#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eeh s SER 2 N 0.00 -0.01 -0.21 1.61 0.15 -1.26 -5.10 113.70 108.88 2eeh s SER 2 Ca 0.00 0.03 -0.36 0.00 0.70 0.00 0.00 55.95 56.31 2eeh s SER 2 Cb 0.00 0.02 -0.13 0.00 -1.71 0.00 0.00 66.02 64.20 2eeh s SER 2 CO 0.00 -0.01 1.90 -1.20 1.20 0.00 0.00 173.24 175.13 2eeh n SER 3 N 3.16 2.82 0.00 5.45 7.64 -1.26 -4.82 113.62 126.61 2eeh n SER 3 Ca -0.13 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.64 2eeh n SER 3 Cb 0.59 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 2eeh n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eeh n GLY 4 N 4.77 3.04 3.61 0.23 0.00 -1.26 -5.18 105.19 110.41 2eeh n GLY 4 Ca 0.28 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 45.33 2eeh n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eeh s SER 5 N 0.00 -0.33 0.06 1.61 0.15 -1.26 -5.17 113.70 108.76 2eeh s SER 5 Ca 0.00 0.51 0.02 0.00 0.70 0.00 0.00 55.95 57.18 2eeh s SER 5 Cb 0.00 0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 64.74 2eeh s SER 5 CO 0.00 -0.20 0.08 -0.55 1.20 0.00 0.00 173.24 173.76 2eeh s SER 6 N -0.46 5.53 0.00 5.45 0.15 -1.26 -5.08 113.70 118.03 2eeh s SER 6 Ca 0.02 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2eeh s SER 6 Cb -0.03 -1.50 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 2eeh s SER 6 CO -0.04 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.20 2eeh n GLY 7 N 0.62 -1.13 3.77 9.45 0.00 -1.26 -5.15 105.19 111.48 2eeh n GLY 7 Ca -0.10 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 2eeh n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eeh s SER 8 N -4.00 5.44 0.57 1.61 0.01 -1.26 -4.78 113.70 111.30 2eeh s SER 8 Ca 0.00 2.21 0.00 0.00 1.31 0.00 0.00 55.95 59.47 2eeh s SER 8 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2eeh s SER 8 CO 0.00 -1.41 0.00 0.47 0.41 0.00 0.00 173.24 172.71 2eeh n ASP 9 N -1.59 -7.60 -4.17 2.44 9.92 -1.26 -5.01 116.55 109.28 2eeh n ASP 9 Ca 0.12 1.57 -0.12 0.00 -0.53 0.00 0.00 54.79 55.82 2eeh n ASP 9 Cb 0.51 -4.66 -0.10 0.00 -0.64 0.00 0.00 41.12 36.23 2eeh n ASP 9 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2eeh s ILE 10 N -4.79 0.81 -0.02 0.53 1.01 -0.04 -4.81 121.20 113.89 2eeh s ILE 10 Ca 0.00 -1.81 -0.12 0.00 0.00 0.00 0.00 60.65 58.72 2eeh s ILE 10 Cb 0.00 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.88 2eeh s ILE 10 CO 0.00 -0.74 0.34 -0.63 0.00 0.00 0.00 174.94 173.91 2eeh s ILE 11 N -3.10 5.16 -0.16 2.92 -1.09 -1.26 -2.06 121.20 121.61 2eeh s ILE 11 Ca 0.09 0.62 -0.04 0.00 -2.23 0.00 0.00 60.65 59.10 2eeh s ILE 11 Cb 0.02 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.24 2eeh s ILE 11 CO -0.02 0.55 -0.03 -1.00 -1.23 0.00 0.00 174.94 173.21 2eeh s HIS 12 N -1.11 3.04 -0.17 3.97 3.76 -0.69 -4.95 115.29 119.14 2eeh s HIS 12 Ca 0.23 -0.28 -0.15 0.00 -0.15 0.00 0.00 55.06 54.71 2eeh s HIS 12 Cb -0.15 -1.96 -0.04 0.00 1.11 0.00 0.00 32.58 31.53 2eeh s HIS 12 CO 0.12 -0.02 0.37 -1.12 -0.85 0.00 0.00 174.74 173.23 2eeh s SER 13 N 0.36 6.48 -0.01 1.40 0.01 -1.26 -3.51 113.70 117.17 2eeh s SER 13 Ca -0.04 0.57 -0.08 0.00 1.31 0.00 0.00 55.95 57.71 2eeh s SER 13 Cb -0.14 -2.22 0.01 0.00 0.21 0.00 0.00 66.02 63.88 2eeh s SER 13 CO 0.03 0.02 0.17 0.54 0.41 0.00 