#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eny s SER 2 N 0.00 4.28 0.28 1.61 1.04 -1.26 -5.04 113.70 114.61 2eny s SER 2 Ca 0.00 0.15 -0.29 0.00 0.48 0.00 0.00 55.95 56.29 2eny s SER 2 Cb 0.00 -0.58 -0.09 0.00 0.10 0.00 0.00 66.02 65.44 2eny s SER 2 CO 0.00 -1.94 1.08 -0.44 0.98 0.00 0.00 173.24 172.93 2eny s SER 3 N -4.67 7.29 -0.20 7.02 0.01 -1.26 -5.05 113.70 116.84 2eny s SER 3 Ca 0.65 2.23 -0.10 0.00 1.31 0.00 0.00 55.95 60.04 2eny s SER 3 Cb -0.07 -2.62 0.07 0.00 0.21 0.00 0.00 66.02 63.60 2eny s SER 3 CO 0.46 -0.13 0.47 -0.83 0.41 0.00 0.00 173.24 173.62 2eny s GLY 4 N -0.93 -0.40 0.12 3.44 0.00 -1.26 -5.17 107.32 103.13 2eny s GLY 4 Ca 0.45 1.71 0.05 0.00 0.00 0.00 0.00 44.72 46.92 2eny s GLY 4 CO 0.40 1.97 -0.12 -0.56 0.00 0.00 0.00 173.10 174.78 2eny s SER 5 N 1.68 1.81 0.73 1.64 0.01 -1.26 -5.16 113.70 113.15 2eny s SER 5 Ca -0.08 -0.85 -0.08 0.00 1.31 0.00 0.00 55.95 56.24 2eny s SER 5 Cb -0.08 -0.04 0.06 0.00 0.21 0.00 0.00 66.02 66.17 2eny s SER 5 CO -0.14 -0.21 1.06 -0.55 0.41 0.00 0.00 173.24 173.81 2eny s SER 6 N -2.59 4.81 0.00 2.44 0.15 -1.26 -4.98 113.70 112.27 2eny s SER 6 Ca 0.09 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.35 2eny s SER 6 Cb -0.03 -1.24 0.00 0.00 -1.71 0.00 0.00 66.02 63.04 2eny s SER 6 CO 0.02 -1.64 0.00 0.61 1.20 0.00 0.00 173.24 173.43 2eny n GLY 7 N -3.02 0.16 3.22 9.45 0.00 -1.26 -4.90 105.19 108.83 2eny n GLY 7 Ca 0.08 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 2eny n GLY 7 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2eny s HIS 8 N -2.94 3.44 -0.28 1.61 5.65 -1.26 -5.04 115.29 116.48 2eny s HIS 8 Ca 0.00 -1.93 0.01 0.00 0.25 0.00 0.00 55.06 53.40 2eny s HIS 8 Cb 0.00 -3.52 0.06 0.00 -1.18 0.00 0.00 32.58 27.94 2eny s HIS 8 CO 0.00 -0.98 -0.06 0.08 -0.65 0.00 0.00 174.74 173.12 2eny s VAL 9 N 1.14 2.45 0.26 0.89 1.01 -1.26 -4.99 120.40 119.89 2eny s VAL 9 Ca 0.08 -1.60 0.02 0.00 0.00 0.00 0.00 61.98 60.47 2eny s VAL 9 Cb -0.25 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 2eny s VAL 9 CO -0.01 -0.09 0.06 0.61 0.00 0.00 0.00 175.10 175.67 2eny n GLY 10 N 4.48 3.66 3.59 4.51 0.00 -1.26 -4.99 105.19 115.19 2eny n GLY 10 Ca -0.13 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.36 2eny n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2eny s ILE 11 N -2.33 4.81 -0.15 -0.61 1.01 -1.26 -1.81 121.20 120.85 2eny s ILE 11 Ca 0.09 0.91 0.19 0.00 0.00 0.00 0.00 60.65 61.83 2eny s ILE 11 Cb 0.00 -4.14 -0.11 0.00 0.01 0.00 0.00 42.46 38.23 2eny s ILE 11 CO 0.06 -0.32 0.85 1.07 0.00 0.00 0.00 174.94 176.61 2eny n THR 12 N 5.63 0.99 -3.62 2.92 5.66 -1.25 -4.53 114.28 120.07 2eny n THR 12 Ca 0.02 -0.65 -0.33 0.00 -3.05 0.00 0.00 64.05 60.04 2eny n THR 12 Cb 0.48 -0.59 -0.07 0.00 -1.55 0.00 0.00 70.33 68.60 2eny n THR 12 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2eny n LYS 13 N -2.80 2.57 -1.63 1.09 3.00 -1.10 -5.06 118.16 114.23 2eny n LYS 13 Ca -0.07 -4.52 -0.37 0.00 -0.00 0.00 0.00 58.31 53.35 2eny n LYS 13 Cb 0.75 -2.37 0.08 0.00 0.00 0.00 0.00 35.03 33.49 2eny n LYS 13 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2eny n ARG 14 N 1.92 0.97 -1.73 1.64 1.85 -1.26 -3.53 116.66 116.51 2eny n ARG 14 Ca 0.23 0.39 -0.42 0.00 -1.00 0.00 0.00 57.85 57.05 2eny n ARG 14 Cb 0.37 -2.51 -0.01 0.00 -1.05 0.00 0.00 32.46 29.26 2eny n ARG 14 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2eny