#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2npl s SER 2 N 0.00 6.31 -0.29 1.61 0.01 -1.26 -4.99 113.70 115.09 2npl s SER 2 Ca 0.00 3.08 0.00 0.00 1.31 0.00 0.00 55.95 60.34 2npl s SER 2 Cb 0.00 -2.67 0.06 0.00 0.21 0.00 0.00 66.02 63.62 2npl s SER 2 CO 0.00 -0.90 -0.02 -0.44 0.41 0.00 0.00 173.24 172.29 2npl s SER 3 N -0.12 4.75 0.00 2.44 0.01 -1.26 -4.68 113.70 114.84 2npl s SER 3 Ca 0.53 -1.41 0.00 0.00 1.31 0.00 0.00 55.95 56.38 2npl s SER 3 Cb -0.47 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.10 2npl s SER 3 CO 0.64 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.64 2npl n GLY 4 N 4.53 3.00 2.90 3.44 0.00 -0.62 -4.85 105.19 113.59 2npl n GLY 4 Ca -0.12 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 2npl n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2npl s ALA 5 N -2.92 0.72 -0.22 4.61 0.00 -1.26 -1.26 121.76 121.43 2npl s ALA 5 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 51.89 2npl s ALA 5 Cb 0.00 -0.43 0.05 0.00 0.00 0.00 0.00 23.12 22.74 2npl s ALA 5 CO 0.00 -0.00 -0.08 0.50 0.00 0.00 0.00 175.76 176.18 2npl s ARG 6 N 0.89 1.85 -0.02 0.00 3.52 -0.52 -4.73 118.95 119.93 2npl s ARG 6 Ca -0.12 -0.94 -0.00 0.00 -0.13 0.00 0.00 55.73 54.54 2npl s ARG 6 Cb -0.14 -2.52 0.03 0.00 -1.56 0.00 0.00 34.95 30.75 2npl s ARG 6 CO 0.00 -0.52 0.04 0.00 -0.81 0.00 0.00 175.30 174.02 2npl s TYR 8 N 1.19 -0.17 -0.00 0.00 1.13 -1.01 -4.99 117.35 113.50 2npl s TYR 8 Ca -0.08 0.02 0.01 0.00 -1.41 0.00 0.00 57.07 55.61 2npl s TYR 8 Cb -0.13 0.56 -0.00 0.00 -1.10 0.00 0.00 41.96 41.29 2npl s TYR 8 CO -0.03 -0.48 -0.03 0.08 -2.51 0.00 0.00 175.55 172.58 2npl s VAL 9 N -2.85 0.21 -0.38 -3.49 1.01 -1.26 -2.29 120.40 111.35 2npl s VAL 9 Ca 0.10 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.99 2npl s VAL 9 Cb 0.00 -0.18 0.11 0.00 0.00 0.00 0.00 36.38 36.31 2npl s VAL 9 CO -0.04 0.06 0.12 -1.81 0.00 0.00 0.00 175.10 173.42 2npl s ASP 10 N -0.07 4.45 -0.21 3.32 1.01 0.15 -4.97 116.67 120.37 2npl s ASP 10 Ca 0.01 -2.28 -0.06 0.00 0.71 0.00 0.00 52.55 50.93 2npl s ASP 10 Cb -0.01 -1.45 0.10 0.00 1.01 0.00 0.00 42.92 42.57 2npl s ASP 10 CO -0.00 -0.35 0.42 -0.83 0.21 0.00 0.00 175.17 174.62 2npl s GLY 11 N 0.75 -0.38 -0.29 0.21 0.00 -1.26 0.13 107.32 106.47 2npl s GLY 11 Ca 0.13 1.46 -0.11 0.00 0.00 0.00 0.00 44.72 46.19 2npl s GLY 11 CO -0.09 2.47 0.19 -0.56 0.00 0.00 0.00 173.10 175.11 2npl s SER 12 N 2.62 5.96 -0.39 1.64 0.01 0.35 -4.41 113.70 119.47 2npl s SER 12 Ca 0.00 -0.14 -0.27 0.00 1.31 0.00 0.00 55.95 56.85 2npl s SER 12 Cb -0.12 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 63.95 2npl s SER 12 CO -0.13 -0.10 2.16 -1.61 0.41 0.00 0.00 173.24 173.97 2npl s GLU 13 N 1.74 2.72 -0.14 12.44 8.01 -0.53 -3.51 118.70 139.42 2npl s GLU 13 Ca 0.07 1.49 -0.28 0.00 0.01 0.00 0.00 54.97 56.26 2npl s GLU 13 Cb -0.16 -4.42 0.07 0.00 -4.31 0.00 0.00 34.13 25.30 2npl s GLU 13 CO 0.10 -2.58 0.68 -1.21 0.01 0.00 0.00 175.26 172.26 2npl s GLU 14 N 7.02 0.95 -0.62 1.61 2.02 -0.89 -4.08 118.70 124.72 2npl s GLU 14 Ca 0.91 0.55 -0.26 0.00 0.02 