THR 27 CO 0.37 -0.20 0.83 -0.76 -0.69 0.00 0.00 174.62 174.17 2edr s LEU 28 N 2.53 3.18 -0.27 4.42 1.43 -0.11 -4.91 118.68 124.94 2edr s LEU 28 Ca 0.11 0.11 -0.24 0.00 -1.03 0.00 0.00 54.13 53.09 2edr s LEU 28 Cb -0.14 -2.94 0.08 0.00 0.03 0.00 0.00 46.19 43.21 2edr s LEU 28 CO -0.21 -1.24 0.74 -0.60 0.23 0.00 0.00 176.35 175.27 2edr s ARG 29 N -4.87 0.80 0.18 1.70 3.52 -1.26 -2.67 118.95 116.35 2edr s ARG 29 Ca 0.58 1.00 0.03 0.00 -0.13 0.00 0.00 55.73 57.21 2edr s ARG 29 Cb -0.10 0.36 -0.01 0.00 -1.56 0.00 0.00 34.95 33.64 2edr s ARG 29 CO 0.40 -0.10 0.17 0.00 -0.81 0.00 0.00 175.30 174.96 2edr s GLU 31 N -2.66 1.26 0.06 0.00 2.12 -1.15 -3.23 118.70 115.09 2edr s GLU 31 Ca 0.20 -1.62 -0.07 0.00 0.36 0.00 0.00 54.97 53.84 2edr s GLU 31 Cb 0.01 -0.52 -0.01 0.00 0.26 0.00 0.00 34.13 33.87 2edr s GLU 31 CO 0.14 -0.09 0.14 -0.51 -0.54 0.00 0.00 175.26 174.40 2edr s LEU 32 N -3.26 1.65 0.64 2.70 1.43 -0.69 -3.89 118.68 117.26 2edr s LEU 32 Ca 0.26 -0.60 0.42 0.00 -1.03 0.00 0.00 54.13 53.18 2edr s LEU 32 Cb 0.05 0.79 2.22 0.00 0.03 0.00 0.00 46.19 49.29 2edr s LEU 32 CO 0.07 -0.61 2.31 -1.28 0.23 0.00 0.00 176.35 177.06 2edr h SER 33 N 3.20 0.00 -2.83 2.29 0.87 -1.78 -3.44 113.55 111.86 2edr h SER 33 Ca -0.33 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.38 2edr h SER 33 Cb 1.19 0.00 -0.29 0.00 -0.44 0.00 0.00 62.40 62.85 2edr h SER 33 CO 0.54 0.00 0.75 -1.59 -0.53 0.00 0.00 176.83 176.00 2edr s LYS 34 N -4.14 0.24 -0.45 2.24 -2.85 -1.26 -4.94 119.74 108.58 2edr s LYS 34 Ca -0.04 0.20 -0.40 0.00 -1.00 0.00 0.00 55.97 54.72 2edr s LYS 34 Cb 0.13 0.11 -0.17 0.00 -2.06 0.00 0.00 37.83 35.84 2edr s LYS 34 CO 0.45 -0.04 1.79 0.00 0.10 0.00 0.00 175.35 177.65 2edr n ALA 35 N 1.44 -0.21 -3.28 0.59 0.00 -1.26 -4.59 120.51 113.21 2edr n ALA 35 Ca -0.09 0.25 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 2edr n ALA 35 Cb 0.57 -1.84 -0.07 0.00 0.00 0.00 0.00 19.45 18.12 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 4.65 -1.15 0.32 0.00 0.00 -1.26 -4.83 121.76 119.49 2edr s ALA 36 Ca 1.05 0.57 -0.28 0.00 0.00 0.00 0.00 51.96 53.29 2edr s ALA 36 Cb -1.35 0.20 -0.10 0.00 0.00 0.00 0.00 23.12 21.87 2edr s ALA 36 CO 0.64 -0.39 1.22 -1.25 0.00 0.00 0.00 175.76 175.98 2edr s PRO 37 N -1.86 4.41 0.27 0.00 0.04 -1.26 -4.91 135.00 131.69 2edr s PRO 37 Ca -0.09 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.01 2edr s PRO 37 Cb -0.02 -3.06 -0.06 0.00 0.04 0.00 0.00 34.50 31.41 2edr s PRO 37 CO 0.02 -0.08 0.05 0.14 0.04 0.00 0.00 177.00 177.17 2edr s VAL 38 N -1.18 0.95 -0.24 -0.36 -7.23 -1.26 -4.59 120.40 106.48 2edr s