n LEU 15 N -2.07 4.14 -4.82 2.89 4.77 -1.26 -4.96 117.00 115.68 2eny n LEU 15 Ca 0.16 1.18 -0.36 0.00 -0.03 0.00 0.00 56.01 56.96 2eny n LEU 15 Cb 0.48 -1.55 -0.07 0.00 -2.33 0.00 0.00 43.42 39.95 2eny n LEU 15 CO 0.47 -0.07 -0.22 -0.75 -1.33 0.00 0.00 177.39 175.50 2eny s LYS 16 N -1.26 3.27 -0.08 3.23 2.20 -1.26 -4.84 119.74 121.00 2eny s LYS 16 Ca 0.60 -0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 55.64 2eny s LYS 16 Cb -0.53 -3.04 -0.08 0.00 -1.51 0.00 0.00 37.83 32.67 2eny s LYS 16 CO 0.56 0.74 2.05 2.41 -0.36 0.00 0.00 175.35 180.75 2eny n THR 17 N 1.85 0.58 -3.33 3.43 -1.04 -1.26 -4.84 114.28 109.67 2eny n THR 17 Ca -0.18 -0.24 -0.38 0.00 -2.04 0.00 0.00 64.05 61.20 2eny n THR 17 Cb 0.54 -2.29 -0.06 0.00 -1.82 0.00 0.00 70.33 66.70 2eny n THR 17 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 2eny s MET 18 N 5.10 4.20 -0.16 -2.82 -1.94 -1.16 -5.00 119.30 117.52 2eny s MET 18 Ca 0.94 0.55 -0.00 0.00 -1.71 0.00 0.00 55.69 55.48 2eny s MET 18 Cb -0.47 -3.32 0.04 0.00 2.01 0.00 0.00 34.83 33.09 2eny s MET 18 CO 0.42 0.43 -0.06 -2.00 -0.01 0.00 0.00 175.02 173.80 2eny s GLU 19 N -0.31 1.46 0.16 2.03 -6.30 -1.26 -1.65 118.70 112.83 2eny s GLU 19 Ca 0.27 -0.51 -0.01 0.00 -2.50 0.00 0.00 54.97 52.22 2eny s GLU 19 Cb -0.17 -1.99 -0.04 0.00 0.00 0.00 0.00 34.13 31.93 2eny s GLU 19 CO 0.14 -0.42 0.09 0.14 0.02 0.00 0.00 175.26 175.23 2eny s VAL 20 N 1.63 0.08 0.03 3.70 -7.23 -1.11 -5.04 120.40 112.46 2eny s VAL 20 Ca 0.01 -1.95 -0.17 0.00 -1.81 0.00 0.00 61.98 58.06 2eny s VAL 20 Cb -0.15 -2.25 -0.06 0.00 0.56 0.00 0.00 36.38 34.48 2eny s VAL 20 CO -0.08 -0.26 0.48 -0.22 -0.31 0.00 0.00 175.10 174.71 2eny s LEU 21 N -3.10 4.50 -0.32 1.32 2.96 -1.26 -3.34 118.68 119.43 2eny s LEU 21 Ca 0.31 1.10 -0.44 0.00 -0.22 0.00 0.00 54.13 54.88 2eny s LEU 21 Cb 0.07 -2.73 -0.19 0.00 0.50 0.00 0.00 46.19 43.84 2eny s LEU 21 CO 0.06 0.30 1.49 1.21 -1.32 0.00 0.00 176.35 178.09 2eny n GLU 22 N 1.79 0.22 0.00 1.98 2.13 0.46 -0.63 120.64 126.59 2eny n GLU 22 Ca -0.12 0.08 0.00 0.00 0.66 0.00 0.00 57.16 57.78 2eny n GLU 22 Cb 0.52 -1.61 0.00 0.00 0.27 0.00 0.00 31.44 30.61 2eny n GLU 22 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2eny n GLY 23 N 3.38 3.12 3.33 8.31 0.00 -0.54 -4.62 105.19 118.17 2eny n GLY 23 Ca 0.27 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 2eny n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2eny s GLU 24 N 0.00 -2.54 0.00 1.61 0.41 0.20 -4.54 118.70 113.84 2eny s GLU 24 Ca 0.00 0.34 0.08 0.00 -0.41 0.00 0.00 54.97 54.98 2eny s GLU 24 Cb 0.00 -1.41 -0.02 0.00 -1.78 0.00 0.00 34.13 30.92 2eny s GLU 24 CO 0.00 -4.67 -0.24 -1.54 -0.49 0.00 0.00 175.26 168.32 2eny s SER 25 N -2.92 2.87 0.44 -0.19 1.04 -1.26 -3.58 113.70 110.10 2eny s SER 25 Ca 0.68 -0.48 0.05 0.00 0.48 0.00 0.00 55.95 56.69 2eny s SER 25 Cb -0.17 -0.30 -0.06 0.00 0.10 0.00 0.00 66.02 65.60 2eny s SER 25 CO 0.60 0.28 0.01 0.00 0.98 0.00 0.00 173.24 175.11 2eny s SER 27 N -3.76 0.82 -0.32 0.00 1.04 -1.26 -0.96 113.70 109.26 2eny s SER 27 Ca 0.25 0.24 -0.20 0.00 0.48 0.00 0.00 55.95 56.73 2eny s SER 27 Cb 0.07 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 2eny s SER 27 CO 0.13 -0.27 0.60 -0.36 0.98 0.00 0.00 173.24 174.32 2eny s PHE 28 N 2.35 3.20 -0.13 5.02 0.08 -1.15 -4.87 117.98 122.48 2eny s PHE 28 Ca 0.04 0.46 -0.11 0.00 0.12 0.00 