#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnz n GLY 2 N 0.00 -0.70 0.00 3.03 0.00 -1.26 -5.09 105.19 101.18 2nnz n GLY 2 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2nnz n GLY 2 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2nnz n GLU 3 N -4.45 0.00 0.00 1.61 2.13 -1.26 -4.98 120.64 113.69 2nnz n GLU 3 Ca -0.25 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.57 2nnz n GLU 3 Cb 0.56 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.27 2nnz n GLU 3 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2nnz n ARG 4 N 0.00 0.00 -3.61 5.31 5.12 -1.26 -5.19 116.66 117.03 2nnz n ARG 4 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2nnz n ARG 4 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2nnz n ARG 4 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2nnz n GLY 5 N 0.36 -1.94 2.70 -0.13 0.00 -1.26 -5.02 105.19 99.90 2nnz n GLY 5 Ca 0.00 -1.16 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 2nnz n GLY 5 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2nnz n VAL 6 N 1.30 5.49 -2.69 1.61 0.31 -1.26 -4.52 118.33 118.58 2nnz n VAL 6 Ca 0.00 -5.77 -0.06 0.00 -0.01 0.00 0.00 64.34 58.51 2nnz n VAL 6 Cb 0.00 -1.50 0.07 0.00 -0.91 0.00 0.00 33.84 31.50 2nnz n VAL 6 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2nnz n GLU 7 N -0.13 0.75 -3.79 5.55 -0.00 -1.24 -4.85 120.64 116.92 2nnz n GLU 7 Ca 0.46 -1.36 -0.37 0.00 -0.00 0.00 0.00 57.16 55.89 2nnz n GLU 7 Cb 0.28 -0.13 -0.13 0.00 -0.00 0.00 0.00 31.44 31.46 2nnz n GLU 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 2nnz s MET 8 N 0.14 3.22 0.02 3.44 1.75 -1.17 -4.94 119.30 121.76 2nnz s MET 8 Ca 0.15 -0.76 0.03 0.00 -1.25 0.00 0.00 55.69 53.87 2nnz s MET 8 Cb 0.26 -3.29 -0.04 0.00 2.84 0.00 0.00 34.83 34.61 2nnz s MET 8 CO -0.07 -0.36 -0.05 -0.98 -0.65 0.00 0.00 175.02 172.92 2nnz s ARG 9 N 1.51 2.57 0.34 4.11 1.04 -1.26 -0.68 118.95 126.58 2nnz s ARG 9 Ca 0.04 -0.73 0.10 0.00 -1.04 0.00 0.00 55.73 54.09 2nnz s ARG 9 Cb -0.16 -2.53 -0.06 0.00 -2.04 0.00 0.00 34.95 30.15 2nnz s ARG 9 CO 0.01 0.59 -0.10 -0.51 -0.04 0.00 0.00 175.30 175.26 2nnz s LEU 10 N -1.62 2.73 0.03 -1.89 1.43 -0.18 -4.39 118.68 114.79 2nnz s LEU 10 Ca 0.19 -1.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.13 2nnz s LEU 10 Cb -0.11 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 2nnz s LEU 10 CO 0.10 -0.20 -0.03 -0.60 0.23 0.00 0.00 176.35 175.85 2nnz s ARG 11 N -3.61 2.60 -0.28 1.70 3.00 0.34 -2.67 118.95 120.03 2nnz s ARG 11 Ca 0.32 -0.73 -0.02 0.00 -1.00 0.00 0.00 55.73 54.31 2nnz s ARG 11 Cb 0.02 -2.55 0.12 0.00 0.00 0.00 0.00 34.95 32.54 2nnz s ARG 11 CO 0.16 0.59 0.24 0.42 0.00 0.00 0.00 175.30 176.72 2nnz s ILE 12 N -1.11 -0.30 0.18 4.11 1.01 -0.96 -1.56 121.20 122.57 2nnz s ILE 12 Ca 0.20 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.36 2nnz s ILE 12 Cb -0.11 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 2nnz s ILE 12 CO 0.11 -0.52 0.24 0.00 0.00 0.00 0.00 174.94 174.77 2nnz s ARG 13 N 2.29 3.23 -0.01 2.79 1.70 -1.25 -2.57 118.95 125.12 2nnz s ARG 13 Ca 0.09 -0.75 0.02 0.00 -0.47 0.00 0.00 55.73 54.62 2nnz s ARG 13 Cb -0.15 -2.82 0.00 0.00 -0.57 0.00 0.00 34.95 31.42 2nnz s ARG 13 CO -0.32 0.49 -0.06 -0.06 -1.08 0.00 0.00 175.30 174.26 2nnz s PHE 14 N -1.82 0.63 0.57 5.89 0.40 0.40 -3.70 117.98 120.36 2nnz s PHE 14 Ca 0.33 -0.13 0.43 0.00 -0.60 0.00 0.00 56.93 56.96 2nnz s PHE 14 Cb -0.10 -0.45 1.56 0.00 0.51 0.00 0.00 43.02 44.54 2nnz s PHE 14 CO 0.27 -0.05 1.60 0.93 0.70 0.00 0.00 175.22 178.66 2nnz h GLU 15 N 6.23 0.00 0.00 0.44 3.07 -1.95 0.48 114.58 122.86 2nnz h GLU 15 Ca -0.31 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.53 2nnz h GLU 15 Cb 1.18 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.05 2nnz h GLU 15 CO 0.49 0.00 -0.31 