VAL 38 Ca 0.48 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.61 2edr s VAL 38 Cb -0.36 -2.58 0.08 0.00 0.56 0.00 0.00 36.38 34.07 2edr s VAL 38 CO 0.47 -0.12 0.08 -0.70 -0.31 0.00 0.00 175.10 174.52 2edr s GLU 39 N -3.92 0.50 0.42 4.82 2.56 0.14 -4.94 118.70 118.29 2edr s GLU 39 Ca 0.34 -0.59 -0.24 0.00 0.00 0.00 0.00 54.97 54.48 2edr s GLU 39 Cb 0.07 -1.84 -0.08 0.00 2.00 0.00 0.00 34.13 34.29 2edr s GLU 39 CO 0.12 -0.82 1.16 -1.58 -0.56 0.00 0.00 175.26 173.58 2edr s TRP 40 N 1.88 3.01 -0.06 5.30 0.52 -1.26 -2.03 118.94 126.29 2edr s TRP 40 Ca 0.04 1.55 0.00 0.00 0.02 0.00 0.00 56.10 57.72 2edr s TRP 40 Cb -0.17 -3.38 0.02 0.00 -1.15 0.00 0.00 33.47 28.80 2edr s TRP 40 CO -0.19 -1.36 -0.04 1.03 0.02 0.00 0.00 176.95 176.41 2edr s ARG 41 N -2.46 0.85 -1.15 4.98 0.52 0.11 0.11 118.95 121.93 2edr s ARG 41 Ca 0.59 -0.06 -0.11 0.00 -0.52 0.00 0.00 55.73 55.63 2edr s ARG 41 Cb -0.29 -0.97 0.23 0.00 0.52 0.00 0.00 34.95 34.43 2edr s ARG 41 CO 0.37 -0.17 1.25 0.21 0.02 0.00 0.00 175.30 176.98 2edr s LYS 42 N 1.32 4.14 -0.12 3.54 2.20 -1.19 -0.91 119.74 128.72 2edr s LYS 42 Ca -0.05 -2.92 -0.09 0.00 -0.36 0.00 0.00 55.97 52.56 2edr s LYS 42 Cb -0.14 -4.78 0.03 0.00 -1.51 0.00 0.00 37.83 31.44 2edr s LYS 42 CO -0.02 -1.48 0.17 0.41 -0.36 0.00 0.00 175.35 174.07 2edr n GLY 43 N 3.36 -4.02 2.87 5.54 0.00 -0.70 -3.57 105.19 108.68 2edr n GLY 43 Ca 0.29 1.26 -0.13 0.00 0.00 0.00 0.00 46.02 47.44 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 1.93 -2.66 -4.27 1.61 1.85 -1.26 -4.89 116.66 108.97 2edr n ARG 44 Ca -0.29 0.29 -0.15 0.00 -1.00 0.00 0.00 57.85 56.71 2edr n ARG 44 Cb 0.45 -4.88 -0.10 0.00 -1.05 0.00 0.00 32.46 26.88 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 -5.45 1.28 -0.11 2.89 2.56 -1.23 -5.16 118.70 113.48 2edr s GLU 45 Ca 0.17 -1.67 0.03 0.00 0.00 0.00 0.00 54.97 53.50 2edr s GLU 45 Cb -0.09 -0.15 0.01 0.00 2.00 0.00 0.00 34.13 35.89 2edr s GLU 45 CO 0.21 -0.27 -0.19 0.45 -0.56 0.00 0.00 175.26 174.90 2edr s SER 46 N -3.24 2.75 0.13 -1.70 0.15 -1.26 -3.17 113.70 107.36 2edr s SER 46 Ca 0.34 -0.50 0.03 0.00 0.70 0.00 0.00 55.95 56.51 2edr s SER 46 Cb 0.07 -1.26 -0.04 0.00 -1.71 0.00 0.00 66.02 63.09 2edr s SER 46 CO 0.10 0.07 0.19 -0.76 1.20 0.00 0.00 173.24 174.05 2edr s LEU 47 N 0.74 4.08 0.08 3.45 1.02 0.12 -4.87 118.68 123.29 2edr s LEU 47 Ca -0.11 0.06 -0.13 0.00 0.02 0.00 0.00 54.13 53.98 2edr s LEU 47 Cb -0.16 -2.69 0.02 0.00 0.02 0.00 0.00 46.19 43.38 2edr s LEU 47 CO 0.01 0.10 0.29 -0.13 0.02 0.00 0.00 176.35 176.64 2edr s ARG 48 N -2.94 0.88 -0.12 1.70 0.52 -1.26 -4.38 118.95 113.35 2edr