0.00 0.00 54.97 56.20 2npl s GLU 14 Cb -0.22 0.45 -0.10 0.00 0.10 0.00 0.00 34.13 34.36 2npl s GLU 14 CO 0.29 -0.23 2.43 -0.89 0.02 0.00 0.00 175.26 176.88 2npl n ILE 15 N 1.67 -0.06 -1.28 -1.63 5.41 -0.71 0.35 119.36 123.13 2npl n ILE 15 Ca -0.17 -0.67 0.00 0.00 1.00 0.00 0.00 62.75 62.91 2npl n ILE 15 Cb 0.56 -2.40 0.00 0.00 -0.71 0.00 0.00 39.64 37.09 2npl n ILE 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2npl n GLY 16 N 6.27 1.02 0.00 7.39 0.00 0.09 -4.91 105.19 115.05 2npl n GLY 16 Ca 0.42 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2npl n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2npl n SER 17 N 0.91 0.00 -4.40 1.61 2.88 0.16 -4.81 113.62 109.97 2npl n SER 17 Ca 0.00 -0.58 -0.33 0.00 -1.33 0.00 0.00 58.87 56.63 2npl n SER 17 Cb 0.27 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.59 2npl n SER 17 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2npl s ASP 18 N -1.00 4.18 0.26 -3.46 -1.08 -1.23 -2.72 116.67 111.62 2npl s ASP 18 Ca 0.00 -0.28 0.11 0.00 -0.52 0.00 0.00 52.55 51.85 2npl s ASP 18 Cb 0.00 -1.65 -0.05 0.00 -1.46 0.00 0.00 42.92 39.77 2npl s ASP 18 CO 0.00 0.17 -0.11 -0.36 0.52 0.00 0.00 175.17 175.38 2npl s PHE 19 N 0.34 2.49 -0.29 -5.34 0.08 -0.93 -0.49 117.98 113.83 2npl s PHE 19 Ca -0.09 -0.28 -0.22 0.00 0.12 0.00 0.00 56.93 56.46 2npl s PHE 19 Cb -0.16 -1.11 0.18 0.00 -0.57 0.00 0.00 43.02 41.36 2npl s PHE 19 CO 0.05 0.64 1.29 0.15 -0.10 0.00 0.00 175.22 177.26 2npl s LYS 20 N -3.44 0.16 0.02 0.44 1.02 0.34 -2.74 119.74 115.54 2npl s LYS 20 Ca 0.29 0.21 0.04 0.00 0.02 0.00 0.00 55.97 56.54 2npl s LYS 20 Cb -0.06 0.07 -0.02 0.00 -0.52 0.00 0.00 37.83 37.30 2npl s LYS 20 CO 0.17 -0.02 -0.12 0.42 -0.92 0.00 0.00 175.35 174.88 2npl s ILE 21 N 0.41 0.91 -0.02 2.17 1.01 0.54 0.35 121.20 126.56 2npl s ILE 21 Ca 0.02 -0.81 -0.00 0.00 0.00 0.00 0.00 60.65 59.86 2npl s ILE 21 Cb -0.04 -0.82 0.03 0.00 0.01 0.00 0.00 42.46 41.63 2npl s ILE 21 CO -0.13 0.02 0.03 -0.54 0.00 0.00 0.00 174.94 174.33 2npl s LYS 22 N -0.88 -0.04 -0.24 2.79 1.02 -0.97 0.14 119.74 121.55 2npl s LYS 22 Ca 0.01 0.21 -0.03 0.00 0.02 0.00 0.00 55.97 56.18 2npl s LYS 22 Cb -0.07 -0.28 0.13 0.00 -0.52 0.00 0.00 37.83 37.10 2npl s LYS 22 CO 0.01 -0.19 0.41 0.00 -0.92 0.00 0.00 175.35 174.66 2npl s GLU 24 N 2.59 0.51 -0.57 0.00 2.02 -0.59 -2.07 118.70 120.59 2npl s GLU 24 Ca 0.12 0.10 -0.20 0.00 0.02 0.00 0.00 54.97 55.01 2npl s GLU 24 Cb -0.15 -0.82 0.08 0.00 0.10 0.00 0.00 34.13 33.34 2npl s GLU 24 CO -0.16 -0.25 0.72 -1.25 0.02 0.00 0.00 175.26 174.35 2npl s PRO 25 N 1.69 3.09 -0.57 0.39 0.04 -1.26 -1.44 135.00 136.93 2npl s PRO 25 Ca 0.00 -1.09 0.03 0.00 0.04 0.00 0.00 61.00 59.98 2npl s PRO 25 Cb -0.13 -4.20 0.14 0.00 0.04 0.00 0.00 34.50 30.35 2npl s PRO 25 CO -0.04 -1.48 0.33 0.15 0.04 0.00 0.00 177.00 176.00 2npl s LYS 26 N 2.89 2.15 -0.63 4.56 -0.14 -0.39 -4.16 119.74 124.03 2npl s LYS 26 Ca 0.15 -2.78 -0.07 0.00 -1.36 0.00 0.00 55.97 51.90 2npl s LYS 26 Cb -0.21 -3.39 0.16 0.00 -1.68 0.00 0.00 37.83 32.71 2npl s LYS 26 CO 0.09 -1.15 0.49 -2.00 -0.76 0.00 0.00 175.35 172.01 2npl s GLU 27 N -0.53 2.78 0.00 1.68 2.12 -1.25 -1.59 118.70 121.90 2npl s GLU 27 Ca 0.19 -2.28 0.00 0.00 0.36 0.00 0.00 54.97 53.24 2npl s GLU 27 Cb -0.21 -3.95 0.00 0.00 0.26 0.00 0.00 34.13 30.23 2npl s GLU 27 CO -0.04 -1.21 0.00 0.41 -0.54 0.00 0.00 175.26 173.89 2npl n GLY 28 N 4.04 0.12 3.42 -1.50 0.00 -1.26 -4.67 105.19 105.34 2npl n GLY 28 Ca 0.05 -0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 2npl n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2npl s SER 29 N 0.00 2.11 0.35 1.61 0.01 -1.26 -5.12 113.70 111.40 2npl s SER 29 Ca 0.00 -1.38 -0.28 0.00 1.31 0.00 0.00 55.95 55.60 2npl s SER 29 Cb 0.00 -0.03 -0.12 0.00 0.21 0.00 0.00 66.02 66.08 2npl s SER 29 CO 0.00 -0.64 1.40 0.18 0.41 0.00 0.00 173.24 174.60 2npl n LEU 30 N -0.64 4.15 -4.61 2.44 4.32 -1.26 -4.85 117.00 116.55 2npl n LEU 30 Ca -0.02 1.21 -0.28 0.00 -0.02 0.00 0.00 56.01 56.90 2npl n LEU 30 Cb 0.67 -1.55 0.21 0.00 -1.62 0.00 0.00 43.42 41.12 2npl n LEU 30 CO 0.41 -0.15 0.60 -2.16 -1.22 0.00 0.00 177.39 174.87 2npl s PRO 31 N -1.84 -0.15 -0.16 3.23 0.04 -1.26 -4.96 135.00 129.91 2npl s PRO 31 Ca 0.55 0.56 -0.16 0.00 0.04 0.00 0.00 61.00 62.00 2npl s PRO 31 Cb -0.52 -1.67 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 2npl s PRO 31 CO 0.62 -3.13 -0.30 1.28 0.04 0.00 0.00 177.00 175.50 2npl n LEU 32 N -4.46 1.79 -3.80 -3.56 4.77 -1.26 -5.05 117.00 105.42 2npl n LEU 32 Ca 0.04 0.35 -0.12 0.00 -0.03 0.00 0.00 56.01 56.25 2npl n LEU 32 Cb 0.57 -0.74 -0.11 0.00 -2.33 0.00 0.00 43.42 40.81 2npl n LEU 32 CO 0.57 -0.31 -0.09 0.00 -1.33 0.00 0.00 177.39 176.23 2npl s GLN 33 N -2.69 0.40 -0.18 3.23 -2.07 -0.98 -5.06 119.66 112.31 2npl s GLN 33 Ca -0.25 0.07 -0.28 0.00 -1.82 0.00 0.00 55.36 53.08 2npl s GLN 33 Cb 0.03 0.18 0.07 0.00 -1.09 0.00 0.00 33.01 32.21 2npl s GLN 33 CO 0.37 -0.08 0.72 1.52 -1.32 0.00 0.00 175.29 176.50 2npl s TYR 34 N -0.50 -0.72 -0.06 9.60 1.13 -1.26 0.10 117.35 125.64 2npl s TYR 34 Ca -0.06 1.55 -0.09 0.00 -1.41 0.00 0.00 57.07 57.06 2npl s TYR 34 Cb -0.04 0.33 0.02 0.00 -1.10 0.00 0.00 41.96 41.18 2npl s TYR 34 CO 0.01 -0.47 0.23 -1.21 -2.51 0.00 0.00 175.55 171.60 2npl s GLU 35 N -0.31 0.39 0.52 -3.49 2.02 0.11 -4.57 118.70 113.38 2npl s GLU 35 Ca -0.05 0.10 -0.13 0.00 0.02 0.00 0.00 54.97 54.91 2npl s GLU 35 Cb -0.03 0.18 -0.06 0.00 0.10 0.00 0.00 34.13 34.32 2npl s GLU 35 CO 0.05 -0.07 0.94 -1.58 0.02 0.00 0.00 175.26 174.61 2npl s TRP 36 N -0.42 3.51 -0.07 1.61 0.52 -1.17 -1.36 118.94 121.55 2npl s TRP 36 Ca -0.05 1.29 -0.04 0.00 0.02 0.00 0.00 56.10 57.32 2npl s TRP 36 Cb -0.04 -2.67 0.04 0.00 -1.15 0.00 0.00 33.47 29.65 2npl s TRP 36 CO 0.01 -0.40 0.17 -0.65 0.02 0.00 0.00 176.95 176.11 2npl s GLN 37 N -4.37 0.14 0.16 4.98 -0.21 0.72 -4.86 119.66 116.21 2npl s GLN 37 Ca 0.55 0.38 -0.07 0.00 0.02 0.00 0.00 55.36 56.25 2npl s GLN 37 Cb -0.10 -0.10 -0.02 0.00 1.00 0.00 0.00 33.01 33.79 2npl s GLN 37 CO 0.38 -0.13 0.22 0.15 -2.12 0.00 0.00 175.29 173.80 2npl s LYS 38 N 0.94 1.11 -0.33 2.91 3.01 -1.26 0.13 119.74 126.26 2npl s LYS 38 