0.43 -1.40 0.00 0.00 179.01 178.23 2nnz n SER 16 N -3.87 1.60 -3.60 1.42 7.64 -1.26 -5.06 113.62 110.49 2nnz n SER 16 Ca 0.35 -2.94 -0.07 0.00 1.01 0.00 0.00 58.87 57.22 2nnz n SER 16 Cb 1.72 -0.39 -0.04 0.00 -1.01 0.00 0.00 64.21 64.48 2nnz n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nnz s ALA 17 N -2.10 -2.00 0.00 -0.43 0.00 0.17 -4.93 121.76 112.47 2nnz s ALA 17 Ca 0.27 1.67 0.06 0.00 0.00 0.00 0.00 51.96 53.96 2nnz s ALA 17 Cb 0.25 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 2nnz s ALA 17 CO -0.02 -0.33 -0.19 -1.83 0.00 0.00 0.00 175.76 173.40 2nnz s GLU 18 N -1.30 1.46 -0.11 0.00 -1.05 -1.26 0.15 118.70 116.59 2nnz s GLU 18 Ca 0.03 -0.73 -0.30 0.00 -0.15 0.00 0.00 54.97 53.82 2nnz s GLU 18 Cb -0.01 -1.45 0.09 0.00 -0.44 0.00 0.00 34.13 32.33 2nnz s GLU 18 CO -0.03 0.39 0.81 0.00 0.95 0.00 0.00 175.26 177.39 2nnz s GLU 20 N -1.03 1.20 -0.15 0.00 2.02 -1.26 -2.25 118.70 117.23 2nnz s GLU 20 Ca -0.06 -1.50 -0.15 0.00 0.02 0.00 0.00 54.97 53.28 2nnz s GLU 20 Cb -0.01 -0.93 0.04 0.00 0.10 0.00 0.00 34.13 33.33 2nnz s GLU 20 CO 0.06 0.15 0.42 0.14 0.02 0.00 0.00 175.26 176.05 2nnz s VAL 21 N -2.97 0.00 0.62 2.63 -7.23 -1.09 -3.95 120.40 108.41 2nnz s VAL 21 Ca 0.19 -0.02 0.02 0.00 -1.81 0.00 0.00 61.98 60.36 2nnz s VAL 21 Cb -0.00 -0.60 0.12 0.00 0.56 0.00 0.00 36.38 36.46 2nnz s VAL 21 CO 0.04 -0.01 0.85 -0.62 -0.31 0.00 0.00 175.10 175.05 2nnz n GLU 22 N 2.77 0.13 -3.67 4.82 1.02 -0.73 -1.01 120.64 123.97 2nnz n GLU 22 Ca -0.14 -2.50 -0.15 0.00 -0.02 0.00 0.00 57.16 54.35 2nnz n GLU 22 Cb 0.57 -0.50 -0.08 0.00 -0.02 0.00 0.00 31.44 31.41 2nnz n GLU 22 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2nnz s LEU 23 N 0.00 0.19 0.08 -4.62 2.96 0.14 -3.61 118.68 113.83 2nnz s LEU 23 Ca 0.58 0.47 0.07 0.00 -0.22 0.00 0.00 54.13 55.03 2nnz s LEU 23 Cb -0.04 1.79 -0.03 0.00 0.50 0.00 0.00 46.19 48.41 2nnz s LEU 23 CO 0.38 -0.46 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.45 2nnz s TYR 24 N -1.01 1.68 -1.00 5.38 2.02 -1.26 -3.06 117.35 120.10 2nnz s TYR 24 Ca -0.10 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.19 2nnz s TYR 24 Cb -0.03 -0.95 0.00 0.00 -0.40 0.00 0.00 41.96 40.58 2nnz s TYR 24 CO 0.06 0.15 0.91 0.39 -1.57 0.00 0.00 175.55 175.48 2nnz n GLU 25 N 1.35 0.00 -0.26 -0.62 1.02 -1.26 -3.18 120.64 117.69 2nnz n GLU 25 Ca -0.19 0.41 0.33 0.00 -0.02 0.00 0.00 57.16 57.69 2nnz n GLU 25 Cb 0.54 -1.54 0.68 0.00 -0.02 0.00 0.00 31.44 31.09 2nnz n GLU 25 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2nnz h GLU 26 N 0.00 0.00 0.00 3.49 4.11 -1.95 0.46 114.58 120.69 2nnz h GLU 26 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2nnz h GLU 26 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2nnz h GLU 26 CO 0.00 0.00 -0.08 2.35 0.07 0.00 0.00 179.01 181.35 2nnz h TRP 27 N 0.00 0.00 0.00 2.06 -0.00 -1.83 -3.44 115.95 112.74 2nnz h TRP 27 Ca 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.42 2nnz h TRP 27 Cb 2.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.61 2nnz h TRP 27 CO 0.00 0.36 0.00 0.00 -0.00 0.00 0.00 178.44 178.80 2nnz n ALA 28 N -2.81 0.00 -0.70 2.65 0.00 0.15 -4.72 120.51 115.09 2nnz n ALA 28 Ca -0.05 0.00 0.53 0.00 0.00 0.00 0.00 53.44 53.92 2nnz n ALA 28 Cb 0.19 0.00 0.83 0.00 0.00 0.00 0.00 19.45 20.46 2nnz n ALA 28 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2nnz h PRO 29 N 0.00 0.00 -0.01 0.00 0.11 -1.93 0.26 132.00 130.43 2nnz h PRO 29 Ca 0.00 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 2nnz h PRO 29 Cb 0.00 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 2nnz h PRO 29 CO 0.00 0.00 0.01 1.49 -0.21 0.00 0.00 178.00 179.29 2nnz h GLU 30 N 0.00 0.02 -0.29 1.05 4.22 -1.94 -2.91 114.58 114.74 2nnz h GLU 30 Ca 0.93 -0.00 -0.04 0.00 0.08 0.00 0.00 59.36 60.33 2nnz h GLU 30 