s ARG 48 Ca 0.33 -0.70 -0.29 0.00 -0.52 0.00 0.00 55.73 54.54 2edr s ARG 48 Cb -0.11 0.38 -0.04 0.00 0.52 0.00 0.00 34.95 35.70 2edr s ARG 48 CO 0.26 -0.30 1.54 0.16 0.02 0.00 0.00 175.30 176.98 2edr s ASP 49 N -2.50 6.68 0.00 0.23 1.47 -1.26 -4.73 116.67 116.55 2edr s ASP 49 Ca 0.00 1.97 0.00 0.00 1.18 0.00 0.00 52.55 55.70 2edr s ASP 49 Cb 0.02 -2.53 0.00 0.00 -0.34 0.00 0.00 42.92 40.06 2edr s ASP 49 CO -0.08 -0.95 0.00 0.61 0.68 0.00 0.00 175.17 175.43 2edr n GLY 50 N 4.11 4.99 0.00 2.12 0.00 -0.78 -5.02 105.19 110.60 2edr n GLY 50 Ca 0.17 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.13 1.61 2.03 -1.26 -4.17 116.55 114.63 2edr n ASP 51 Ca 0.00 0.74 -0.26 0.00 0.52 0.00 0.00 54.79 55.79 2edr n ASP 51 Cb 0.00 -0.26 -0.09 0.00 -0.72 0.00 0.00 41.12 40.05 2edr n ASP 51 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2edr n ARG 52 N -2.07 0.58 -1.14 -0.67 5.12 -1.26 -4.90 116.66 112.31 2edr n ARG 52 Ca 0.00 0.26 -0.26 0.00 -1.93 0.00 0.00 57.85 55.92 2edr n ARG 52 Cb 0.00 -1.49 -0.14 0.00 -1.16 0.00 0.00 32.46 29.67 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 -4.29 0.27 -3.76 -1.55 8.25 -1.23 -4.82 115.22 108.09 2edr n HIS 53 Ca -0.47 0.19 -0.36 0.00 -0.26 0.00 0.00 57.72 56.81 2edr n HIS 53 Cb 0.82 -1.30 -0.11 0.00 1.12 0.00 0.00 29.99 30.52 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 4.40 5.74 -0.40 0.41 0.15 -0.82 -1.87 113.70 121.31 2edr s SER 54 Ca 1.02 0.01 0.05 0.00 0.70 0.00 0.00 55.95 57.73 2edr s SER 54 Cb -0.85 -2.03 0.47 0.00 -1.71 0.00 0.00 66.02 61.91 2edr s SER 54 CO 0.39 0.05 1.51 0.18 1.20 0.00 0.00 173.24 176.58 2edr n LEU 55 N 4.38 5.53 -4.42 3.45 7.99 -1.24 -0.52 117.00 132.16 2edr n LEU 55 Ca -0.15 -4.36 -0.35 0.00 -0.01 0.00 0.00 56.01 51.14 2edr n LEU 55 Cb 0.52 -0.61 0.09 0.00 -0.11 0.00 0.00 43.42 43.31 2edr n LEU 55 CO 0.34 1.70 -0.07 -2.11 -1.51 0.00 0.00 177.39 175.73 2edr n ARG 56 N -0.89 0.03 -4.31 3.23 1.85 -1.13 -4.52 116.66 110.92 2edr n ARG 56 Ca 0.47 0.05 -0.19 0.00 -1.00 0.00 0.00 57.85 57.18 2edr n ARG 56 Cb 0.91 -1.80 -0.09 0.00 -1.05 0.00 0.00 32.46 30.44 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 -3.10 1.68 -0.30 2.89 -0.21 -1.26 -0.81 119.66 118.56 2edr s GLN 57 Ca 0.60 -1.98 -0.05 0.00 0.02 0.00 0.00 55.36 53.96 2edr s GLN 57 Cb -0.28 0.12 0.19 0.00 1.00 0.00 0.00 33.01 34.04 2edr s GLN 57 CO 0.63 -0.56 0.84 0.34 -2.12 0.00 0.00 175.29 174.42 2edr s ASP 58 N -3.38 -0.94 -0.14 5.90 2.15 0.14 -4.95 116.67 115.45 2edr s ASP 58 Ca 0.37 0.33 -0.13 0.00 0.43 0.00 0.00 52.55 53.56 2edr s ASP 58 Cb 0.03 1.68 0.02 0.00 -0.30 0.00 0.00 42.92 44.36 