Ca -0.07 -1.26 -0.01 0.00 -1.01 0.00 0.00 55.97 53.62 2npl s LYS 38 Cb -0.09 0.34 0.11 0.00 -1.01 0.00 0.00 37.83 37.18 2npl s LYS 38 CO -0.05 -0.39 0.13 -0.51 0.51 0.00 0.00 175.35 175.04 2npl s LEU 39 N -3.00 1.96 -0.04 3.17 1.43 -0.31 -4.96 118.68 116.93 2npl s LEU 39 Ca 0.20 -1.78 -0.01 0.00 -1.03 0.00 0.00 54.13 51.51 2npl s LEU 39 Cb 0.04 -0.78 0.03 0.00 0.03 0.00 0.00 46.19 45.51 2npl s LEU 39 CO 0.01 -0.39 0.03 -0.44 0.23 0.00 0.00 176.35 175.79 2npl s SER 40 N 1.46 0.85 0.57 2.29 0.01 -1.26 -1.95 113.70 115.67 2npl s SER 40 Ca 0.11 0.01 0.36 0.00 1.31 0.00 0.00 55.95 57.74 2npl s SER 40 Cb -0.19 -0.21 1.44 0.00 0.21 0.00 0.00 66.02 67.27 2npl s SER 40 CO -0.21 -0.17 1.67 0.44 0.41 0.00 0.00 173.24 175.38 2npl h ASP 41 N 7.88 0.00 -0.33 2.44 3.32 -1.89 1.27 116.42 129.11 2npl h ASP 41 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2npl h ASP 41 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2npl h ASP 41 CO 0.32 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.64 2npl n SER 42 N -3.83 2.74 0.05 6.45 7.64 -1.26 -4.72 113.62 120.68 2npl n SER 42 Ca 0.25 -2.25 0.00 0.00 1.01 0.00 0.00 58.87 57.88 2npl n SER 42 Cb 1.34 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 2npl n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2npl n GLN 43 N 0.44 0.00 -2.33 1.43 6.02 0.43 -4.38 117.38 119.01 2npl n GLN 43 Ca 0.13 0.14 -0.37 0.00 -0.01 0.00 0.00 57.00 56.90 2npl n GLN 43 Cb 0.53 -1.54 -0.04 0.00 1.02 0.00 0.00 30.24 30.22 2npl n GLN 43 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2npl s LYS 44 N -1.82 3.04 -0.47 -1.09 1.02 -1.26 -4.75 119.74 114.41 2npl s LYS 44 Ca 0.00 -0.36 0.06 0.00 0.02 0.00 0.00 55.97 55.69 2npl s LYS 44 Cb 0.00 -4.81 0.22 0.00 -0.52 0.00 0.00 37.83 32.71 2npl s LYS 44 CO 0.00 -2.60 0.69 -1.33 -0.92 0.00 0.00 175.35 171.20 2npl n MET 45 N 9.06 0.61 0.46 1.68 2.81 -1.26 -5.04 117.12 125.44 2npl n MET 45 Ca 0.25 -2.33 -0.18 0.00 -1.81 0.00 0.00 57.70 53.64 2npl n MET 45 Cb 0.50 -1.45 -0.09 0.00 -0.71 0.00 0.00 33.22 31.47 2npl n MET 45 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 2npl h PRO 46 N 4.52 -1.13 -0.45 0.03 0.11 -1.97 0.96 132.00 134.05 2npl h PRO 46 Ca 0.01 0.08 -0.06 0.00 0.11 0.00 0.00 66.00 66.15 2npl h PRO 46 Cb 1.00 0.26 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 2npl h PRO 46 CO 0.27 -0.76 0.05 1.79 -0.21 0.00 0.00 178.00 179.15 2npl h THR 47 N -1.28 1.22 -0.31 -1.15 1.35 -1.99 -0.55 112.91 110.19 2npl h THR 47 Ca -0.12 -0.85 -0.17 0.00 -0.55 0.00 0.00 66.41 64.72 2npl h THR 47 Cb 0.90 0.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.14 2npl h THR 47 CO 0.20 0.30 -0.48 0.77 -0.25 0.00 0.00 175.52 176.06 2npl h SER 48 N 0.68 0.95 1.21 5.36 4.64 -1.95 -2.68 113.55 121.76 2npl h SER 48 Ca 0.14 -0.51 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2npl h SER 48 Cb 0.34 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2npl h SER 48 CO 0.01 1.28 0.00 -0.50 -0.87 0.00 0.00 176.83 176.75 2npl h TRP 49 N 0.65 0.00 0.03 4.77 4.06 0.12 -1.90 115.95 123.68 2npl h TRP 49 Ca 0.03 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.98 2npl h TRP 49 Cb 1.