0.00 173.24 174.41 2eeh s VAL 14 N 0.80 0.07 -0.25 3.43 0.11 -1.23 -5.01 120.40 118.32 2eeh s VAL 14 Ca 0.19 -0.56 -0.00 0.00 -2.93 0.00 0.00 61.98 58.68 2eeh s VAL 14 Cb -0.14 -0.44 0.07 0.00 -1.53 0.00 0.00 36.38 34.34 2eeh s VAL 14 CO 0.07 -0.31 0.01 -0.13 -3.33 0.00 0.00 175.10 171.40 2eeh s ARG 15 N -1.18 1.19 -0.17 1.54 0.52 -1.26 -3.12 118.95 116.46 2eeh s ARG 15 Ca -0.13 -0.93 -0.09 0.00 -0.52 0.00 0.00 55.73 54.07 2eeh s ARG 15 Cb -0.06 -2.40 -0.05 0.00 0.52 0.00 0.00 34.95 32.96 2eeh s ARG 15 CO 0.02 -0.71 0.13 0.08 0.02 0.00 0.00 175.30 174.84 2eeh s VAL 16 N 1.52 5.41 0.37 3.52 1.01 -0.97 -4.57 120.40 126.68 2eeh s VAL 16 Ca -0.00 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.23 2eeh s VAL 16 Cb -0.18 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.77 2eeh s VAL 16 CO -0.10 0.50 0.49 -1.61 0.00 0.00 0.00 175.10 174.38 2eeh s GLU 17 N -0.09 2.95 0.11 2.72 2.02 -1.26 -1.48 118.70 123.66 2eeh s GLU 17 Ca 0.10 -1.15 -0.27 0.00 0.02 0.00 0.00 54.97 53.67 2eeh s GLU 17 Cb -0.11 -2.75 -0.06 0.00 0.10 0.00 0.00 34.13 31.30 2eeh s GLU 17 CO -0.00 -0.08 0.84 0.15 0.02 0.00 0.00 175.26 176.19 2eeh s LYS 18 N -4.23 4.61 0.06 1.61 1.02 -1.26 -4.84 119.74 116.71 2eeh s LYS 18 Ca 0.49 1.24 0.08 0.00 0.02 0.00 0.00 55.97 57.80 2eeh s LYS 18 Cb -0.09 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.85 2eeh s LYS 18 CO 0.31 0.34 -0.22 -1.12 -0.92 0.00 0.00 175.35 173.75 2eeh s SER 19 N -0.35 2.58 -0.50 2.83 0.01 -1.26 -5.07 113.70 111.95 2eeh s SER 19 Ca 0.41 -0.57 -0.28 0.00 1.31 0.00 0.00 55.95 56.82 2eeh s SER 19 Cb -0.22 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 65.81 2eeh s SER 19 CO 0.27 0.15 1.46 -2.16 0.41 0.00 0.00 173.24 173.37 2eeh s PRO 20 N -1.36 3.36 0.18 12.44 0.04 -1.26 -4.23 135.00 144.16 2eeh s PRO 20 Ca 0.08 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.81 2eeh s PRO 20 Cb -0.09 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.34 2eeh s PRO 20 CO 0.02 -1.85 0.00 0.00 0.04 0.00 0.00 177.00 175.21 2eeh n ALA 21 N 9.54 0.00 0.00 8.56 0.00 -1.26 -5.11 120.51 132.25 2eeh n ALA 21 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2eeh n ALA 21 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2eeh n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2eeh n GLY 22 N -1.20 -0.52 3.80 0.00 0.00 -1.26 -5.12 105.19 100.89 2eeh n GLY 22 Ca 0.00 0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 2eeh n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2eeh s ARG 23 N 0.00 4.14 0.92 1.61 0.52 -1.26 -4.98 118.95 119.90 2eeh s ARG 23 Ca 0.00 1.27 -0.17 0.00 -0.52 0.00 0.00 55.73 56.31 2eeh s ARG 23 Cb 0.00 -2.29 -0.13 0.00 0.52 0.00 0.00 34.95 33.05 2eeh s ARG 23 CO 0.00 -0.12 -0.57 1.28 0.02 0.00 0.00 175.30 175.91 2eeh n LEU 24 N -0.50 -5.03 0.00 2.53 7.99 -1.26 -4.73 117.00 116.00 2eeh n LEU 24 Ca 0.07 0.27 0.04 0.00 -0.01 0.00 0.00 56.01 56.38 2eeh n LEU 24 Cb 0.52 -0.82 0.20 0.00 -0.11 0.00 0.00 43.42 43.21 2eeh n LEU 24 CO 0.40 -5.59 0.62 0.61 -1.51 0.00 0.00 177.39 171.92 2eeh n GLY 25 N 3.14 -0.75 3.25 -0.72 0.00 -1.26 -4.65 105.19 104.20 2eeh n GLY 25 Ca 0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 2eeh n GLY 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2eeh s