0.00 56.93 57.44 2eny s PHE 28 Cb -0.13 -2.99 -0.05 0.00 -0.57 0.00 0.00 43.02 39.28 2eny s PHE 28 CO -0.09 -0.51 0.24 -1.21 -0.10 0.00 0.00 175.22 173.56 2eny s GLU 29 N 2.57 3.95 -0.11 0.44 2.02 -1.26 -2.33 118.70 123.98 2eny s GLU 29 Ca 0.24 0.03 -0.03 0.00 0.02 0.00 0.00 54.97 55.22 2eny s GLU 29 Cb -0.15 -3.32 0.04 0.00 0.10 0.00 0.00 34.13 30.80 2eny s GLU 29 CO 0.13 0.49 0.05 0.00 0.02 0.00 0.00 175.26 175.95 2eny s VAL 31 N 2.07 3.46 0.48 0.00 1.01 -1.23 -1.68 120.40 124.50 2eny s VAL 31 Ca 0.03 -1.03 0.08 0.00 0.00 0.00 0.00 61.98 61.06 2eny s VAL 31 Cb -0.14 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.72 2eny s VAL 31 CO -0.06 0.26 0.61 -0.76 0.00 0.00 0.00 175.10 175.15 2eny s LEU 32 N -1.79 3.39 -0.12 3.92 1.43 -1.26 -2.73 118.68 121.53 2eny s LEU 32 Ca 0.19 -0.65 -0.26 0.00 -1.03 0.00 0.00 54.13 52.39 2eny s LEU 32 Cb -0.11 -2.17 -0.27 0.00 0.03 0.00 0.00 46.19 43.67 2eny s LEU 32 CO 0.10 -0.96 0.76 0.77 0.23 0.00 0.00 176.35 177.25 2eny h SER 33 N 0.54 0.15 -3.13 2.29 4.64 -1.71 -3.42 113.55 112.91 2eny h SER 33 Ca -0.37 -0.95 -0.52 0.00 -0.47 0.00 0.00 61.79 59.49 2eny h SER 33 Cb 1.28 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 2eny h SER 33 CO 0.46 1.18 -0.18 -2.28 -0.87 0.00 0.00 176.83 175.13 2eny s HIS 34 N -2.30 3.48 -0.07 4.77 5.65 -1.26 -5.01 115.29 120.54 2eny s HIS 34 Ca -0.18 0.58 -0.29 0.00 0.25 0.00 0.00 55.06 55.42 2eny s HIS 34 Cb -0.01 -2.05 -0.07 0.00 -1.18 0.00 0.00 32.58 29.27 2eny s HIS 34 CO 0.73 0.22 1.96 -2.00 -0.65 0.00 0.00 174.74 174.99 2eny s GLU 35 N -3.48 3.85 -0.57 2.88 -6.30 -1.26 -4.94 118.70 108.88 2eny s GLU 35 Ca 0.43 2.31 -0.17 0.00 -2.50 0.00 0.00 54.97 55.04 2eny s GLU 35 Cb -0.11 -4.18 0.13 0.00 0.00 0.00 0.00 34.13 29.97 2eny s GLU 35 CO 0.29 -1.28 0.57 0.45 0.02 0.00 0.00 175.26 175.32 2eny s SER 36 N 5.27 6.23 -0.19 -1.70 0.15 -1.26 -4.86 113.70 117.34 2eny s SER 36 Ca 0.88 -1.77 -0.14 0.00 0.70 0.00 0.00 55.95 55.62 2eny s SER 36 Cb -0.37 -2.23 -0.07 0.00 -1.71 0.00 0.00 66.02 61.63 2eny s SER 36 CO 0.37 -0.90 -0.31 0.00 1.20 0.00 0.00 173.24 173.60 2eny n ALA 37 N 5.43 1.28 -3.91 5.45 0.00 -1.26 -4.46 120.51 123.04 2eny n ALA 37 Ca -0.11 -0.82 -0.31 0.00 0.00 0.00 0.00 53.44 52.20 2eny n ALA 37 Cb 0.41 0.11 -0.13 0.00 0.00 0.00 0.00 19.45 19.84 2eny n ALA 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2eny s SER 38 N -6.45 4.51 -0.26 0.00 0.15 -1.26 -5.05 113.70 105.33 2eny s SER 38 Ca -0.29 -2.94 -0.22 0.00 0.70 0.00 0.00 55.95 53.20 2eny s SER 38 Cb 0.07 -1.68 0.07 0.00 -1.71 0.00 0.00 66.02 62.77 2eny s SER 38 CO 0.40 -0.26 0.69 -1.81 1.20 0.00 0.00 173.24 173.45 2eny s ASP 39 N -0.05 -0.76 0.91 5.45 1.11 -1.26 -5.17 116.67 116.90 2eny s ASP 39 Ca 0.17 1.41 -0.12 0.00 0.18 0.00 0.00 52.55 54.19 2eny s ASP 39 Cb -0.25 1.40 0.14 0.00 1.07 0.00 0.00 42.92 45.29 2eny s ASP 39 CO -0.01 -0.24 1.09 -2.16 1.18 0.00 0.00 175.17 175.03 2eny s PRO 40 N 0.62 1.12 -0.10 8.23 0.04 -1.26 -5.02 135.00 138.64 2eny s PRO 40 Ca -0.02 0.76 -0.20 0.00 0.04 0.00 0.00 61.00 61.58 2eny s PRO 40 Cb -0.05 -1.80 0.05 0.00 0.04 0.00 0.00 34.50 32.74 2eny s PRO 40 CO -0.03 -2.32 0.49 0.00 0.04 0.00 0.00 177.00 175.17 2eny s ALA 41 N -2.94 -1.23 -0.10 8.56 0.00 -1.26 -3.94 121.76 120.84 2eny s ALA 41 Ca 0.64 1.05 -0.03 0.00 0.00 0.00 0.00 51.96 53.61 2eny s ALA 41 Cb -0.18 -0.33 0.04 0.00 0.00 0.00 0.00 23.12 