Cb 3.73 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 32.96 2nnz h GLU 30 CO -0.01 0.15 0.04 1.79 -2.18 0.00 0.00 179.01 178.80 2nnz h THR 31 N -0.12 1.24 -1.09 0.32 1.35 -0.87 -2.61 112.91 111.13 2nnz h THR 31 Ca 0.00 -0.83 0.32 0.00 -0.55 0.00 0.00 66.41 65.36 2nnz h THR 31 Cb 0.14 1.22 -0.04 0.00 -1.73 0.00 0.00 68.15 67.73 2nnz h THR 31 CO -0.00 0.27 0.85 0.58 -0.25 0.00 0.00 175.52 176.96 2nnz h VAL 32 N 0.30 0.35 -0.58 6.82 2.07 -1.44 0.40 116.25 124.18 2nnz h VAL 32 Ca 0.09 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 2nnz h VAL 32 Cb 0.36 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2nnz h VAL 32 CO 0.01 0.00 0.04 -0.09 0.02 0.00 0.00 177.57 177.55 2nnz h ARG 33 N 0.00 0.97 -0.22 1.57 2.43 -1.26 -2.22 114.38 115.65 2nnz h ARG 33 Ca 0.52 -0.27 -0.05 0.00 -0.81 0.00 0.00 59.98 59.38 2nnz h ARG 33 Cb 2.21 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 31.64 2nnz h ARG 33 CO -0.01 0.93 -0.04 0.00 -1.51 0.00 0.00 179.97 179.34 2nnz h ALA 34 N 1.14 0.30 -0.13 2.80 0.00 -0.29 -0.20 119.26 122.88 2nnz h ALA 34 Ca 0.17 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2nnz h ALA 34 Cb 0.47 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2nnz h ALA 34 CO 0.02 0.07 -0.12 0.82 0.00 0.00 0.00 179.25 180.04 2nnz h ILE 35 N 0.15 0.66 0.00 0.00 1.08 -1.42 0.36 117.51 118.33 2nnz h ILE 35 Ca 0.06 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.50 2nnz h ILE 35 Cb 0.48 0.66 -0.00 0.00 -3.07 0.00 0.00 36.82 34.89 2nnz h ILE 35 CO 0.02 0.00 -0.12 0.00 -0.69 0.00 0.00 178.15 177.36 2nnz h ALA 36 N 0.94 1.75 0.00 1.87 0.00 -1.35 -0.69 119.26 121.78 2nnz h ALA 36 Ca 0.09 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2nnz h ALA 36 Cb 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2nnz h ALA 36 CO -0.22 0.15 -0.31 0.22 0.00 0.00 0.00 179.25 179.10 2nnz h ASP 37 N 0.00 0.00 -1.90 0.00 1.82 0.89 -3.23 116.42 114.00 2nnz h ASP 37 Ca -0.00 0.00 -0.74 0.00 -0.39 0.00 0.00 57.03 55.90 2nnz h ASP 37 Cb 0.22 0.00 -0.25 0.00 0.68 0.00 0.00 39.33 39.98 2nnz h ASP 37 CO 0.02 0.31 1.02 0.00 -1.61 0.00 0.00 179.24 178.97 2nnz n ALA 38 N -2.28 6.46 -1.00 -0.78 0.00 -0.08 -5.00 120.51 117.82 2nnz n ALA 38 Ca -0.00 -4.07 0.00 0.00 0.00 0.00 0.00 53.44 49.37 2nnz n ALA 38 Cb 0.46 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2nnz n ALA 38 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2nnz n LEU 39 N -0.22 0.00 -1.66 0.00 4.77 -1.22 -4.53 117.00 114.14 2nnz n LEU 39 Ca 0.52 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 56.31 2nnz n LEU 39 Cb 0.28 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 2nnz n LEU 39 CO 0.49 -0.46 0.75 -2.65 -1.33 0.00 0.00 177.39 174.19 2nnz n PRO 40 N 0.00 0.00 -3.83 3.23 -0.02 -0.46 -4.54 135.00 129.37 2nnz n PRO 40 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 2nnz n PRO 40 Cb 0.00 -0.57 -0.09 0.00 -0.02 0.00 0.00 33.50 32.82 2nnz n PRO 40 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2nnz s ILE 41 N 2.81 0.08 0.02 4.25 1.01 -0.42 -4.96 121.20 123.98 2nnz s ILE 41 Ca 0.48 -0.63 -0.23 0.00 0.00 0.00 0.00 60.65 60.27 2nnz s ILE 41 Cb -0.53 -0.52 -0.05 0.00 0.01 0.00 0.00 42.46 41.37 2nnz s ILE 41 CO 0.22 -0.35 0.70 -0.54 0.00 0.00 0.00 174.94 174.98 2nnz s LYS 42 N -1.43 4.43 0.01 2.79 1.02 -1.26 -1.93 119.74 123.37 2nnz s LYS 42 Ca -0.14 0.94 -0.03 0.00 0.02 0.00 0.00 55.97 56.76 2nnz s LYS 42 Cb -0.06 -3.37 -0.01 0.00 -0.52 0.00 0.00 37.83 33.87 2nnz s LYS 42 CO 0.02 0.28 0.05 -1.54 -0.92 0.00 0.00 175.35 173.24 2nnz s SER 43 N 0.01 0.13 -0.21 2.83 1.04 0.35 -4.90 113.70 112.95 2nnz s SER 43 Ca 0.36 -0.33 -0.09 0.00 0.48 0.00 0.00 55.95 56.37 2nnz s SER 43 Cb -0.19 0.15 -0.05 0.00 0.10 0.00 0.00 66.02 66.03 2nnz s SER 43 CO 0.21 -0.30 0.11 -0.89 0.98 0.00 0.00 173.24 