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.25 2npl h TRP 49 CO 0.07 0.00 -0.01 -0.07 -3.56 0.00 0.00 178.44 174.87 2npl h LEU 50 N 0.00 -0.03 -2.04 -4.49 3.38 -0.84 0.15 115.31 111.44 2npl h LEU 50 Ca 0.00 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2npl h LEU 50 Cb 0.61 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2npl h LEU 50 CO 0.00 0.45 0.00 0.00 0.09 0.00 0.00 178.44 178.98 2npl h ALA 51 N 0.41 1.96 0.00 1.53 0.00 -1.34 0.17 119.26 121.99 2npl h ALA 51 Ca -0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2npl h ALA 51 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2npl h ALA 51 CO 0.01 -0.00 -0.68 0.93 0.00 0.00 0.00 179.25 179.51 2npl h GLU 52 N 0.00 0.00 -1.00 0.00 5.08 -0.94 0.46 114.58 118.18 2npl h GLU 52 Ca 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 2npl h GLU 52 Cb 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 2npl h GLU 52 CO -0.00 0.68 0.63 0.52 -1.00 0.00 0.00 179.01 179.84 2npl h MET 53 N 0.00 0.97 -1.88 2.33 2.86 0.23 -3.10 114.93 116.33 2npl h MET 53 Ca -0.01 -0.06 -0.26 0.00 -2.06 0.00 0.00 59.70 57.31 2npl h MET 53 Cb 1.20 -0.22 -0.30 0.00 0.06 0.00 0.00 31.60 32.34 2npl h MET 53 CO 0.09 0.64 -0.59 0.95 1.06 0.00 0.00 176.91 179.06 2npl s THR 54 N -5.96 -0.52 0.00 2.22 -4.23 -1.06 -3.75 115.64 102.34 2npl s THR 54 Ca -0.12 -0.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 2npl s THR 54 Cb 0.22 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 73.13 2npl s THR 54 CO 0.81 -0.38 0.00 -1.54 -0.54 0.00 0.00 174.62 172.96 2npl n SER 55 N 5.18 0.00 0.00 3.99 3.41 0.16 -4.64 113.62 121.72 2npl n SER 55 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2npl n SER 55 Cb 0.48 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 2npl n SER 55 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2npl n SER 56 N -2.21 0.00 -3.68 4.04 7.64 -0.88 -4.87 113.62 113.66 2npl n SER 56 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 2npl n SER 56 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 2npl n SER 56 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2npl s VAL 57 N -0.37 -0.01 0.03 0.44 1.01 -1.26 -2.45 120.40 117.79 2npl s VAL 57 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 2npl s VAL 57 Cb 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 2npl s VAL 57 CO 0.00 0.01 0.05 -0.63 0.00 0.00 0.00 175.10 174.53 2npl s ILE 58 N 0.72 0.13 -0.04 2.22 1.01 0.37 -4.97 121.20 120.64 2npl s ILE 58 Ca -0.04 -1.07 0.03 0.00 0.00 0.00 0.00 60.65 59.57 2npl s ILE 58 Cb -0.05 -0.72 0.01 0.00 0.01 0.00 0.00 42.46 41.71 2npl s ILE 58 CO -0.05 -0.59 -0.11 -0.44 0.00 0.00 0.00 174.94 173.74 2npl s SER 59 N -1.92 1.56 0.30 3.58 0.01 -1.26 -0.34 113.70 115.64 2npl s SER 59 Ca -0.08 -0.25 0.03 0.00 1.31 0.00 0.00 55.95 56.96 2npl s SER 59 Cb -0.04 -0.55 -0.06 0.00 0.21 0.00 0.00 66.02 65.58 2npl s SER 59 CO -0.03 0.06 0.07 -0.69 0.41 0.00 0.00 173.24 173.06 2npl s VAL 60 N 0.38 1.00 -0.10 3.43 1.01 -1.11 -4.91 120.40 