PHE 26 N -2.89 1.41 -0.20 1.61 -0.71 -1.26 -0.03 117.98 115.90 2eeh s PHE 26 Ca 0.05 -0.58 -0.06 0.00 -1.04 0.00 0.00 56.93 55.30 2eeh s PHE 26 Cb 0.06 -0.73 -0.03 0.00 -1.21 0.00 0.00 43.02 41.11 2eeh s PHE 26 CO 0.15 0.15 0.04 0.45 -1.34 0.00 0.00 175.22 174.68 2eeh s SER 27 N -2.60 5.21 0.04 1.98 0.15 0.75 -4.95 113.70 114.26 2eeh s SER 27 Ca 0.11 -0.09 0.03 0.00 0.70 0.00 0.00 55.95 56.70 2eeh s SER 27 Cb -0.04 -1.90 -0.04 0.00 -1.71 0.00 0.00 66.02 62.34 2eeh s SER 27 CO 0.03 0.09 -0.00 0.68 1.20 0.00 0.00 173.24 175.24 2eeh s VAL 28 N 0.85 4.06 0.20 4.45 -7.23 -1.26 0.12 120.40 121.59 2eeh s VAL 28 Ca 0.02 -0.77 0.08 0.00 -1.81 0.00 0.00 61.98 59.51 2eeh s VAL 28 Cb -0.14 -2.86 -0.04 0.00 0.56 0.00 0.00 36.38 33.90 2eeh s VAL 28 CO 0.02 0.27 -0.02 0.00 -0.31 0.00 0.00 175.10 175.07 2eeh s ARG 29 N -1.85 2.31 0.00 4.82 1.70 0.14 -4.85 118.95 121.22 2eeh s ARG 29 Ca 0.22 -1.22 0.00 0.00 -0.47 0.00 0.00 55.73 54.26 2eeh s ARG 29 Cb -0.12 -2.27 0.00 0.00 -0.57 0.00 0.00 34.95 32.00 2eeh s ARG 29 CO 0.13 0.42 0.00 0.41 -1.08 0.00 0.00 175.30 175.19 2eeh n GLY 30 N -0.32 0.13 0.00 3.88 0.00 -1.26 -3.41 105.19 104.21 2eeh n GLY 30 Ca -0.09 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.06 2eeh n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eeh n GLY 31 N 0.00 2.82 3.43 -0.02 0.00 -1.26 -4.87 105.19 105.29 2eeh n GLY 31 Ca 0.00 -0.75 -0.58 0.00 0.00 0.00 0.00 46.02 44.69 2eeh n GLY 31 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eeh n SER 32 N 1.31 0.03 -4.47 1.61 3.41 -1.26 -4.37 113.62 109.86 2eeh n SER 32 Ca 0.00 1.14 -0.47 0.00 -0.26 0.00 0.00 58.87 59.28 2eeh n SER 32 Cb 0.00 -0.90 -0.07 0.00 -0.26 0.00 0.00 64.21 62.98 2eeh n SER 32 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2eeh n GLU 33 N 1.54 1.00 0.12 4.33 2.13 -1.26 -4.47 120.64 124.02 2eeh n GLU 33 Ca 0.20 0.22 0.00 0.00 0.66 0.00 0.00 57.16 58.24 2eeh n GLU 33 Cb 0.07 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.23 2eeh n GLU 33 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2eeh n HIS 34 N 11.01 -2.47 0.00 4.31 8.25 -1.26 -5.09 115.22 129.96 2eeh n HIS 34 Ca 0.43 0.57 0.00 0.00 -0.26 0.00 0.00 57.72 58.45 2eeh n HIS 34 Cb 0.27 1.32 0.00 0.00 1.12 0.00 0.00 29.99 32.70 2eeh n HIS 34 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2eeh n GLY 35 N 0.56 0.78 3.47 -1.41 0.00 -1.26 -5.13 105.19 102.20 2eeh n GLY 35 Ca 0.00 0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 2eeh n GLY 35 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2eeh n LEU 36 N 0.00 -0.05 0.00 0.99 -0.00 -1.26 -4.33 117.00 112.35 2eeh n LEU 36 Ca 0.00 1.09 0.00 0.00 -0.00 0.00 0.00 56.01 57.10 2eeh n LEU 36 Cb 0.00 -1.10 0.00 0.00 -0.00 0.00 0.00 43.42 42.32 2eeh n LEU 36 CO 0.00 -2.49 0.00 0.61 -0.00 0.00 0.00 177.39 175.51 2eeh n GLY 37 N 1.71 0.15 3.73 1.47 0.00 -1.26 -4.78 105.19 106.21 2eeh n GLY 37 Ca 0.13 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 2eeh n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2eeh s ILE 38 N 0.00 5.10 -0.00 -0.61 -1.09 -1.18 -4.59 121.20 118.83 2eeh s ILE 38 Ca 0.00 0.07 0.05 0.00 -2.23 0.00 0.00 60.65 58.54 2eeh s ILE 38 Cb 0.00 -3.27 -0.01 0.00 -1.58 0.00 0.00 42.46 37.60 2eeh s ILE 38 CO 0.00 0.51 -0.15 -0.36 -1.23 0.00 0.00 174.94 173.72 2eeh s PHE 39 N -0.13 1.29 0.43 3.97 0.40 -1.22 -0.43 117.98 122.30 2eeh s PHE 39 Ca 0.09 -0.26 -0.21 0.00 -0.60 0.00 0.00 56.93 55.94 2eeh s PHE 39 Cb -0.12 -0.82 -0.10 0.00 0.51 0.00 0.00 43.02 42.49 2eeh s PHE 39 CO 0.01 -0.01 0.98 0.08 0.70 0.00 0.00 175.22 176.98 2eeh s VAL 40 N -0.43 4.14 0.00 -0.44 1.01 0.13 0.24 120.40 125.06 2eeh s VAL 40 Ca 0.05 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.43 2eeh s VAL 40 Cb -0.06 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.72 2eeh s VAL 40 CO -0.00 -0.23 0.00 -1.54 0.00 0.00 0.00 175.10 173.33 2eeh n SER 41 N -0.59 2.15 -3.97 3.32 3.41 0.31 -3.97 113.62 114.28 2eeh n SER 41 Ca 0.07 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.59 2eeh n SER 41 Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 2eeh n SER 41 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2eeh s LYS 42 N -1.80 1.45 -0.20 4.33 2.20 -0.94 -4.68 119.74 120.11 2eeh s LYS 42 Ca 0.00 -1.21 -0.04 0.00 -0.36 0.00 0.00 55.97 54.36 2eeh s LYS 42 Cb 0.00 0.45 0.09 0.00 -1.51 0.00 0.00 37.83 36.86 2eeh s LYS 42 CO 0.00 -0.59 0.18 0.08 -0.36 0.00 0.00 175.35 174.66 2eeh s VAL 43 N -4.00 -0.25 0.18 4.02 1.01 -1.26 -0.18 120.40 119.91 2eeh s VAL 43 Ca 0.21 -0.17 -0.31 0.00 0.00 0.00 0.00 61.98 61.71 2eeh s VAL 43 Cb 0.00 -0.67 -0.17 0.00 0.00 0.00 0.00 36.38 35.54 2eeh s VAL 43 CO 0.06 -0.26 0.83 1.21 0.00 0.00 0.00 175.10 176.94 2eeh n GLU 44 N 5.30 0.48 -1.87 2.72 2.13 0.95 -4.87 120.64 125.49 2eeh n GLU 44 Ca -0.06 0.17 -0.35 0.00 0.66 0.00 0.00 57.16 57.59 2eeh n GLU 44 Cb 0.49 -1.42 0.04 0.00 0.27 0.00 0.00 31.44 30.83 2eeh n GLU 44 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2eeh s GLU 45 N -0.82 2.82 -1.67 5.31 8.01 -1.26 -3.07 118.70 128.02 2eeh s GLU 45 Ca 0.69 1.65 -0.14 0.00 0.01 0.00 0.00 54.97 57.17 2eeh s GLU 45 Cb -0.92 -1.93 0.13 0.00 -4.31 0.00 0.00 34.13 27.09 2eeh s GLU 45 CO 0.56 -1.28 0.63 0.41 0.01 0.00 0.00 175.26 175.59 2eeh n GLY 46 N 0.13 -0.37 3.87 -1.39 0.00 -1.26 -4.93 105.19 101.23 2eeh n GLY 46 Ca 0.12 0.13 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 2eeh n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eeh s SER 47 N -3.57 4.83 0.34 1.61 1.04 -1.17 -5.02 113.70 111.76 2eeh s SER 47 Ca 0.56 -0.96 0.13 0.00 0.48 0.00 0.00 55.95 56.16 2eeh s SER 47 Cb -0.31 -0.21 0.61 0.00 0.10 0.00 0.00 66.02 66.21 2eeh s SER 47 CO 0.94 -0.81 1.75 0.28 0.98 0.00 0.00 173.24 176.38 2eeh h SER 48 N 0.96 0.00 0.07 7.02 0.02 -1.88 -2.75 113.55 116.99 2eeh h SER 48 Ca -0.40 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2eeh h SER 48 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2eeh h SER 48 CO 0.58 0.45 -0.03 0.00 -1.14 0.00 0.00 176.83 176.69 2eeh h ALA 49 N 1.55 -0.77 -0.99 3.77 0.00 -1.87 1.48 119.26 122.44 2eeh h ALA 49 Ca -0.00 -0.02 0.37 0.00 0.00 0.00 0.00 54.91 55.25 2eeh h ALA 49 Cb 0.81 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.47 2eeh h ALA 49 CO 0.06 -0.76 0.45 1.49 0.00 0.00 0.00 179.25 180.49 2eeh h GLU 50 N -0.12 0.08 -0.02 0.00 4.81 -1.55 1.49 114.58 119.27 2eeh h GLU 50 Ca -0.01 -0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.96 2eeh h GLU 50 Cb 0.07 -0.02 0.02 0.00 0.63 0.00 0.00 28.75 29.45 