22.65 2eny s ALA 41 CO 0.57 -0.28 0.07 1.41 0.00 0.00 0.00 175.76 177.53 2eny s MET 42 N -0.61 0.06 0.05 0.00 1.75 -0.91 -5.06 119.30 114.59 2eny s MET 42 Ca -0.07 0.13 -0.13 0.00 -1.25 0.00 0.00 55.69 54.37 2eny s MET 42 Cb -0.03 -1.18 -0.06 0.00 2.84 0.00 0.00 34.83 36.40 2eny s MET 42 CO 0.04 -0.49 0.43 -1.58 -0.65 0.00 0.00 175.02 172.77 2eny s TRP 43 N 2.13 3.66 -0.10 4.11 0.52 -1.26 -2.47 118.94 125.53 2eny s TRP 43 Ca 0.03 0.93 -0.03 0.00 0.02 0.00 0.00 56.10 57.06 2eny s TRP 43 Cb -0.14 -2.26 0.04 0.00 -1.15 0.00 0.00 33.47 29.97 2eny s TRP 43 CO -0.06 0.57 0.08 0.95 0.02 0.00 0.00 176.95 178.51 2eny s THR 44 N -1.24 -0.11 -0.27 2.01 -4.23 -0.30 -3.17 115.64 108.32 2eny s THR 44 Ca 0.29 0.19 -0.00 0.00 -1.18 0.00 0.00 61.69 60.99 2eny s THR 44 Cb -0.16 -0.33 0.08 0.00 1.34 0.00 0.00 72.50 73.44 2eny s THR 44 CO 0.16 -0.01 0.04 0.54 -0.54 0.00 0.00 174.62 174.82 2eny s VAL 45 N 2.17 1.16 0.00 2.29 0.11 -1.23 -0.81 120.40 124.10 2eny s VAL 45 Ca 0.04 -1.33 0.00 0.00 -2.93 0.00 0.00 61.98 57.76 2eny s VAL 45 Cb -0.14 -1.72 0.00 0.00 -1.53 0.00 0.00 36.38 32.99 2eny s VAL 45 CO -0.06 -0.44 0.00 0.61 -3.33 0.00 0.00 175.10 171.88 2eny n GLY 46 N 4.76 0.97 3.46 6.54 0.00 -1.23 -4.30 105.19 115.39 2eny n GLY 46 Ca -0.05 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 2eny n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eny n GLY 47 N -0.70 -0.76 3.64 -0.02 0.00 -1.26 -5.01 105.19 101.09 2eny n GLY 47 Ca 0.00 0.35 -0.04 0.00 0.00 0.00 0.00 46.02 46.33 2eny n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2eny s LYS 48 N -5.21 0.46 0.39 1.61 -2.85 -1.26 -5.15 119.74 107.73 2eny s LYS 48 Ca 0.25 0.75 -0.27 0.00 -1.00 0.00 0.00 55.97 55.70 2eny s LYS 48 Cb -0.05 0.11 -0.10 0.00 -2.06 0.00 0.00 37.83 35.73 2eny s LYS 48 CO 0.77 -0.09 1.43 0.99 0.10 0.00 0.00 175.35 178.55 2eny s THR 49 N 1.25 2.20 0.21 3.79 2.01 -1.26 -3.47 115.64 120.37 2eny s THR 49 Ca -0.08 0.19 -0.00 0.00 0.31 0.00 0.00 61.69 62.11 2eny s THR 49 Cb -0.04 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 2eny s THR 49 CO -0.15 0.04 0.13 0.68 -0.69 0.00 0.00 174.62 174.63 2eny s VAL 50 N -1.16 0.11 0.00 3.82 -7.23 -1.19 -4.95 120.40 109.79 2eny s VAL 50 Ca 0.55 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 2eny s VAL 50 Cb -0.44 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 33.97 2eny s VAL 50 CO 0.59 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.99 2eny n GLY 51 N -0.32 3.42 3.75 2.32 0.00 -1.23 -4.53 105.19 108.60 2eny n GLY 51 Ca 0.02 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 2eny n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eny s SER 52 N 0.00 6.42 -1.66 1.61 0.01 -1.26 -4.38 113.70 114.44 2eny s SER 52 Ca 0.00 0.49 -0.10 0.00 1.31 0.00 0.00 55.95 57.65 2eny s SER 52 Cb 0.00 -2.16 0.10 0.00 0.21 0.00 0.00 66.02 64.16 2eny s SER 52 CO 0.00 0.16 0.34 -1.20 0.41 0.00 0.00 173.24 172.94 2eny n SER 53 N 3.30 -0.60 -3.98 2.44 7.64 -1.26 -4.92 113.62 116.24 2eny n SER 53 Ca -0.13 -1.20 -0.13 0.00 1.01 0.00 0.00 58.87 58.41 2eny n SER 53 Cb 0.52 -1.92 -0.13 0.00 -1.01 0.00 0.00 64.21 61.67 2eny n SER 53 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2eny s SER 54 N -3.90 0.54 0.46 6.43 0.01 -1.26 -5.02 113.70 110.96 2eny s SER 54 Ca 0.36 -0.27 0.28 0.00 1.31 0.00 0.00 55.95 57.63 2eny s SER 54 Cb -0.20 -0.00 1.35 0.00 0.21 0.00 0.00 66.02 