120.10 2npl s VAL 60 Ca -0.08 -2.00 -0.01 0.00 0.00 0.00 0.00 61.98 59.89 2npl s VAL 60 Cb -0.12 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 2npl s VAL 60 CO 0.02 -0.00 -0.06 -0.54 0.00 0.00 0.00 175.10 174.51 2npl s LYS 61 N -3.93 3.13 -0.13 2.72 1.02 -1.26 -2.19 119.74 119.10 2npl s LYS 61 Ca 0.37 -0.55 0.07 0.00 0.02 0.00 0.00 55.97 55.88 2npl s LYS 61 Cb 0.08 -2.71 0.41 0.00 -0.52 0.00 0.00 37.83 35.10 2npl s LYS 61 CO 0.15 0.48 1.16 0.09 -0.92 0.00 0.00 175.35 176.30 2npl n ASN 62 N 2.79 3.40 0.15 2.83 3.02 -1.10 -4.49 115.26 121.86 2npl n ASN 62 Ca -0.18 -2.50 0.18 0.00 -0.03 0.00 0.00 54.58 52.06 2npl n ASN 62 Cb 0.53 -0.60 0.69 0.00 -0.61 0.00 0.00 39.78 39.78 2npl n ASN 62 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2npl h ALA 63 N 2.91 1.96 -3.10 5.41 0.00 -1.80 0.30 119.26 124.93 2npl h ALA 63 Ca 0.02 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.27 2npl h ALA 63 Cb 1.30 0.02 -0.27 0.00 0.00 0.00 0.00 17.79 18.84 2npl h ALA 63 CO 0.27 -0.70 -0.73 -1.12 0.00 0.00 0.00 179.25 176.97 2npl s SER 64 N -4.67 4.23 0.00 0.00 0.01 -1.26 -3.93 113.70 108.09 2npl s SER 64 Ca -0.04 -0.36 0.11 0.00 1.31 0.00 0.00 55.95 56.97 2npl s SER 64 Cb 0.12 -1.70 0.66 0.00 0.21 0.00 0.00 66.02 65.31 2npl s SER 64 CO 0.42 0.04 1.15 -1.54 0.41 0.00 0.00 173.24 173.72 2npl n SER 65 N 4.37 0.00 -0.82 2.44 3.41 -1.26 -2.41 113.62 119.34 2npl n SER 65 Ca -0.18 -0.89 0.08 0.00 -0.26 0.00 0.00 58.87 57.61 2npl n SER 65 Cb 0.51 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.64 2npl n SER 65 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2npl n GLU 66 N -0.78 2.48 -1.57 4.33 1.02 -1.15 -3.46 120.64 121.52 2npl n GLU 66 Ca 0.08 -2.08 -0.35 0.00 -0.02 0.00 0.00 57.16 54.80 2npl n GLU 66 Cb 0.04 -1.35 -0.04 0.00 -0.02 0.00 0.00 31.44 30.07 2npl n GLU 66 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2npl n TYR 67 N 0.88 2.09 -3.89 -0.32 4.01 -1.01 -4.79 117.16 114.13 2npl n TYR 67 Ca 0.14 -2.65 -0.35 0.00 -0.16 0.00 0.00 57.90 54.88 2npl n TYR 67 Cb 0.47 -1.99 -0.14 0.00 -0.31 0.00 0.00 39.34 37.38 2npl n TYR 67 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2npl s SER 68 N 1.21 4.70 0.25 7.72 0.15 -1.26 -1.14 113.70 125.34 2npl s SER 68 Ca 0.62 -0.94 -0.16 0.00 0.70 0.00 0.00 55.95 56.16 2npl s SER 68 Cb 0.22 -1.74 0.01 0.00 -1.71 0.00 0.00 66.02 62.80 2npl s SER 68 CO -0.09 -0.19 0.57 -0.83 1.20 0.00 0.00 173.24 173.90 2npl s GLY 69 N 1.35 0.24 -0.42 9.45 0.00 -0.73 -4.67 107.32 112.55 2npl s GLY 69 Ca -0.01 -0.60 -0.16 0.00 0.00 0.00 0.00 44.72 43.96 2npl s GLY 69 CO -0.02 -0.39 0.37 -0.51 0.00 0.00 0.00 173.10 172.55 2npl s THR 70 N -3.97 5.18 0.75 0.90 -4.23 -0.82 -2.67 115.64 110.78 2npl s THR 70 Ca 0.17 -0.53 -0.07 0.00 -1.18 0.00 0.00 61.69 60.07 2npl s THR 70 Cb -0.03 -3.99 0.10 0.00 1.34 0.00 0.00 72.50 69.92 2npl s THR 70 CO 0.07 -0.37 1.07 -0.31 -0.54 0.00 0.00 174.62 174.53 2npl s TYR 71 N 1.89 2.49 -0.08 3.99 1.51 0.99 -1.17 117.35 126.98 2npl s TYR 71 Ca 0.08 0.32 -0.31 0.00 -1.01 0.00 0.00 57.07 56.15 2npl s TYR 71 Cb -0.18 -3.33 0.09 0.00 -0.11 0.00 0.00 41.96 38.42 2npl s TYR 71 CO 0.12 -1.68 0.79 0.45 -1.11 0.00 0.00 175.55 174.11 2npl s SER 72 N -4.62 -0.56 0.02 2.29 0.15 0.36 -1.99 113.70 109.35 2npl s SER 72 Ca 0.63 0.60 0.06 0.00 0.70 0.00 0.00 55.95 57.94 2npl s SER 72 Cb -0.09 0.46 -0.02 0.00 -1.71 0.00 0.00 66.02 64.66 2npl s SER 72 CO 0.46 -0.53 -0.18 0.00 1.20 0.00 0.00 173.24 174.20 2npl s THR 74 N -0.69 0.63 0.03 0.00 -4.23 -0.46 0.14 115.64 111.06 2npl s THR 74 Ca 0.06 -0.19 0.05 0.00 -1.18 0.00 0.00 61.69 60.42 2npl s THR 74 Cb -0.08 -0.63 -0.02 0.00 1.34 0.00 0.00 72.50 73.11 2npl s THR 74 CO 0.01 0.24 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.50 2npl s VAL 75 N 0.81 1.08 -0.30 2.29 1.01 0.16 0.08 120.40 125.53 2npl s VAL 75 Ca -0.12 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 60.92 2npl s VAL 75 Cb -0.14 -0.97 0.10 0.00 0.00 0.00 0.00 36.38 35.37 2npl s VAL 75 CO 0.01 0.06 0.13 -0.13 0.00 0.00 0.00 175.10 175.17 2npl s ARG 76 N -0.98 0.37 -0.02 2.72 0.52 0.28 -0.19 118.95 121.65 2npl s ARG 76 Ca 0.02 -0.77 0.05 0.00 -0.52 0.00 0.00 55.73 54.51 2npl s ARG 76 Cb -0.07 -1.40 -0.01 0.00 0.52 0.00 0.00 34.95 33.99 2npl s ARG 76 CO 0.01 -1.03 -0.18 1.21 0.02 0.00 0.00 175.30 175.33 2npl s ASN 77 N 1.85 2.16 0.50 0.23 2.47 -1.17 -2.33 114.94 118.64 2npl s ASN 77 Ca 0.10 -0.34 0.31 0.00 0.42 0.00 0.00 52.86 53.35 2npl s ASN 77 Cb -0.17 -0.35 1.42 0.00 -1.45 0.00 0.00 41.25 40.69 2npl s ASN 77 CO -0.30 0.20 1.79 0.03 -3.72 0.00 0.00 177.10 175.10 2npl h ARG 78 N 5.86 0.12 -2.10 0.43 3.08 -1.98 0.27 114.38 120.06 2npl h ARG 78 Ca -0.36 -0.01 -0.73 0.00 0.07 0.00 0.00 59.98 58.95 2npl h ARG 78 Cb 1.15 -0.03 -0.32 0.00 0.08 0.00 0.00 29.97 30.86 2npl h ARG 78 CO 0.48 0.08 0.52 1.33 -1.07 0.00 0.00 179.97 181.30 2npl n VAL 79 N -4.33 4.40 0.00 2.04 0.24 -1.26 -4.72 118.33 114.69 2npl n VAL 79 Ca 0.26 -5.32 0.00 0.00 -2.04 0.00 0.00 64.34 57.24 2npl n VAL 79 Cb 1.15 -1.40 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 2npl n VAL 79 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2npl n GLY 80 N -0.28 0.35 3.45 7.63 0.00 0.77 -4.83 105.19 112.28 2npl n GLY 80 Ca 0.45 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2npl n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2npl s SER 81 N 0.00 6.12 0.01 1.61 1.04 -0.10 -3.03 113.70 119.35 2npl s SER 81 Ca 0.00 -0.96 -0.00 0.00 0.48 0.00 0.00 55.95 55.47 2npl s SER 81 Cb 0.00 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.95 2npl s SER 81 CO 0.00 -0.49 0.02 0.47 0.98 0.00 0.00 173.24 174.22 2npl n ASP 82 N 5.19 -0.05 -3.14 7.02 8.00 0.73 -4.85 116.55 129.45 2npl n ASP 82 Ca -0.11 -1.06 -0.13 0.00 0.71 0.00 0.00 54.79 54.20 2npl n ASP 82 Cb 0.46 0.09 -0.02 0.00 -0.02 0.00 0.00 41.12 41.63 2npl n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2npl n GLN 83 N -0.02 1.42 -3.64 -1.24 6.02 -1.26 -0.66 117.38 118.00 2npl n GLN 83 Ca -0.00 -1.54 -0.10 0.00 -0.01 0.00 0.00 57.00 55.35 2npl n GLN 83 Cb 0.02 0.37 -0.04 0.00 1.02 0.00 0.00 30.24 31.61 2npl n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2npl