2eeh h GLU 50 CO 0.02 0.05 -1.00 0.00 -0.73 0.00 0.00 179.01 177.35 2eeh h ARG 51 N 0.08 0.70 0.00 1.92 3.08 -1.42 -3.04 114.38 115.69 2eeh h ARG 51 Ca 0.77 -0.72 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 2eeh h ARG 51 Cb 1.92 0.20 -0.00 0.00 0.08 0.00 0.00 29.97 32.16 2eeh h ARG 51 CO -0.75 1.30 -0.09 0.00 -1.07 0.00 0.00 179.97 179.36 2eeh h ALA 52 N 0.45 1.30 0.00 0.04 0.00 1.21 -3.45 119.26 118.82 2eeh h ALA 52 Ca -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2eeh h ALA 52 Cb 1.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2eeh h ALA 52 CO 0.20 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.97 2eeh n GLY 53 N -0.78 1.01 3.70 0.00 0.00 0.27 -4.20 105.19 105.19 2eeh n GLY 53 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2eeh n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2eeh s LEU 54 N 0.00 4.29 -0.01 0.99 2.96 0.17 -4.93 118.68 122.15 2eeh s LEU 54 Ca 0.00 1.43 -0.16 0.00 -0.22 0.00 0.00 54.13 55.18 2eeh s LEU 54 Cb 0.00 -3.39 0.03 0.00 0.50 0.00 0.00 46.19 43.32 2eeh s LEU 54 CO 0.00 -0.30 0.33 0.00 -1.32 0.00 0.00 176.35 175.06 2eeh n VAL 56 N 1.22 2.84 0.00 0.00 3.14 -1.26 -3.33 118.33 120.94 2eeh n VAL 56 Ca -0.21 -0.43 0.00 0.00 -2.96 0.00 0.00 64.34 60.74 2eeh n VAL 56 Cb 0.56 -1.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.35 2eeh n VAL 56 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2eeh n GLY 57 N 1.34 0.47 3.85 7.55 0.00 -1.25 -4.99 105.19 112.15 2eeh n GLY 57 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 2eeh n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2eeh s ASP 58 N -2.32 5.59 -0.21 1.61 1.11 -1.21 -4.99 116.67 116.25 2eeh s ASP 58 Ca 0.00 -0.25 -0.01 0.00 0.18 0.00 0.00 52.55 52.47 2eeh s ASP 58 Cb 0.00 -1.39 0.06 0.00 1.07 0.00 0.00 42.92 42.66 2eeh s ASP 58 CO 0.00 -0.10 -0.03 -0.75 1.18 0.00 0.00 175.17 175.47 2eeh s LYS 59 N -3.89 1.32 -0.29 8.23 2.20 -1.26 -0.69 119.74 125.35 2eeh s LYS 59 Ca 0.34 -0.73 -0.29 0.00 -0.36 0.00 0.00 55.97 54.94 2eeh s LYS 59 Cb -0.08 -2.33 -0.01 0.00 -1.51 0.00 0.00 37.83 33.91 2eeh s LYS 59 CO 0.26 -0.57 1.47 0.42 -0.36 0.00 0.00 175.35 176.57 2eeh s ILE 60 N 1.58 3.89 -0.11 5.43 1.01 0.43 -3.58 121.20 129.85 2eeh s ILE 60 Ca -0.03 0.98 0.22 0.00 0.00 0.00 0.00 60.65 61.83 2eeh s ILE 60 Cb -0.18 -3.96 -0.23 0.00 0.01 0.00 0.00 42.46 38.10 2eeh s ILE 60 CO -0.07 -0.45 0.66 0.35 0.00 0.00 0.00 174.94 175.43 2eeh n THR 61 N 6.50 0.19 -3.50 2.92 -2.24 -0.21 -3.10 114.28 114.84 2eeh n THR 61 Ca 0.17 -0.51 -0.15 0.00 -2.27 0.00 0.00 64.05 61.30 2eeh n THR 61 Cb 0.46 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.56 2eeh n THR 61 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2eeh s GLU 62 N -3.47 1.14 -0.27 -0.78 2.12 -1.06 -2.24 118.70 114.13 2eeh s GLU 62 Ca -0.05 -0.13 -0.23 0.00 0.36 0.00 0.00 54.97 54.91 2eeh s GLU 62 Cb 0.13 0.53 0.07 0.00 0.26 0.00 0.00 34.13 35.12 2eeh s GLU 62 CO 0.87 -0.43 0.72 0.54 -0.54 0.00 0.00 175.26 176.43 2eeh s VAL 63 N -2.46 0.00 -1.43 3.70 0.11 0.26 0.58 120.40 121.16 2eeh s VAL 63 Ca -0.05 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 2eeh s VAL 63 Cb -0.01 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 2eeh s VAL 63 CO -0.01 0.00 0.00 -3.20 -3.33 0.00 0.00 175.10 168.56 2eeh n ASN 64 N 3.01 -5.64 0.00 3.54 2.85 -0.66 -0.42 115.26 117.94 2eeh n ASN 64 Ca -0.15 0.33 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 2eeh n ASN 64 Cb 0.56 -4.36 0.00 0.00 1.24 0.00 0.00 39.78 37.22 2eeh n ASN 64 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2eeh n GLY 65 N 0.10 3.06 3.73 8.20 0.00 -1.26 -5.02 105.19 114.00 2eeh n GLY 65 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2eeh n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2eeh s LEU 66 N 0.00 4.47 0.22 0.99 1.43 0.43 -5.02 118.68 121.20 2eeh s LEU 66 Ca 0.00 1.92 -0.24 0.00 -1.03 0.00 0.00 54.13 54.78 2eeh s LEU 66 Cb 0.00 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.54 2eeh s LEU 66 CO 0.00 -0.19 0.81 -0.44 0.23 0.00 0.00 176.35 176.75 2eeh s SER 67 N 0.18 7.30 -0.21 2.29 0.01 -1.26 -0.58 113.70 121.43 2eeh s SER 67 Ca 0.50 1.64 0.11 0.00 1.31 0.00 0.00 55.95 59.51 2eeh s SER 67 Cb -0.26 -2.50 0.43 0.00 0.21 0.00 0.00 66.02 63.90 2eeh s SER 67 CO 0.31 0.10 1.21 0.18 0.41 0.00 0.00 173.24 175.45 2eeh n LEU 68 N 1.12 2.97 0.12 2.44 4.77 -0.95 -4.66 117.00 122.80 2eeh n LEU 68 Ca -0.03 -3.92 0.13 0.00 -0.03 0.00 0.00 56.01 52.16 2eeh n LEU 68 Cb 0.50 -0.45 0.40 0.00 -2.33 0.00 0.00 43.42 41.54 2eeh n LEU 68 CO 0.45 1.47 0.88 -0.33 -1.33 0.00 0.00 177.39 178.53 2eeh h GLU 69 N 1.23 0.00 -0.34 3.23 5.08 -1.88 -3.17 114.58 118.72 2eeh h GLU 69 Ca 0.05 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.14 2eeh h GLU 69 Cb 1.15 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.17 2eeh h GLU 69 CO 0.14 0.00 -0.64 0.43 -1.00 0.00 0.00 179.01 177.94 2eeh n SER 70 N -2.32 -0.78 -4.22 1.42 7.64 -1.26 -4.05 113.62 110.04 2eeh n SER 70 Ca 0.05 -2.55 -0.14 0.00 1.01 0.00 0.00 58.87 57.24 2eeh n SER 70 Cb 0.41 0.50 -0.10 0.00 -1.01 0.00 0.00 64.21 64.01 2eeh n SER 70 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2eeh s THR 71 N -0.92 1.06 0.87 0.44 2.01 -1.26 -5.10 115.64 112.74 2eeh s THR 71 Ca 0.24 -1.95 -0.12 0.00 0.31 0.00 0.00 61.69 60.17 2eeh s THR 71 Cb 0.42 -1.72 0.11 0.00 0.01 0.00 0.00 72.50 71.32 2eeh s THR 71 CO -0.05 -0.72 1.14 0.28 -0.69 0.00 0.00 174.62 174.58 2eeh s THR 72 N -3.16 2.21 -0.04 -0.82 -1.32 -1.26 -4.86 115.64 106.39 2eeh s THR 72 Ca 0.14 0.07 -0.17 0.00 -1.21 0.00 0.00 61.69 60.51 2eeh s THR 72 Cb 0.02 -2.87 -0.10 0.00 -1.51 0.00 0.00 72.50 68.03 2eeh s THR 72 CO -0.00 -0.09 0.71 -0.03 -2.21 0.00 0.00 174.62 173.00 2eeh h MET 73 N -1.33 -0.48 -0.04 7.08 4.05 -1.90 -3.14 114.93 119.18 2eeh h MET 73 Ca -0.49 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 2eeh h MET 73 Cb 1.32 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 32.22 2eeh h MET 73 CO 0.62 -0.25 -0.02 0.41 0.23 0.00 0.00 176.91 177.90 2eeh n GLY 74 N 0.38 -2.89 0.38 1.39 0.00 -1.26 0.45 105.19 103.64 2eeh n GLY 74 Ca -0.07 0.57 -0.10 0.00 0.00 0.00 0.00 46.02 46.42 2eeh n GLY 74 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2eeh n SER 75 N -3.03 -0.96 -0.14 1.61 2.88 -1.26 0.19 113.62 112.92 2eeh n SER 75 Ca 0.00 1.66 -0.06 0.00 -1.33 0.00 0.00 58.87 59.14 2eeh n SER 75 Cb 0.01 -0.23 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 2eeh n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2eeh h