67.37 2eny s SER 54 CO 0.99 -0.07 1.75 0.08 0.41 0.00 0.00 173.24 176.39 2eny h ARG 55 N 5.41 0.18 -6.24 12.44 0.11 -1.93 -3.35 114.38 121.00 2eny h ARG 55 Ca -0.30 -0.01 -0.53 0.00 0.10 0.00 0.00 59.98 59.24 2eny h ARG 55 Cb 1.20 -0.04 -0.06 0.00 1.11 0.00 0.00 29.97 32.18 2eny h ARG 55 CO 0.46 0.12 1.17 -0.06 0.10 0.00 0.00 179.97 181.76 2eny s PHE 56 N -5.23 2.06 -0.58 4.08 0.40 -1.26 -3.32 117.98 114.13 2eny s PHE 56 Ca -0.07 0.36 -0.19 0.00 -0.60 0.00 0.00 56.93 56.44 2eny s PHE 56 Cb 0.25 -4.38 0.10 0.00 0.51 0.00 0.00 43.02 39.50 2eny s PHE 56 CO 0.81 -2.15 0.67 -1.14 0.70 0.00 0.00 175.22 174.12 2eny s GLN 57 N 6.13 3.05 -0.79 0.44 0.74 -0.43 -3.49 119.66 125.31 2eny s GLN 57 Ca 0.50 -1.29 -0.22 0.00 0.05 0.00 0.00 55.36 54.40 2eny s GLN 57 Cb -0.10 -4.24 0.08 0.00 1.10 0.00 0.00 33.01 29.84 2eny s GLN 57 CO 0.19 -1.48 1.13 0.00 -0.55 0.00 0.00 175.29 174.58 2eny s ALA 58 N 2.59 3.06 0.34 1.58 0.00 -1.26 -0.80 121.76 127.28 2eny s ALA 58 Ca 0.11 -2.07 -0.26 0.00 0.00 0.00 0.00 51.96 49.75 2eny s ALA 58 Cb -0.24 -4.07 -0.10 0.00 0.00 0.00 0.00 23.12 18.72 2eny s ALA 58 CO 0.07 -3.03 0.97 0.95 0.00 0.00 0.00 175.76 174.71 2eny s THR 59 N 4.10 4.11 -0.37 0.00 -4.23 0.56 -4.91 115.64 114.90 2eny s THR 59 Ca 0.30 1.71 -0.13 0.00 -1.18 0.00 0.00 61.69 62.39 2eny s THR 59 Cb -0.10 -3.93 0.00 0.00 1.34 0.00 0.00 72.50 69.81 2eny s THR 59 CO 0.03 0.11 0.26 -0.60 -0.54 0.00 0.00 174.62 173.87 2eny s ARG 60 N -2.16 3.19 -0.39 3.99 3.52 -1.26 -2.81 118.95 123.03 2eny s ARG 60 Ca 0.52 -0.85 0.03 0.00 -0.13 0.00 0.00 55.73 55.30 2eny s ARG 60 Cb -0.19 -3.85 0.11 0.00 -1.56 0.00 0.00 34.95 29.45 2eny s ARG 60 CO 0.24 -0.60 0.12 -1.14 -0.81 0.00 0.00 175.30 173.11 2eny s GLN 61 N 1.68 1.52 1.31 5.12 -0.44 -0.92 -5.05 119.66 122.87 2eny s GLN 61 Ca 0.05 -1.99 0.00 0.00 -2.50 0.00 0.00 55.36 50.92 2eny s GLN 61 Cb -0.18 -3.07 0.00 0.00 -1.64 0.00 0.00 33.01 28.12 2eny s GLN 61 CO 0.10 -1.00 0.00 0.41 0.50 0.00 0.00 175.29 175.30 2eny n GLY 62 N 3.99 2.66 1.93 2.59 0.00 -1.26 0.13 105.19 115.24 2eny n GLY 62 Ca 0.04 0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 2eny n GLY 62 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2eny n ARG 63 N 14.00 1.87 -3.80 1.61 1.85 -1.26 -4.85 116.66 126.07 2eny n ARG 63 Ca 0.00 -1.68 -0.12 0.00 -1.00 0.00 0.00 57.85 55.05 2eny n ARG 63 Cb 0.00 -1.66 -0.10 0.00 -1.05 0.00 0.00 32.46 29.65 2eny n ARG 63 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2eny s LYS 64 N -1.93 0.49 0.06 2.89 2.20 0.12 -4.13 119.74 119.44 2eny s LYS 64 Ca 0.34 -0.07 0.07 0.00 -0.36 0.00 0.00 55.97 55.95 2eny s LYS 64 Cb 0.26 0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 36.76 2eny s LYS 64 CO -0.01 -0.11 -0.16 0.71 -0.36 0.00 0.00 175.35 175.41 2eny s TYR 65 N -0.85 2.60 -0.11 4.03 2.02 -0.68 -2.16 117.35 122.20 2eny s TYR 65 Ca -0.09 -0.23 -0.03 0.00 -0.37 0.00 0.00 57.07 56.34 2eny s TYR 65 Cb -0.05 -1.45 0.05 0.00 -0.40 0.00 0.00 41.96 40.11 2eny s TYR 65 CO 0.02 0.30 0.13 0.42 -1.57 0.00 0.00 175.55 174.85 2eny s ILE 66 N -1.00 -0.20 -0.53 2.71 1.09 -1.12 -2.10 121.20 120.05 2eny s ILE 66 Ca 0.16 0.19 -0.13 0.00 -1.10 0.00 0.00 60.65 59.78 2eny s ILE 66 Cb -0.11 -0.38 0.13 0.00 -1.06 0.00 0.00 42.46 41.05 2eny s ILE 66 CO 0.07 0.01 0.45 -0.22 -0.10 0.00 0.00 174.94 175.15 2eny s LEU 67 N 2.24 5.99 -0.57 2.97 2.96 -0.99 -0.32 118.68 