s LEU 85 N -2.82 2.17 0.20 0.00 1.43 -1.26 -2.34 118.68 116.05 2npl s LEU 85 Ca 0.05 -0.75 0.11 0.00 -1.03 0.00 0.00 54.13 52.51 2npl s LEU 85 Cb -0.00 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 2npl s LEU 85 CO -0.08 -0.08 -0.22 -0.76 0.23 0.00 0.00 176.35 175.43 2npl s LEU 86 N 1.37 2.49 -0.03 1.79 1.43 -0.84 -4.77 118.68 120.12 2npl s LEU 86 Ca 0.02 -0.85 -0.04 0.00 -1.03 0.00 0.00 54.13 52.22 2npl s LEU 86 Cb -0.15 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.87 2npl s LEU 86 CO -0.10 0.11 0.10 -0.60 0.23 0.00 0.00 176.35 176.09 2npl s ARG 87 N -2.74 0.19 0.00 1.70 3.52 -1.26 -0.00 118.95 120.36 2npl s ARG 87 Ca 0.22 0.01 0.01 0.00 -0.13 0.00 0.00 55.73 55.83 2npl s ARG 87 Cb -0.08 0.09 -0.00 0.00 -1.56 0.00 0.00 34.95 33.39 2npl s ARG 87 CO 0.11 -0.03 -0.03 -0.51 -0.81 0.00 0.00 175.30 174.02 2npl s LEU 88 N -0.28 2.03 -0.08 -0.88 1.43 -1.09 -4.64 118.68 115.17 2npl s LEU 88 Ca -0.03 -0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 2npl s LEU 88 Cb -0.03 -0.14 0.05 0.00 0.03 0.00 0.00 46.19 46.10 2npl s LEU 88 CO 0.00 0.00 0.17 0.21 0.23 0.00 0.00 176.35 176.97 2npl s ASN 89 N -0.23 0.30 -0.10 2.29 3.84 -1.25 -1.77 114.94 118.02 2npl s ASN 89 Ca -0.00 0.36 -0.00 0.00 0.21 0.00 0.00 52.86 53.42 2npl s ASN 89 Cb -0.02 0.28 0.02 0.00 -0.55 0.00 0.00 41.25 40.99 2npl s ASN 89 CO -0.00 -0.20 -0.07 -0.69 -2.79 0.00 0.00 177.10 173.35 2npl s VAL 90 N 1.78 0.93 0.29 -5.21 1.01 -0.29 -1.45 120.40 117.46 2npl s VAL 90 Ca -0.03 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.74 2npl s VAL 90 Cb -0.12 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 2npl s VAL 90 CO -0.06 0.35 0.33 1.33 0.00 0.00 0.00 175.10 177.04 2npl n VAL 91 N 4.91 0.00 -3.32 2.92 0.24 -1.22 -2.56 118.33 119.31 2npl n VAL 91 Ca -0.12 -1.78 -0.34 0.00 -2.04 0.00 0.00 64.34 60.05 2npl n VAL 91 Cb 0.50 0.98 -0.06 0.00 -1.47 0.00 0.00 33.84 33.79 2npl n VAL 91 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2npl s PRO 92 N -2.91 3.97 -0.12 7.34 0.04 -1.26 -1.73 135.00 140.32 2npl s PRO 92 Ca 0.29 0.50 -0.29 0.00 0.04 0.00 0.00 61.00 61.54 2npl s PRO 92 Cb 0.00 -2.80 -0.04 0.00 0.04 0.00 0.00 34.50 31.71 2npl s PRO 92 CO 0.21 0.39 1.53 -1.25 0.04 0.00 0.00 177.00 177.92 2npl s PRO 93 N -2.29 4.12 -0.87 0.56 0.04 -1.26 -4.88 135.00 130.41 2npl s PRO 93 Ca 0.43 1.93 -0.25 0.00 0.04 0.00 0.00 61.00 63.14 2npl s PRO 93 Cb -0.14 -3.93 0.04 0.00 0.04 0.00 0.00 34.50 30.51 2npl s PRO 93 CO 0.20 -0.90 1.36 -1.12 0.04 0.00 0.00 177.00 176.58 2npl s SER 94 N 3.12 6.32 0.45 6.66 0.01 -1.26 -4.99 113.70 124.01 2npl s SER 94 Ca 0.67 -0.93 -0.22 0.00 1.31 0.00 0.00 55.95 56.79 2npl s SER 94 Cb -0.28 -2.56 -0.08 0.00 0.21 0.00 0.00 66.02 63.30 2npl s SER 94 CO 0.25 -1.68 1.06 0.20 0.41 0.00 0.00 173.24 173.48 2npl s ASN 95 N 4.34 6.47 0.00 2.44 -0.87 -1.26 -5.31 114.94 120.75 2npl s ASN 95 Ca 0.40 2.04 0.14 0.00 -1.57 0.00 0.00 52.86 53.87 2npl s ASN 95 Cb -0.04 -2.58 0.11 0.00 -0.02 0.00 0.00 41.25 38.72 2npl s ASN 95 CO 0.03 -0.70 0.94 0.29 -2.57 0.00 0.00 177.10 175.10