ALA 76 N 0.41 -0.04 0.44 -1.46 0.00 -1.02 0.41 119.26 118.00 2eeh h ALA 76 Ca 0.15 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2eeh h ALA 76 Cb 0.37 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2eeh h ALA 76 CO -0.85 -0.65 -0.37 0.28 0.00 0.00 0.00 179.25 177.65 2eeh h VAL 77 N -0.19 0.24 -1.11 0.00 2.07 0.51 0.59 116.25 118.36 2eeh h VAL 77 Ca 0.20 0.00 0.41 0.00 0.82 0.00 0.00 66.70 68.13 2eeh h VAL 77 Cb 0.51 0.24 -0.16 0.00 -1.52 0.00 0.00 31.29 30.36 2eeh h VAL 77 CO -0.56 0.00 0.65 0.50 0.02 0.00 0.00 177.57 178.18 2eeh h LYS 78 N -0.82 0.07 0.05 1.57 3.64 0.32 1.90 116.57 123.31 2eeh h LYS 78 Ca -0.04 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.17 2eeh h LYS 78 Cb 0.71 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.53 2eeh h LYS 78 CO -0.02 0.05 -0.68 0.28 -2.27 0.00 0.00 179.45 176.81 2eeh h VAL 79 N 0.07 1.46 -0.87 2.00 2.07 0.32 -2.69 116.25 118.62 2eeh h VAL 79 Ca 0.83 -2.25 0.04 0.00 0.82 0.00 0.00 66.70 66.14 2eeh h VAL 79 Cb 2.29 2.82 -0.05 0.00 -1.52 0.00 0.00 31.29 34.83 2eeh h VAL 79 CO -0.64 0.65 0.56 -0.07 0.02 0.00 0.00 177.57 178.09 2eeh h LEU 80 N -0.21 0.93 -0.13 2.57 3.38 0.73 0.28 115.31 122.86 2eeh h LEU 80 Ca -0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2eeh h LEU 80 Cb 1.43 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2eeh h LEU 80 CO 0.13 0.63 0.00 1.07 0.09 0.00 0.00 178.44 180.37 2eeh n THR 81 N -4.54 0.03 -3.73 0.22 5.66 0.54 -4.29 114.28 108.16 2eeh n THR 81 Ca 0.11 -0.04 -0.29 0.00 -3.05 0.00 0.00 64.05 60.78 2eeh n THR 81 Cb 0.10 -0.17 -0.12 0.00 -1.55 0.00 0.00 70.33 68.58 2eeh n THR 81 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2eeh s SER 82 N -1.47 3.64 0.00 1.09 0.15 0.97 -5.02 113.70 113.06 2eeh s SER 82 Ca 0.23 -3.08 0.00 0.00 0.70 0.00 0.00 55.95 53.80 2eeh s SER 82 Cb 0.11 -1.15 0.00 0.00 -1.71 0.00 0.00 66.02 63.27 2eeh s SER 82 CO 0.18 -0.20 0.00 -1.20 1.20 0.00 0.00 173.24 173.22 2eeh n SER 83 N 2.94 0.00 -1.31 5.45 7.64 -1.26 -4.81 113.62 122.28 2eeh n SER 83 Ca 0.15 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.13 2eeh n SER 83 Cb 0.37 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 63.87 2eeh n SER 83 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2eeh n SER 84 N 0.00 3.84 -2.87 6.43 2.88 -1.26 -4.37 113.62 118.26 2eeh n SER 84 Ca 0.00 -2.18 0.01 0.00 -1.33 0.00 0.00 58.87 55.37 2eeh n SER 84 Cb 0.00 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 2eeh n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2eeh s ARG 85 N -1.45 0.36 0.26 -1.46 3.03 -1.26 -4.65 118.95 113.77 2eeh s ARG 85 Ca 0.44 -0.14 -0.20 0.00 2.03 0.00 0.00 55.73 57.87 2eeh s ARG 85 Cb 0.26 0.04 -0.09 0.00 -1.03 0.00 0.00 34.95 34.13 2eeh s ARG 85 CO 0.26 -0.51 0.76 -0.51 -1.13 0.00 0.00 175.30 174.17 2eeh s LEU 86 N 1.86 4.28 -0.44 -1.89 1.43 -0.55 -4.94 118.68 118.43 2eeh s LEU 86 Ca 0.16 1.45 0.02 0.00 -1.03 0.00 0.00 54.13 54.73 2eeh s LEU 86 Cb 0.02 -3.76 0.13 0.00 0.03 0.00 0.00 46.19 42.61 2eeh s LEU 86 CO -0.12 -0.04 0.23 -1.00 0.23 0.00 0.00 176.35 175.65 2eeh s HIS 87 N -1.64 2.16 0.23 0.29 3.76 -1.26 -2.30 115.29 116.53 2eeh s HIS 87 Ca 0.47 -2.51 -0.12 0.00 -0.15 0.00 0.00 55.06 52.75 2eeh s HIS 87 Cb -0.15 -2.03 -0.08 0.00 