2edr s ASP 58 CO 0.22 -0.17 0.21 0.61 -0.17 0.00 0.00 175.17 175.87 2edr n GLY 59 N 5.36 0.06 3.46 2.66 0.00 -1.26 -2.07 105.19 113.40 2edr n GLY 59 Ca 0.01 0.37 -0.18 0.00 0.00 0.00 0.00 46.02 46.22 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 0.40 -1.95 -3.47 4.61 0.00 -1.26 -4.71 120.51 114.12 2edr n ALA 60 Ca -0.03 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.27 2edr n ALA 60 Cb 0.36 -2.73 -0.09 0.00 0.00 0.00 0.00 19.45 16.99 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 -3.37 -0.00 0.07 0.00 1.01 -0.88 -1.71 120.40 115.53 2edr s VAL 61 Ca 0.06 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.12 2edr s VAL 61 Cb -0.03 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 2edr s VAL 61 CO 0.73 0.00 -0.18 0.00 0.00 0.00 0.00 175.10 175.65 2edr s GLU 63 N -1.57 0.01 -0.32 0.00 2.02 0.01 -1.57 118.70 117.29 2edr s GLU 63 Ca 0.04 0.41 -0.12 0.00 0.02 0.00 0.00 54.97 55.32 2edr s GLU 63 Cb -0.09 -0.58 -0.03 0.00 0.10 0.00 0.00 34.13 33.52 2edr s GLU 63 CO 0.03 -0.38 0.23 -1.17 0.02 0.00 0.00 175.26 173.99 2edr s LEU 64 N 2.24 4.31 -0.27 1.80 2.96 -1.09 -2.82 118.68 125.82 2edr s LEU 64 Ca 0.04 -0.23 -0.07 0.00 -0.22 0.00 0.00 54.13 53.65 2edr s LEU 64 Cb -0.13 -2.15 -0.01 0.00 0.50 0.00 0.00 46.19 44.40 2edr s LEU 64 CO -0.06 -0.17 0.07 -1.58 -1.32 0.00 0.00 176.35 173.29 2edr s GLN 65 N 1.77 3.44 -0.24 1.98 0.74 0.32 -0.93 119.66 126.73 2edr s GLN 65 Ca 0.07 -0.62 -0.01 0.00 0.05 0.00 0.00 55.36 54.85 2edr s GLN 65 Cb -0.17 -3.33 0.03 0.00 1.10 0.00 0.00 33.01 30.64 2edr s GLN 65 CO 0.11 -0.28 -0.09 0.42 -0.55 0.00 0.00 175.29 174.90 2edr s ILE 66 N 1.57 2.68 0.40 -2.34 1.01 -0.08 -1.94 121.20 122.49 2edr s ILE 66 Ca 0.05 -1.08 -0.05 0.00 0.00 0.00 0.00 60.65 59.57 2edr s ILE 66 Cb -0.16 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.92 2edr s ILE 66 CO 0.03 0.22 0.69 0.00 0.00 0.00 0.00 174.94 175.88 2edr n GLY 68 N -1.65 -0.25 3.14 0.00 0.00 -1.25 -4.97 105.19 100.21 2edr n GLY 68 Ca -0.00 0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.70 -2.10 -3.62 0.99 4.77 -0.81 -4.74 117.00 107.79 2edr n LEU 69 Ca -0.24 -0.20 -0.03 0.00 -0.03 0.00 0.00 56.01 55.50 2edr n LEU 69 Cb 0.64 -0.82 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 2edr n LEU 69 CO 0.52 -3.04 0.59 0.00 -1.33 0.00 0.00 177.39 174.14 2edr s ALA 70 N -2.14 -2.24 0.49 -1.18 0.00 -1.26 -3.13 121.76 112.30 2edr s ALA 70 Ca 0.46 2.24 0.42 0.00 0.00 0.00 0.00 51.96 55.07 2edr s ALA 70 Cb -0.06 -1.69 1.57 0.00 0.00 0.00 0.00 23.12 22.93 2edr s ALA 70 CO 0.54 -0.44 1.49 0.28 0.00 0.00 0.00 175.76 177.64 2edr n VAL 71 