173.34 2nnz s THR 44 N -1.30 5.10 -0.08 2.02 2.01 -1.26 0.03 115.64 122.16 2nnz s THR 44 Ca -0.14 0.08 -0.19 0.00 0.31 0.00 0.00 61.69 61.75 2nnz s THR 44 Cb -0.08 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 2nnz s THR 44 CO 0.00 0.42 0.51 0.00 -0.69 0.00 0.00 174.62 174.86 2nnz s ALA 45 N 0.60 3.49 -0.25 7.40 0.00 -0.97 -4.30 121.76 127.73 2nnz s ALA 45 Ca 0.06 -0.12 -0.10 0.00 0.00 0.00 0.00 51.96 51.79 2nnz s ALA 45 Cb -0.12 -2.66 -0.05 0.00 0.00 0.00 0.00 23.12 20.29 2nnz s ALA 45 CO 0.01 0.07 0.16 -0.80 0.00 0.00 0.00 175.76 175.20 2nnz s ASN 46 N 0.31 5.94 0.05 0.00 0.01 -1.20 -3.36 114.94 116.70 2nnz s ASN 46 Ca 0.28 0.02 -0.23 0.00 -0.71 0.00 0.00 52.86 52.22 2nnz s ASN 46 Cb -0.16 -2.08 -0.06 0.00 0.41 0.00 0.00 41.25 39.35 2nnz s ASN 46 CO 0.12 0.01 0.68 -0.13 -1.51 0.00 0.00 177.10 176.27 2nnz s ARG 47 N 1.38 4.40 -0.06 -0.60 1.81 -1.26 -3.61 118.95 121.01 2nnz s ARG 47 Ca 0.07 0.91 -0.23 0.00 -1.72 0.00 0.00 55.73 54.76 2nnz s ARG 47 Cb -0.15 -3.32 0.05 0.00 -0.45 0.00 0.00 34.95 31.08 2nnz s ARG 47 CO 0.07 0.42 0.51 -0.46 -0.68 0.00 0.00 175.30 175.16 2nnz s TRP 48 N -0.46 -0.45 -0.46 -0.53 -0.11 -0.73 -4.94 118.94 111.26 2nnz s TRP 48 Ca 0.34 0.82 -0.04 0.00 1.22 0.00 0.00 56.10 58.43 2nnz s TRP 48 Cb -0.20 0.25 -0.16 0.00 -1.50 0.00 0.00 33.47 31.87 2nnz s TRP 48 CO 0.21 -0.47 1.19 0.41 -4.62 0.00 0.00 176.95 173.66 2nnz n GLY 49 N 1.32 -0.23 4.37 5.86 0.00 -1.26 -0.64 105.19 114.60 2nnz n GLY 49 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2nnz n GLY 49 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2nnz n ASP 50 N 3.43 0.00 -4.73 1.61 2.03 -1.26 -4.18 116.55 113.45 2nnz n ASP 50 Ca 0.31 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.21 2nnz n ASP 50 Cb 0.17 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.53 2nnz n ASP 50 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2nnz s GLU 51 N 0.00 4.50 -0.03 -0.67 -6.30 0.18 -4.61 118.70 111.76 2nnz s GLU 51 Ca 0.00 1.80 -0.01 0.00 -2.50 0.00 0.00 54.97 54.27 2nnz s GLU 51 Cb 0.00 -3.28 0.03 0.00 0.00 0.00 0.00 34.13 30.87 2nnz s GLU 51 CO 0.00 -0.11 0.03 0.42 0.02 0.00 0.00 175.26 175.62 2nnz s ILE 52 N 0.27 0.04 -0.03 -3.70 1.09 -1.26 -1.77 121.20 115.84 2nnz s ILE 52 Ca 0.54 0.23 0.00 0.00 -1.10 0.00 0.00 60.65 60.32 2nnz s ILE 52 Cb -0.31 -0.20 0.03 0.00 -1.06 0.00 0.00 42.46 40.91 2nnz s ILE 52 CO 0.34 0.15 -0.00 -0.72 -0.10 0.00 0.00 174.94 174.60 2nnz s TYR 53 N 1.47 0.40 0.02 3.97 1.13 -1.24 -2.81 117.35 120.30 2nnz s TYR 53 Ca -0.04 -0.04 0.02 0.00 -1.41 0.00 0.00 57.07 55.61 2nnz s TYR 53 Cb -0.13 -0.48 -0.02 0.00 -1.10 0.00 0.00 41.96 40.24 2nnz s TYR 53 CO -0.03 -0.15 -0.07 -0.59 -2.51 0.00 0.00 175.55 172.19 2nnz s PHE 54 N 1.10 0.64 0.16 -3.49 -0.12 -1.19 -3.25 117.98 111.83 2nnz s PHE 54 Ca -0.09 -0.34 -0.09 0.00 -0.05 0.00 0.00 56.93 56.36 2nnz s PHE 54 Cb -0.14 -0.39 -0.06 0.00 -0.63 0.00 0.00 43.02 41.80 2nnz s PHE 54 CO -0.02 -0.05 0.47 0.99 -0.05 0.00 0.00 175.22 176.57 2nnz s THR 55 N -0.87 5.01 0.00 -4.49 2.01 -1.26 -3.64 115.64 112.40 2nnz s THR 55 Ca -0.05 0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.39 2nnz s THR 55 Cb -0.07 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.80 2nnz s THR 55 CO 0.00 0.10 0.85 0.35 -0.69 0.00 0.00 174.62 175.23 2nnz n THR 56 N 0.34 0.73 -0.36 -0.82 -2.24 -1.26 -4.37 114.28 106.29 2nnz n THR 56 Ca -0.03 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 2nnz n THR 56 Cb 0.52 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 2nnz n THR 56 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nnz n GLN 57 N -0.36 0.00 -3.01 -0.78 6.02 -1.26 -4.99 117.38 112.99 2nnz n GLN 57 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 2nnz n GLN 57 Cb 0.22 -1.86 -0.06 0.00 1.02 0.00 0.00 30.24 29.56 2nnz