130.96 2eny s LEU 67 Ca 0.04 -1.93 -0.27 0.00 -0.22 0.00 0.00 54.13 51.75 2eny s LEU 67 Cb -0.13 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.44 2eny s LEU 67 CO -0.07 -0.76 1.55 -0.69 -1.32 0.00 0.00 176.35 175.07 2eny s VAL 68 N 1.36 3.64 -0.73 1.68 1.01 0.02 -2.95 120.40 124.43 2eny s VAL 68 Ca 0.05 0.50 -0.25 0.00 0.00 0.00 0.00 61.98 62.29 2eny s VAL 68 Cb -0.27 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 31.87 2eny s VAL 68 CO 0.00 -1.11 1.16 -0.69 0.00 0.00 0.00 175.10 174.47 2eny s VAL 69 N 6.90 3.99 -0.11 2.92 1.01 -0.14 -1.32 120.40 133.66 2eny s VAL 69 Ca 0.57 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.54 2eny s VAL 69 Cb -0.12 -4.83 0.15 0.00 0.00 0.00 0.00 36.38 31.57 2eny s VAL 69 CO 0.23 -1.70 1.29 0.54 0.00 0.00 0.00 175.10 175.46 2eny n ARG 70 N 8.62 1.29 -3.15 2.72 1.74 -1.21 -3.17 116.66 123.50 2eny n ARG 70 Ca 0.03 -0.68 0.05 0.00 -0.77 0.00 0.00 57.85 56.48 2eny n ARG 70 Cb 0.48 -1.27 -0.01 0.00 -1.02 0.00 0.00 32.46 30.64 2eny n ARG 70 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2eny s GLU 71 N -0.75 0.31 -0.66 5.56 2.02 -1.26 -4.99 118.70 118.92 2eny s GLU 71 Ca 0.13 0.45 0.04 0.00 0.02 0.00 0.00 54.97 55.61 2eny s GLU 71 Cb 0.11 0.24 0.16 0.00 0.10 0.00 0.00 34.13 34.73 2eny s GLU 71 CO 0.02 -0.43 0.44 0.00 0.02 0.00 0.00 175.26 175.31 2eny s ALA 72 N 2.92 3.70 0.35 5.21 0.00 -1.24 -5.01 121.76 127.69 2eny s ALA 72 Ca 0.12 -3.68 0.06 0.00 0.00 0.00 0.00 51.96 48.46 2eny s ALA 72 Cb -0.09 -2.20 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 2eny s ALA 72 CO -0.18 -2.08 0.49 0.00 0.00 0.00 0.00 175.76 173.99 2eny s ALA 73 N -1.12 4.20 -2.00 0.00 0.00 -1.26 -1.46 121.76 120.11 2eny s ALA 73 Ca 0.23 -1.42 0.15 0.00 0.00 0.00 0.00 51.96 50.92 2eny s ALA 73 Cb -0.11 -1.72 0.91 0.00 0.00 0.00 0.00 23.12 22.20 2eny s ALA 73 CO -0.12 -0.07 1.33 -0.35 0.00 0.00 0.00 175.76 176.55 2eny n PRO 74 N -1.68 0.49 -0.09 0.00 -0.04 -1.26 -3.42 135.00 128.99 2eny n PRO 74 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 2eny n PRO 74 Cb 0.58 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 2eny n PRO 74 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2eny n SER 75 N -0.99 1.94 -0.29 3.54 7.64 -1.26 -4.50 113.62 119.70 2eny n SER 75 Ca 0.11 0.33 0.27 0.00 1.01 0.00 0.00 58.87 60.59 2eny n SER 75 Cb 0.05 -0.74 0.50 0.00 -1.01 0.00 0.00 64.21 63.01 2eny n SER 75 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2eny n ASP 76 N -4.45 0.26 -4.72 6.43 8.00 -1.22 -4.44 116.55 116.41 2eny n ASP 76 Ca -0.15 1.52 -0.61 0.00 0.71 0.00 0.00 54.79 56.25 2eny n ASP 76 Cb 0.53 -0.71 -0.08 0.00 -0.02 0.00 0.00 41.12 40.84 2eny n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2eny n ALA 77 N -2.45 -0.63 0.00 2.24 0.00 -1.24 -4.49 120.51 113.93 2eny n ALA 77 Ca 0.33 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.20 2eny n ALA 77 Cb 1.11 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2eny n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2eny n GLY 78 N 4.07 -2.03 3.58 0.00 0.00 -1.26 -5.01 105.19 104.54 2eny n GLY 78 Ca 0.28 0.63 -0.01 0.00 0.00 0.00 0.00 46.02 46.92 2eny n GLY 78 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2eny s GLU 79 N -1.04 0.29 -0.26 1.61 2.12 -1.26 -4.63 118.70 115.53 2eny s GLU 79 Ca 0.00 0.55 -0.09 0.00 0.36 0.00 0.00 54.97 55.78 2eny s GLU 79 Cb 0.00 