N 4.01 -0.10 -0.09 0.00 0.31 -1.26 0.23 118.33 121.43 2edr n VAL 71 Ca -0.18 1.55 -0.14 0.00 -0.01 0.00 0.00 64.34 65.56 2edr n VAL 71 Cb 0.57 -2.56 -0.04 0.00 -0.91 0.00 0.00 33.84 30.90 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 1.18 0.47 -0.80 3.52 0.00 -1.96 -3.02 119.26 118.65 2edr h ALA 72 Ca 0.88 -0.48 0.21 0.00 0.00 0.00 0.00 54.91 55.53 2edr h ALA 72 Cb 3.27 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 20.93 2edr h ALA 72 CO -0.18 0.62 0.56 -0.44 0.00 0.00 0.00 179.25 179.80 2edr h ASP 73 N 0.63 0.12 -2.76 0.00 5.19 0.25 -3.42 116.42 116.43 2edr h ASP 73 Ca 0.03 0.01 -0.59 0.00 -0.62 0.00 0.00 57.03 55.86 2edr h ASP 73 Cb 1.05 -0.01 0.11 0.00 0.18 0.00 0.00 39.33 40.66 2edr h ASP 73 CO 0.10 0.05 0.29 0.00 -3.12 0.00 0.00 179.24 176.57 2edr n ALA 74 N -2.64 0.37 0.00 3.45 0.00 -1.14 -4.71 120.51 115.84 2edr n ALA 74 Ca 0.16 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2edr n ALA 74 Cb 0.78 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 1.13 -1.64 3.27 0.00 0.00 -1.02 -5.00 105.19 101.92 2edr n GLY 75 Ca 0.08 0.70 0.03 0.00 0.00 0.00 0.00 46.02 46.84 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 0.47 -0.15 1.61 2.12 -1.26 -3.11 118.70 118.37 2edr s GLU 76 Ca 0.00 0.92 -0.08 0.00 0.36 0.00 0.00 54.97 56.17 2edr s GLU 76 Cb 0.00 0.53 -0.04 0.00 0.26 0.00 0.00 34.13 34.88 2edr s GLU 76 CO 0.00 -0.41 0.14 0.71 -0.54 0.00 0.00 175.26 175.16 2edr s TYR 77 N 2.84 3.53 0.06 5.30 1.51 -0.41 -1.72 117.35 128.46 2edr s TYR 77 Ca 0.09 0.46 0.09 0.00 -1.01 0.00 0.00 57.07 56.70 2edr s TYR 77 Cb -0.13 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.67 2edr s TYR 77 CO -0.18 0.57 -0.24 -1.12 -1.11 0.00 0.00 175.55 173.46 2edr s SER 78 N -0.51 2.93 -0.34 2.29 0.01 -0.08 -0.19 113.70 117.81 2edr s SER 78 Ca 0.13 -0.59 -0.00 0.00 1.31 0.00 0.00 55.95 56.79 2edr s SER 78 Cb -0.12 -0.25 0.08 0.00 0.21 0.00 0.00 66.02 65.95 2edr s SER 78 CO 0.02 0.21 0.07 0.00 0.41 0.00 0.00 173.24 173.94 2edr s VAL 80 N 1.13 4.58 0.00 0.00 1.01 -0.86 -2.95 120.40 123.31 2edr s VAL 80 Ca 0.02 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.40 2edr s VAL 80 Cb -0.21 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.19 2edr s VAL 80 CO -0.04 0.50 0.00 0.00 0.00 0.00 0.00 175.10 175.56 2edr n GLY 82 N 1.94 -1.18 0.11 0.00 0.00 -1.26 -4.77 105.19 100.03 2edr n GLY 82 Ca 0.00 0.70 0.01 0.00 0.00 0.00 0.00 46.02 46.72 2edr n GLY 82 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2edr h GLU 83 N 0.00 0.00 -6.07 1.61 4.39 -1.93 -3.47 114.58 109.11 2edr h GLU 83 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 