n GLN 57 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2nnz s VAL 58 N -3.36 4.80 -0.63 5.09 0.11 -1.26 -5.01 120.40 120.15 2nnz s VAL 58 Ca 0.00 0.84 -0.11 0.00 -2.93 0.00 0.00 61.98 59.78 2nnz s VAL 58 Cb 0.00 -4.14 0.16 0.00 -1.53 0.00 0.00 36.38 30.87 2nnz s VAL 58 CO 0.00 -0.35 0.52 0.00 -3.33 0.00 0.00 175.10 171.95 2nnz s ALA 59 N 2.92 3.69 -0.25 1.54 0.00 -1.26 -4.88 121.76 123.53 2nnz s ALA 59 Ca 0.29 -2.94 -0.01 0.00 0.00 0.00 0.00 51.96 49.31 2nnz s ALA 59 Cb -0.14 -3.08 0.07 0.00 0.00 0.00 0.00 23.12 19.97 2nnz s ALA 59 CO 0.15 -2.08 0.02 0.54 0.00 0.00 0.00 175.76 174.39 2nnz s VAL 60 N 0.73 1.07 -0.04 0.00 0.11 -1.26 -5.12 120.40 115.88 2nnz s VAL 60 Ca 0.11 -1.13 0.03 0.00 -2.93 0.00 0.00 61.98 58.07 2nnz s VAL 60 Cb -0.20 -1.57 0.00 0.00 -1.53 0.00 0.00 36.38 33.08 2nnz s VAL 60 CO -0.03 -0.33 -0.13 -1.61 -3.33 0.00 0.00 175.10 169.67 2nnz s GLU 61 N 1.58 1.48 0.06 1.54 2.02 -1.26 -4.83 118.70 119.29 2nnz s GLU 61 Ca 0.01 -0.45 -0.04 0.00 0.02 0.00 0.00 54.97 54.51 2nnz s GLU 61 Cb -0.18 -1.29 -0.02 0.00 0.10 0.00 0.00 34.13 32.74 2nnz s GLU 61 CO -0.12 0.14 0.05 0.21 0.02 0.00 0.00 175.26 175.55 2nnz s LYS 62 N 0.27 0.67 -0.93 1.61 2.47 -1.26 -5.10 119.74 117.47 2nnz s LYS 62 Ca -0.07 -1.08 -0.17 0.00 -1.56 0.00 0.00 55.97 53.10 2nnz s LYS 62 Cb -0.12 0.25 0.16 0.00 -1.46 0.00 0.00 37.83 36.67 2nnz s LYS 62 CO 0.02 -0.16 1.05 -1.83 0.16 0.00 0.00 175.35 174.59 2nnz s GLU 63 N -3.71 3.67 -0.08 4.03 4.04 -1.26 -4.95 118.70 120.44 2nnz s GLU 63 Ca 0.05 -2.08 -0.31 0.00 0.04 0.00 0.00 54.97 52.66 2nnz s GLU 63 Cb 0.06 -4.78 0.12 0.00 0.02 0.00 0.00 34.13 29.54 2nnz s GLU 63 CO -0.10 -1.62 1.01 -2.00 -1.84 0.00 0.00 175.26 170.72 2nnz s GLU 64 N 1.74 0.62 0.60 -4.83 2.12 -1.26 -5.04 118.70 112.64 2nnz s GLU 64 Ca 0.29 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.41 2nnz s GLU 64 Cb -0.06 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.61 2nnz s GLU 64 CO -0.09 -0.27 0.00 -1.71 -0.54 0.00 0.00 175.26 172.66 2nnz n ASN 65 N -0.15 0.00 -1.87 -1.70 2.85 -1.26 -4.85 115.26 108.27 2nnz n ASN 65 Ca -0.05 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.30 2nnz n ASN 65 Cb 0.60 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.63 2nnz n ASN 65 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2nnz n SER 66 N 2.35 -2.25 -4.93 1.20 2.88 -1.26 -4.92 113.62 106.69 2nnz n SER 66 Ca 0.00 -0.01 -0.24 0.00 -1.33 0.00 0.00 58.87 57.29 2nnz n SER 66 Cb 0.00 -0.62 -0.03 0.00 -0.75 0.00 0.00 64.21 62.81 2nnz n SER 66 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2nnz s LYS 67 N -0.81 3.37 0.00 -1.46 0.00 0.30 -4.56 119.74 116.58 2nnz s LYS 67 Ca 0.11 -0.69 0.03 0.00 0.00 0.00 0.00 55.97 55.42 2nnz s LYS 67 Cb -0.01 -2.90 -0.01 0.00 0.00 0.00 0.00 37.83 34.91 2nnz s LYS 67 CO 0.25 0.49 0.29 -0.40 0.00 0.00 0.00 175.35 175.98 2nnz n ASP 68 N -0.81 0.53 -4.09 0.03 5.68 -1.26 -0.34 116.55 116.28 2nnz n ASP 68 Ca -0.08 -0.76 -0.18 0.00 -0.50 0.00 0.00 54.79 53.27 2nnz n ASP 68 Cb 0.55 0.65 -0.13 0.00 -1.14 0.00 0.00 41.12 41.05 2nnz n ASP 68 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2nnz s VAL 69 N -0.92 0.89 0.11 2.12 1.01 -1.26 -4.52 120.40 117.83 2nnz s VAL 69 Ca 0.02 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 60.94 2nnz s VAL 69 Cb 0.02 -0.82 0.06 0.00 0.00 0.00 0.00 36.38 35.64 2nnz s VAL 69 CO 0.09 -0.01 0.55 0.68 0.00 0.00 0.00 175.10 176.41 2nnz s VAL 70 N -0.76 0.02 0.18 2.92 -7.23 -1.26 -5.09 120.40 109.17 2nnz s VAL 70 Ca 0.00 -0.16 -0.05 0.00 -1.81 0.00 0.00 61.98 59.97 2nnz s VAL 70 Cb -0.07 -1.02 -0.06 0.00 0.56 0.00 0.00 36.38 35.79 2nnz s VAL 70 CO 0.01 -0.09 0.42 -1.61 -0.31 0.00 0.00 175.10 173.52 2nnz s GLU 71 N -3.22 3.63 -0.11 4.82 2.02 -1.26 -4.88 118.70 119.70 2nnz s GLU 71 Ca -0.01 -0.07 -0.39 