1.11 0.00 0.00 32.58 31.43 2eeh s HIS 87 CO 0.20 -0.78 0.59 -1.64 -0.85 0.00 0.00 174.74 172.26 2eeh s MET 88 N 0.34 3.88 -0.19 1.40 -1.94 -1.18 -1.66 119.30 119.95 2eeh s MET 88 Ca 0.17 0.40 -0.01 0.00 -1.71 0.00 0.00 55.69 54.54 2eeh s MET 88 Cb -0.24 -2.66 0.05 0.00 2.01 0.00 0.00 34.83 33.99 2eeh s MET 88 CO -0.01 0.31 -0.03 -1.64 -0.01 0.00 0.00 175.02 173.64 2eeh s MET 89 N -2.69 1.29 0.22 2.03 -1.94 0.20 -3.51 119.30 114.90 2eeh s MET 89 Ca 0.47 -0.62 0.05 0.00 -1.71 0.00 0.00 55.69 53.88 2eeh s MET 89 Cb -0.12 -2.18 -0.03 0.00 2.01 0.00 0.00 34.83 34.51 2eeh s MET 89 CO 0.20 -0.53 0.28 0.14 -0.01 0.00 0.00 175.02 175.10 2eeh s VAL 90 N 1.62 4.95 -0.28 -6.03 -7.23 -1.23 -1.05 120.40 111.16 2eeh s VAL 90 Ca -0.02 -1.07 0.02 0.00 -1.81 0.00 0.00 61.98 59.11 2eeh s VAL 90 Cb -0.17 -3.65 0.06 0.00 0.56 0.00 0.00 36.38 33.19 2eeh s VAL 90 CO -0.07 -0.27 -0.07 -0.13 -0.31 0.00 0.00 175.10 174.25 2eeh s ARG 91 N -3.72 2.23 0.17 4.82 0.52 -1.24 -1.71 118.95 120.03 2eeh s ARG 91 Ca 0.33 -1.37 0.11 0.00 -0.52 0.00 0.00 55.73 54.28 2eeh s ARG 91 Cb -0.09 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.35 2eeh s ARG 91 CO 0.27 -0.61 -0.25 0.50 0.02 0.00 0.00 175.30 175.23 2eeh s ARG 92 N 1.12 1.46 -0.70 3.54 3.52 -0.87 -4.83 118.95 122.19 2eeh s ARG 92 Ca -0.07 -1.45 -0.26 0.00 -0.13 0.00 0.00 55.73 53.82 2eeh s ARG 92 Cb -0.20 -1.84 0.00 0.00 -1.56 0.00 0.00 34.95 31.35 2eeh s ARG 92 CO -0.04 0.41 1.60 -1.64 -0.81 0.00 0.00 175.30 174.83 2eeh s MET 93 N -2.42 2.90 -0.37 5.12 -1.94 -1.26 -0.86 119.30 120.47 2eeh s MET 93 Ca 0.18 0.13 -0.32 0.00 -1.71 0.00 0.00 55.69 53.97 2eeh s MET 93 Cb -0.09 -4.38 -0.10 0.00 2.01 0.00 0.00 34.83 32.28 2eeh s MET 93 CO 0.08 -2.50 2.25 0.41 -0.01 0.00 0.00 175.02 175.25 2eeh n GLY 94 N 5.67 0.52 1.73 -0.03 0.00 -1.26 -4.24 105.19 107.58 2eeh n GLY 94 Ca 0.15 0.88 0.00 0.00 0.00 0.00 0.00 46.02 47.05 2eeh n GLY 94 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eeh n SER 95 N 10.95 -8.61 0.00 1.61 7.64 -1.26 -4.92 113.62 119.03 2eeh n SER 95 Ca 0.40 1.22 0.00 0.00 1.01 0.00 0.00 58.87 61.49 2eeh n SER 95 Cb 0.30 -4.48 0.00 0.00 -1.01 0.00 0.00 64.21 59.02 2eeh n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2eeh n GLY 96 N 0.70 0.41 3.78 0.23 0.00 -1.26 -5.09 105.19 103.96 2eeh n GLY 96 Ca 0.00 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.08 2eeh n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eeh s PRO 97 N -1.19 0.75 0.08 1.61 0.04 -1.26 -5.04 135.00 129.99 2eeh s PRO 97 Ca 0.00 0.14 -0.00 0.00 0.04 0.00 0.00 61.00 61.18 2eeh s PRO 97 Cb 0.00 -1.81 -0.00 0.00 0.04 0.00 0.00 34.50 32.73 2eeh s PRO 97 CO 0.00 -2.44 -0.00 0.45 0.04 0.00 0.00 177.00 175.05 2eeh n SER 98 N -3.90 0.97 -3.76 6.66 2.88 -1.26 -4.79 113.62 110.41 2eeh n SER 98 Ca 0.09 0.12 -0.30 0.00 -1.33 0.00 0.00 58.87 57.45 2eeh n SER 98 Cb 0.59 -0.30 -0.14 0.00 -0.75 0.00 0.00 64.21 63.62 2eeh n SER 98 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2eeh s SER 99 N -5.85 3.87 0.00 -3.46 0.15 -1.26 -5.01 113.70 102.14 2eeh s SER 99 Ca -0.00 -2.43 0.28 0.00 0.70 0.00 0.00 55.95 54.49 2eeh s SER 99 Cb 0.00 -1.10 0.99 0.00 -1.71 0.00 0.00 66.02 64.20 2eeh s SER 99 CO 0.01 -0.30 1.71 0.61 1.20 0.00 0.00 173.24 176.46