2edr h GLU 83 Cb 0.00 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 2edr h GLU 83 CO 0.00 0.43 -0.31 -1.21 -1.16 0.00 0.00 179.01 176.76 2edr s GLU 84 N -2.93 2.33 -0.28 2.33 0.41 -1.26 -5.15 118.70 114.15 2edr s GLU 84 Ca 0.00 -1.85 -0.24 0.00 -0.41 0.00 0.00 54.97 52.48 2edr s GLU 84 Cb 0.08 -2.22 0.13 0.00 -1.78 0.00 0.00 34.13 30.34 2edr s GLU 84 CO 0.78 -0.51 1.05 0.50 -0.49 0.00 0.00 175.26 176.60 2edr s ARG 85 N -4.27 0.46 -0.03 1.61 3.52 -1.26 -3.62 118.95 115.35 2edr s ARG 85 Ca 0.41 0.57 0.02 0.00 -0.13 0.00 0.00 55.73 56.60 2edr s ARG 85 Cb -0.02 0.21 -0.03 0.00 -1.56 0.00 0.00 34.95 33.54 2edr s ARG 85 CO 0.25 -0.06 -0.08 -0.08 -0.81 0.00 0.00 175.30 174.52 2edr s THR 86 N 0.36 3.61 0.04 4.11 -1.32 -1.15 -4.94 115.64 116.35 2edr s THR 86 Ca 0.02 -0.63 0.08 0.00 -1.21 0.00 0.00 61.69 59.94 2edr s THR 86 Cb -0.05 -2.51 -0.03 0.00 -1.51 0.00 0.00 72.50 68.41 2edr s THR 86 CO -0.08 0.51 -0.22 -0.44 -2.21 0.00 0.00 174.62 172.18 2edr s SER 87 N -1.07 2.59 -0.02 8.08 0.01 -1.26 -0.03 113.70 122.00 2edr s SER 87 Ca 0.14 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.88 2edr s SER 87 Cb -0.11 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 65.92 2edr s SER 87 CO 0.04 0.18 0.01 0.00 0.41 0.00 0.00 173.24 173.88 2edr s ALA 88 N -0.78 0.23 -0.11 1.44 0.00 0.74 -4.67 121.76 118.61 2edr s ALA 88 Ca 0.08 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.93 2edr s ALA 88 Cb -0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 2edr s ALA 88 CO 0.02 -0.07 1.22 0.99 0.00 0.00 0.00 175.76 177.92 2edr s THR 89 N 0.92 4.30 -0.20 0.00 2.01 -1.26 -1.29 115.64 120.12 2edr s THR 89 Ca -0.09 1.60 -0.10 0.00 0.31 0.00 0.00 61.69 63.41 2edr s THR 89 Cb -0.12 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 2edr s THR 89 CO -0.02 -0.07 0.12 -0.22 -0.69 0.00 0.00 174.62 173.75 2edr s LEU 90 N 2.82 4.15 -0.17 4.42 2.96 -1.18 -2.95 118.68 128.74 2edr s LEU 90 Ca 0.55 0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 54.64 2edr s LEU 90 Cb -0.23 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.38 2edr s LEU 90 CO 0.18 0.17 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.39 2edr s THR 91 N 0.40 3.15 -0.05 3.68 2.01 -0.71 -2.43 115.64 121.69 2edr s THR 91 Ca 0.07 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.48 2edr s THR 91 Cb -0.11 -2.