0.00 0.02 0.00 0.00 54.97 54.52 2nnz s GLU 71 Cb -0.00 -2.80 -0.17 0.00 0.10 0.00 0.00 34.13 31.26 2nnz s GLU 71 CO -0.08 0.41 1.46 -0.11 0.02 0.00 0.00 175.26 176.96 2nnz n LEU 72 N -0.16 1.58 0.00 1.80 7.94 -1.26 -2.34 117.00 124.55 2nnz n LEU 72 Ca -0.02 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 2nnz n LEU 72 Cb 0.52 -1.10 0.00 0.00 0.53 0.00 0.00 43.42 43.37 2nnz n LEU 72 CO 0.48 -0.96 0.00 0.61 -1.11 0.00 0.00 177.39 176.41 2nnz n GLY 73 N 3.06 1.41 3.82 -3.96 0.00 -1.26 -5.10 105.19 103.16 2nnz n GLY 73 Ca 0.23 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2nnz n GLY 73 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2nnz s ASP 74 N -0.38 5.85 0.15 1.61 1.47 -0.99 -3.18 116.67 121.21 2nnz s ASP 74 Ca 0.00 1.69 0.08 0.00 1.18 0.00 0.00 52.55 55.50 2nnz s ASP 74 Cb 0.00 -2.51 -0.04 0.00 -0.34 0.00 0.00 42.92 40.03 2nnz s ASP 74 CO 0.00 -1.12 -0.11 -0.69 0.68 0.00 0.00 175.17 173.93 2nnz s VAL 75 N -2.71 3.19 -0.01 2.11 1.01 0.60 -4.52 120.40 120.08 2nnz s VAL 75 Ca 0.60 -1.53 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 2nnz s VAL 75 Cb -0.14 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.72 2nnz s VAL 75 CO 0.42 -0.02 0.29 0.00 0.00 0.00 0.00 175.10 175.79 2nnz s ALA 76 N -1.49 -0.73 -0.19 5.51 0.00 -1.25 -1.70 121.76 121.91 2nnz s ALA 76 Ca 0.23 0.29 -0.08 0.00 0.00 0.00 0.00 51.96 52.40 2nnz s ALA 76 Cb -0.10 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 2nnz s ALA 76 CO 0.14 -0.25 0.07 -0.47 0.00 0.00 0.00 175.76 175.25 2nnz s TYR 77 N -1.29 3.25 -0.14 0.00 6.14 0.11 -2.63 117.35 122.78 2nnz s TYR 77 Ca -0.13 0.07 -0.29 0.00 0.64 0.00 0.00 57.07 57.35 2nnz s TYR 77 Cb -0.05 -2.10 -0.04 0.00 0.42 0.00 0.00 41.96 40.19 2nnz s TYR 77 CO 0.04 0.12 1.57 -0.46 0.64 0.00 0.00 175.55 177.46 2nnz s TRP 78 N 0.49 2.18 0.00 4.97 -0.11 0.29 -1.74 118.94 125.01 2nnz s TRP 78 Ca 0.04 0.48 0.00 0.00 1.22 0.00 0.00 56.10 57.84 2nnz s TRP 78 Cb -0.13 -3.87 0.00 0.00 -1.50 0.00 0.00 33.47 27.97 2nnz s TRP 78 CO 0.01 -3.10 0.64 -0.89 -4.62 0.00 0.00 176.95 168.99 2nnz n ILE 79 N 5.85 0.00 -1.75 5.86 5.41 -1.21 -2.25 119.36 131.27 2nnz n ILE 79 Ca 0.17 1.11 -0.19 0.00 1.00 0.00 0.00 62.75 64.85 2nnz n ILE 79 Cb 0.44 -2.05 -0.10 0.00 -0.71 0.00 0.00 39.64 37.22 2nnz n ILE 79 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2nnz s PRO 80 N -2.08 1.58 0.00 0.38 0.04 -1.26 -1.20 135.00 132.45 2nnz s PRO 80 Ca 0.00 -0.65 0.00 0.00 0.04 0.00 0.00 61.00 60.39 2nnz s PRO 80 Cb 0.00 -5.06 0.00 0.00 0.04 0.00 0.00 34.50 29.48 2nnz s PRO 80 CO 0.00 -5.04 0.00 0.41 0.04 0.00 0.00 177.00 172.41 2nnz n GLY 81 N 6.05 0.48 2.65 0.56 0.00 -1.26 -4.87 105.19 108.80 2nnz n GLY 81 Ca 0.42 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.28 2nnz n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nnz n LYS 82 N 0.00 -2.63 -4.44 1.61 4.01 -0.34 -4.94 118.16 111.43 2nnz n LYS 82 Ca 0.00 0.65 -0.34 0.00 -0.51 0.00 0.00 58.31 58.11 2nnz n LYS 82 Cb 0.00 -5.30 -0.11 0.00 -0.51 0.00 0.00 35.03 29.10 2nnz n LYS 82 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2nnz s ALA 83 N -2.77 3.05 0.18 7.82 0.00 -1.06 -4.69 121.76 124.28 2nnz s ALA 83 Ca 0.10 -0.83 -0.14 0.00 0.00 0.00 0.00 51.96 51.09 2nnz s ALA 83 Cb -0.05 -1.48 -0.07 0.00 0.00 0.00 0.00 23.12 21.52 2nnz s ALA 83 CO 0.12 0.35 0.58 0.42 0.00 0.00 0.00 175.76 177.23 2nnz s ILE 84 N -0.07 4.83 0.05 0.00 1.01 -1.24 0.10 121.20 125.87 2nnz s ILE 84 Ca 0.02 0.83 -0.00 0.00 0.00 0.00 0.00 60.65 61.50 2nnz s ILE 84 Cb -0.13 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 2nnz s ILE 84 CO 0.03 0.17 -0.04 0.00 0.00 0.00 0.00 174.94 175.09 2nnz s LEU 86 N -2.40 3.46 -0.04 0.00 1.43 -1.12 -3.79 118.68 116.21 2nnz s LEU 86 Ca -0.00 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 