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.48 2eny s GLU 79 CO 0.00 -0.07 0.13 0.08 -0.54 0.00 0.00 175.26 174.87 2eny s VAL 80 N 1.54 4.92 -0.07 3.70 1.01 -0.90 -3.49 120.40 127.12 2eny s VAL 80 Ca -0.07 0.04 0.04 0.00 0.00 0.00 0.00 61.98 61.99 2eny s VAL 80 Cb -0.04 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 2eny s VAL 80 CO -0.15 0.31 -0.20 -0.69 0.00 0.00 0.00 175.10 174.38 2eny s VAL 81 N 1.52 2.54 -0.16 2.92 1.01 0.01 -1.78 120.40 126.46 2eny s VAL 81 Ca 0.06 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 2eny s VAL 81 Cb -0.15 -1.97 0.05 0.00 0.00 0.00 0.00 36.38 34.31 2eny s VAL 81 CO 0.07 0.57 0.01 0.12 0.00 0.00 0.00 175.10 175.86 2eny s PHE 82 N -0.28 1.11 -0.14 5.22 5.36 -0.43 -1.15 117.98 127.68 2eny s PHE 82 Ca 0.01 -0.75 -0.04 0.00 -0.96 0.00 0.00 56.93 55.19 2eny s PHE 82 Cb -0.13 -1.04 -0.03 0.00 -0.34 0.00 0.00 43.02 41.47 2eny s PHE 82 CO 0.03 -0.54 -0.00 -1.12 -1.46 0.00 0.00 175.22 172.12 2eny s SER 83 N 1.83 5.12 -0.03 6.13 0.01 -1.03 -0.82 113.70 124.91 2eny s SER 83 Ca 0.01 0.00 -0.00 0.00 1.31 0.00 0.00 55.95 57.26 2eny s SER 83 Cb -0.15 -1.73 0.03 0.00 0.21 0.00 0.00 66.02 64.37 2eny s SER 83 CO -0.07 0.23 0.03 0.54 0.41 0.00 0.00 173.24 174.38 2eny s VAL 84 N -0.00 -0.02 -0.74 3.43 0.11 -0.36 -2.13 120.40 120.68 2eny s VAL 84 Ca 0.03 0.24 -0.09 0.00 -2.93 0.00 0.00 61.98 59.23 2eny s VAL 84 Cb -0.13 -0.14 0.08 0.00 -1.53 0.00 0.00 36.38 34.67 2eny s VAL 84 CO 0.02 0.12 0.23 -2.11 -3.33 0.00 0.00 175.10 170.03 2eny n ARG 85 N 4.44 -2.24 0.00 1.54 1.85 -1.25 0.24 116.66 121.24 2eny n ARG 85 Ca -0.22 0.09 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 2eny n ARG 85 Cb 0.50 -4.63 0.00 0.00 -1.05 0.00 0.00 32.46 27.28 2eny n ARG 85 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2eny n GLY 86 N -0.74 3.10 3.24 2.89 0.00 -1.26 -5.06 105.19 107.36 2eny n GLY 86 Ca 0.04 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 2eny n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2eny n LEU 87 N 0.00 -2.25 -3.66 0.99 4.77 0.14 -4.98 117.00 112.02 2eny n LEU 87 Ca 0.00 0.04 -0.15 0.00 -0.03 0.00 0.00 56.01 55.87 2eny n LEU 87 Cb 0.00 -0.93 -0.08 0.00 -2.33 0.00 0.00 43.42 40.08 2eny n LEU 87 CO 0.00 -3.41 0.24 -0.89 -1.33 0.00 0.00 177.39 172.00 2eny s THR 88 N -2.22 0.01 -0.01 -5.08 2.01 -1.26 -1.23 115.64 107.87 2eny s THR 88 Ca 0.52 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.42 2eny s THR 88 Cb -0.11 -0.79 -0.00 0.00 0.01 0.00 0.00 72.50 71.61 2eny s THR 88 CO 0.68 -0.06 -0.08 -0.55 -0.69 0.00 0.00 174.62 173.92 2eny s SER 89 N -0.51 0.98 0.17 3.53 0.15 0.00 -4.95 113.70 113.07 2eny s SER 89 Ca -0.06 -0.15 0.10 0.00 0.70 0.00 0.00 55.95 56.53 2eny s SER 89 Cb -0.03 -0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.05 2eny s SER 89 CO 0.04 0.07 -0.15 -0.54 1.20 0.00 0.00 173.24 173.86 2eny s LYS 90 N 0.02 1.85 0.33 5.44 1.02 -1.26 -1.31 119.74 125.83 2eny s LYS 90 Ca -0.00 -1.32 -0.18 0.00 0.02 0.00 0.00 55.97 54.49 2eny s LYS 90 Cb -0.06 -2.06 0.05 0.00 -0.52 0.00 0.00 37.83 35.25 2eny s LYS 90 CO -0.00 0.43 0.83 0.00 -0.92 0.00 0.00 175.35 175.69 2eny s ALA 91 N -1.57 -1.00 -0.01 5.17 0.00 -0.73 -4.56 121.76 119.06 2eny s ALA 91 Ca 0.22 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 51.66 2eny s ALA 91 Cb -0.09 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 2eny s ALA 91 CO 0.13 -1.01 -0.17 0.45 0.00 0.00 0.00 175.76 175.15 2eny s SER 92 N -3.10 2.01 -0.21 0.00 0.15 -1.26 -2.11 113.70 109.18 2eny s SER 92 Ca 0.16 -0.31 -0.01 0.00 0.70 0.00 0.00 55.95 56.48 2eny s SER 92 Cb -0.05 -0.24 0.01 0.00 -1.71 0.00 0.00 66.02 64.04 2eny s SER 92 CO 0.09 0.21 -0.12 -0.22 1.20 0.00 0.00 173.24 174.40 2eny s LEU 93 N -0.39 2.59 -0.22 3.45 2.96 -1.26 -3.01 118.68 122.79 2eny s LEU 93 Ca 0.06 -0.59 -0.13 0.00 -0.22 0.00 0.00 54.13 53.25 2eny s LEU 93 Cb -0.07 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 2eny s LEU 93 CO -0.01 -0.03 0.25 -0.63 -1.32 0.00 0.00 176.35 174.62 2eny s ILE 94 N 1.36 5.30 -0.21 6.68 1.09 -0.66 -4.08 121.20 130.69 2eny s ILE 94 Ca 0.04 0.39 -0.01 0.00 -1.10 0.00 0.00 60.65 59.98 2eny s ILE 94 Cb -0.14 -3.59 0.06 0.00 -1.06 0.00 0.00 42.46 37.73 2eny s ILE 94 CO -0.08 0.31 -0.02 -0.69 -0.10 0.00 0.00 174.94 174.36 2eny s VAL 95 N 1.13 1.10 -0.09 2.92 1.01 -1.26 -2.76 120.40 122.45 2eny s VAL 95 Ca 0.12 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 61.07 2eny s VAL 95 Cb -0.14 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 2eny s VAL 95 CO 0.06 -0.10 0.36 -0.13 0.00 0.00 0.00 175.10 175.29 2eny s ARG 96 N 1.60 4.09 0.45 2.72 1.81 -1.21 -4.60 118.95 123.81 2eny s ARG 96 Ca -0.03 0.26 -0.25 0.00 -1.72 0.00 0.00 55.73 53.99 2eny s ARG 96 Cb -0.18 -3.34 -0.08 0.00 -0.45 0.00 0.00 34.95 30.91 2eny s ARG 96 CO -0.07 0.42 1.39 -1.83 -0.68 0.00 0.00 175.30 174.53 2eny s GLU 97 N -0.16 3.71 -0.46 3.54 -1.05 -1.26 -0.41 118.70 122.61 2eny s GLU 97 Ca 0.21 2.33 0.04 0.00 -0.15 0.00 0.00 54.97 57.40 2eny s GLU 97 Cb -0.15 -2.64 0.57 0.00 -0.44 0.00 0.00 34.13 31.47 2eny s GLU 97 CO 0.09 -0.76 1.82 2.89 0.95 0.00 0.00 175.26 180.24 2eny n ARG 98 N -0.19 2.35 -4.32 -4.83 -4.01 -1.26 -4.78 116.66 99.61 2eny n ARG 98 Ca 0.05 -3.18 -0.24 0.00 -1.04 0.00 0.00 57.85 53.45 2eny n ARG 98 Cb 0.43 -2.14 -0.08 0.00 -3.04 0.00 0.00 32.46 27.62 2eny n ARG 98 CO 0.00 0.00 0.00 -1.12 -3.04 0.00 0.00 177.63 173.47 2eny s SER 99 N -1.79 4.27 0.00 2.89 0.01 -1.26 -5.07 113.70 112.74 2eny s SER 99 Ca 0.56 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.98 2eny s SER 99 Cb 0.47 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.07 2eny s SER 99 CO 0.05 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2eny n GLY 100 N -0.89 -1.91 3.63 3.44 0.00 -1.26 -5.03 105.19 103.16 2eny n GLY 100 Ca -0.05 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.56 2eny n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eny s PRO 101 N -0.27 -0.43 -0.23 1.61 0.04 -1.26 -5.03 135.00 129.44 2eny s PRO 101 Ca 0.00 0.22 -0.09 0.00 0.04 0.00 0.00 61.00 61.17 2eny s PRO 101 Cb 0.00 -1.66 -0.11 0.00 0.04 0.00 0.00 34.50 32.77 2eny s PRO 101 CO 0.00 -3.24 -0.27 0.45 0.04 0.00 0.00 177.00 173.98 2eny n SER 102 N -4.48 1.75 0.03 6.66 2.88 -1.26 -4.69 113.62 114.51 2eny n SER 102 Ca 0.09 0.20 -0.13 0.00 -1.33 0.00 0.00 58.87 57.70 2eny n SER 102 Cb 0.58 -0.60 -0.09 0.00 -0.75 0.00 0.00 64.21 63.35 2eny n SER 102 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2eny h SER 103 N -0.65 -0.10 0.00 -3.46 0.87 -2.05 -3.56 113.55 104.60 2eny h SER 103 Ca -0.56 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 59.59 2eny h SER 103 Cb 1.55 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 2eny h SER 103 CO -0.30 0.39 0.00 0.61 -0.53 0.00 0.00 176.83 177.01