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.99 2edr s THR 91 CO -0.01 0.48 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.69 2edr s VAL 92 N 0.87 4.07 0.34 3.82 1.01 -1.26 0.20 120.40 129.45 2edr s VAL 92 Ca -0.03 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.58 2edr s VAL 92 Cb -0.15 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 2edr s VAL 92 CO 0.00 0.51 0.04 -0.54 0.00 0.00 0.00 175.10 175.12 2edr s LYS 93 N -1.13 2.16 -0.41 2.72 -0.14 -0.21 -4.87 119.74 117.85 2edr s LYS 93 Ca 0.15 -1.68 -0.19 0.00 -1.36 0.00 0.00 55.97 52.89 2edr s LYS 93 Cb -0.11 -2.00 0.02 0.00 -1.68 0.00 0.00 37.83 34.05 2edr s LYS 93 CO 0.05 0.14 0.55 0.00 -0.76 0.00 0.00 175.35 175.33 2edr s ALA 94 N -2.49 3.40 0.49 5.17 0.00 -1.26 0.35 121.76 127.43 2edr s ALA 94 Ca 0.35 -1.26 -0.24 0.00 0.00 0.00 0.00 51.96 50.82 2edr s ALA 94 Cb -0.01 -3.16 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 2edr s ALA 94 CO 0.20 -1.59 1.40 -0.48 0.00 0.00 0.00 175.76 175.29 2edr s LEU 95 N 2.51 4.00 -0.75 0.00 0.05 -1.26 -4.87 118.68 118.35 2edr s LEU 95 Ca 0.18 2.86 -0.26 0.00 0.05 0.00 0.00 54.13 56.97 2edr s LEU 95 Cb -0.15 -4.08 -0.03 0.00 -2.05 0.00 0.00 46.19 39.87 2edr s LEU 95 CO 0.16 -1.35 1.90 -2.16 -0.55 0.00 0.00 176.35 174.35 2edr s PRO 96 N -2.65 2.59 -0.18 1.48 0.04 -1.26 -4.80 135.00 130.22 2edr s PRO 96 Ca 0.66 0.17 -0.24 0.00 0.04 0.00 0.00 61.00 61.63 2edr s PRO 96 Cb -0.42 -4.71 -0.21 0.00 0.04 0.00 0.00 34.50 29.19 2edr s PRO 96 CO 0.53 -3.04 0.41 0.66 0.04 0.00 0.00 177.00 175.59 2edr h SER 97 N 13.19 0.00 -1.89 6.66 4.64 -2.02 -3.50 113.55 130.63 2edr h SER 97 Ca -0.09 -0.68 -0.04 0.00 -0.47 0.00 0.00 61.79 60.52 2edr h SER 97 Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 2edr h SER 97 CO 1.21 1.29 0.03 0.61 -0.87 0.00 0.00 176.83 179.10 2edr n GLY 98 N 1.51 2.14 0.19 -0.77 0.00 -1.26 -5.03 105.19 101.97 2edr n GLY 98 Ca -0.23 -1.23 0.14 0.00 0.00 0.00 0.00 46.02 44.70 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 0.00 -0.33 1.61 0.13 -1.97 -3.33 132.00 128.12 2edr h PRO 99 Ca -0.10 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.06 2edr h PRO 99 Cb 0.37 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.47 2edr h PRO 99 CO 0.12 0.00 -0.19 0.45 -0.23 0.00 0.00 178.00 178.15 2edr n SER 100 N -2.57 -0.34 -0.05 1.44 2.88 -1.26 -3.26 113.62 110.45 2edr n SER 100 Ca 0.01 1.03 -0.02 0.00 -1.33 0.00 0.00 58.87 58.56 2edr n SER 100 Cb 0.25 -0.30 -0.01 0.00 -0.75 0.00 0.00 64.21 63.41 2edr n SER 100 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2edr h SER 101 N 0.00 0.00 -0.02 -3.46 0.87 -2.02 -3.55 113.55 105.38 2edr h SER 101 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2edr h SER 101 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2edr h SER 101 CO -0.31 0.56 0.00 0.61 -0.53 0.00 0.00 176.83 177.16