2nnz s LEU 86 Cb 0.01 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.19 2nnz s LEU 86 CO -0.06 0.06 -0.01 -0.36 0.23 0.00 0.00 176.35 176.21 2nnz s PHE 87 N -1.86 0.47 -0.36 0.29 0.08 -1.26 -4.07 117.98 111.27 2nnz s PHE 87 Ca 0.29 -0.06 0.05 0.00 0.12 0.00 0.00 56.93 57.33 2nnz s PHE 87 Cb -0.09 -0.55 0.23 0.00 -0.57 0.00 0.00 43.02 42.05 2nnz s PHE 87 CO 0.20 -0.19 1.21 0.34 -0.10 0.00 0.00 175.22 176.69 2nnz n PHE 88 N 4.39 -1.48 0.00 0.36 7.35 -1.26 -4.46 117.46 122.35 2nnz n PHE 88 Ca -0.21 -1.34 0.00 0.00 -0.76 0.00 0.00 57.45 55.14 2nnz n PHE 88 Cb 0.50 1.40 0.00 0.00 0.35 0.00 0.00 39.48 41.73 2nnz n PHE 88 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2nnz n GLY 89 N -0.57 -1.60 3.66 7.13 0.00 -1.26 -4.90 105.19 107.65 2nnz n GLY 89 Ca -0.14 0.53 -0.11 0.00 0.00 0.00 0.00 46.02 46.30 2nnz n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nnz s LYS 90 N 0.00 1.96 0.15 1.61 0.00 -1.26 -4.91 119.74 117.29 2nnz s LYS 90 Ca 0.00 -1.49 0.01 0.00 0.00 0.00 0.00 55.97 54.50 2nnz s LYS 90 Cb 0.00 0.53 -0.00 0.00 0.00 0.00 0.00 37.83 38.36 2nnz s LYS 90 CO 0.00 -0.86 0.17 2.41 0.00 0.00 0.00 175.35 177.06 2nnz n THR 91 N -0.51 0.00 0.11 3.79 -1.04 -1.26 -3.70 114.28 111.67 2nnz n THR 91 Ca -0.03 -0.93 0.16 0.00 -2.04 0.00 0.00 64.05 61.20 2nnz n THR 91 Cb 0.61 0.51 0.45 0.00 -1.82 0.00 0.00 70.33 70.07 2nnz n THR 91 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2nnz h PRO 92 N 0.00 0.00 -2.50 -2.82 0.11 -1.88 -2.81 132.00 122.10 2nnz h PRO 92 Ca -0.11 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.40 2nnz h PRO 92 Cb 0.53 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.24 2nnz h PRO 92 CO 0.16 0.00 -0.83 -0.89 -0.21 0.00 0.00 178.00 176.23 2nnz n ILE 93 N -3.04 0.18 -0.16 4.15 -0.00 -1.26 -4.93 119.36 114.30 2nnz n ILE 93 Ca 0.08 -4.18 -0.11 0.00 -0.00 0.00 0.00 62.75 58.54 2nnz n ILE 93 Cb 0.97 -1.92 0.10 0.00 -0.00 0.00 0.00 39.64 38.80 2nnz n ILE 93 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 2nnz n SER 94 N 2.09 3.40 -4.13 4.38 7.64 -1.06 -2.94 113.62 123.01 2nnz n SER 94 Ca 0.25 -2.82 -0.35 0.00 1.01 0.00 0.00 58.87 56.97 2nnz n SER 94 Cb 0.44 -0.67 -0.07 0.00 -1.01 0.00 0.00 64.21 62.90 2nnz n SER 94 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2nnz n ASP 95 N -0.31 2.66 0.00 6.43 8.00 -1.26 -3.80 116.55 128.27 2nnz n ASP 95 Ca 0.30 -2.67 0.00 0.00 0.71 0.00 0.00 54.79 53.13 2nnz n ASP 95 Cb 1.09 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 2nnz n ASP 95 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2nnz n ASP 96 N 11.52 0.00 -1.01 -2.24 -0.08 -1.26 -4.92 116.55 118.55 2nnz n ASP 96 Ca 0.47 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.75 2nnz n ASP 96 Cb 0.44 -0.11 -0.00 0.00 2.34 0.00 0.00 41.12 43.79 2nnz n ASP 96 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2nnz n LYS 97 N -2.00 0.00 -3.97 -0.67 4.01 -1.25 -5.14 118.16 109.14 2nnz n LYS 97 Ca 0.00 -0.02 -0.31 0.00 -0.51 0.00 0.00 58.31 57.47 2nnz n LYS 97 Cb 0.00 0.02 -0.15 0.00 -0.51 0.00 0.00 35.03 34.38 2nnz n LYS 97 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2nnz s ILE 98 N -2.28 1.86 -0.57 -0.18 1.01 -1.26 -4.01 121.20 115.77 2nnz s ILE 98 Ca 0.00 -1.74 -0.16 0.00 0.00 0.00 0.00 60.65 58.75 2nnz s ILE 98 Cb 0.00 -2.21 0.13 0.00 0.01 0.00 0.00 42.46 40.39 2nnz s ILE 98 CO 0.00 -0.34 0.54 -0.60 0.00 0.00 0.00 174.94 174.55 2nnz s ARG 99 N 1.18 3.04 0.31 2.79 6.06 -1.15 -4.65 118.95 126.53 2nnz s ARG 99 Ca 0.01 -1.71 0.09 0.00 -2.50 0.00 0.00 55.73 51.63 2nnz s ARG 99 Cb -0.19 -4.31 0.51 0.00 0.06 0.00 0.00 34.95 31.03 2nnz s ARG 99 CO -0.09 -1.36 1.72 -1.00 -2.50 0.00 0.00 175.30 172.07 2nnz h PRO 100 N 8.86 0.11 0.00 5.12 0.13 -1.92 -3.39 132.00 140.91 2nnz h PRO 100 Ca -0.27 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2nnz h PRO 100 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2nnz h PRO 100 CO 1.03 0.54 0.00 0.00 -0.23 0.00 0.00 178.00 179.34 2nnz n ALA 101 N -2.46 0.00 0.65 -0.56 0.00 -1.26 -4.95 120.51 111.92 2nnz n ALA 101 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.50 2nnz n ALA 101 Cb 0.49 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.96 2nnz n ALA 101 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2nnz n SER 102 N 0.11 1.73 -2.67 0.00 3.41 -1.26 -4.81 113.62 110.13 2nnz n SER 102 Ca 0.00 -1.37 -0.04 0.00 -0.26 0.00 0.00 58.87 57.21 2nnz n SER 102 Cb 0.00 0.34 0.04 0.00 -0.26 0.00 0.00 64.21 64.33 2nnz n SER 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nnz n ALA 103 N 0.13 -3.63 -2.54 7.33 0.00 -1.26 -4.78 120.51 115.75 2nnz n ALA 103 Ca 0.07 -0.09 -0.23 0.00 0.00 0.00 0.00 53.44 53.19 2nnz n ALA 103 Cb 0.33 -3.19 -0.15 0.00 0.00 0.00 0.00 19.45 16.45 2nnz n ALA 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2nnz s VAL 104 N 0.76 1.31 0.38 0.00 -7.23 0.54 -3.28 120.40 112.88 2nnz s VAL 104 Ca 0.24 -0.84 -0.11 0.00 -1.81 0.00 0.00 61.98 59.46 2nnz s VAL 104 Cb 0.15 -1.12 -0.07 0.00 0.56 0.00 0.00 36.38 35.90 2nnz s VAL 104 CO -0.10 0.26 0.75 0.20 -0.31 0.00 0.00 175.10 175.90 2nnz s ASN 105 N -0.68 6.57 -0.70 4.85 0.01 -0.71 0.11 114.94 124.40 2nnz s ASN 105 Ca 0.06 1.15 -0.24 0.00 -0.71 0.00 0.00 52.86 53.12 2nnz s ASN 105 Cb -0.07 -2.33 0.06 0.00 0.41 0.00 0.00 41.25 39.32 2nnz s ASN 105 CO 0.00 -0.35 1.07 0.68 -1.51 0.00 0.00 177.10 176.99 2nnz s VAL 106 N -2.27 4.15 -0.60 1.60 -7.23 -1.26 0.04 120.40 114.82 2nnz s VAL 106 Ca 0.52 -0.18 0.03 0.00 -1.81 0.00 0.00 61.98 60.53 2nnz s VAL 106 Cb -0.10 -4.76 0.21 0.00 0.56 0.00 0.00 36.38 32.29 2nnz s VAL 106 CO 0.28 -1.59 0.96 0.00 -0.31 0.00 0.00 175.10 174.44 2nnz n ILE 107 N 6.06 1.00 0.00 -0.62 3.06 -0.69 -4.71 119.36 123.47 2nnz n ILE 107 Ca -0.00 -0.43 0.00 0.00 -2.50 0.00 0.00 62.75 59.82 2nnz n ILE 107 Cb 0.47 -0.56 0.00 0.00 0.54 0.00 0.00 39.64 40.09 2nnz n ILE 107 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2nnz n GLY 108 N 0.14 0.22 3.67 4.50 0.00 -1.21 -4.05 105.19 108.46 2nnz n GLY 108 Ca 0.10 -1.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.06 2nnz n GLY 108 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nnz s ARG 109 N 0.00 1.59 -0.34 1.61 0.52 -1.24 -0.29 118.95 120.80 2nnz s ARG 109 Ca 0.00 -1.01 -0.13 0.00 -0.52 0.00 0.00 55.73 54.07 2nnz s ARG 109 Cb 0.00 0.55 -0.01 0.00 0.52 0.00 0.00 34.95 36.00 2nnz s ARG 109 CO 0.00 -0.70 0.24 0.42 0.02 0.00 0.00 175.30 175.28 2nnz s ILE 110 N -3.93 5.22 0.00 1.52 1.01 -1.19 -1.78 121.20 122.05 2nnz s ILE 110 Ca 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.51 2nnz s ILE 110 Cb -0.03 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.74 2nnz s ILE 110 CO 0.04 -0.03 0.00 1.33 0.00 0.00 0.00 174.94 176.28 2nnz n VAL 111 N 5.10 0.00 -1.53 2.92 0.24 -1.25 -4.98 118.33 118.83 2nnz n VAL 111 Ca -0.13 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 61.97 2nnz n VAL 111 Cb 0.49 -0.70 0.15 0.00 -1.47 0.00 0.00 33.84 32.31 2nnz n VAL 111 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2nnz n ASN 112 N -0.63 -0.22 -1.22 -1.34 6.94 -1.26 -4.86 115.26 112.67 2nnz n ASN 112 Ca 0.00 -1.28 0.15 0.00 -0.02 0.00 0.00 54.58 53.43 2nnz n ASN 112 Cb 0.00 -0.71 -0.07 0.00 -2.36 0.00 0.00 39.78 36.63 2nnz n ASN 112 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2nnz n SER 113 N -3.72 -6.84 -4.56 0.53 7.64 -1.26 -4.07 113.62 101.34 2nnz n SER 113 Ca 0.12 1.12 -0.46 0.00 1.01 0.00 0.00 58.87 60.66 2nnz n SER 113 Cb 0.41 -4.12 -0.04 0.00 -1.01 0.00 0.00 64.21 59.44 2nnz n SER 113 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2nnz n MET 114 N -4.00 1.76 -1.32 1.43 1.56 -1.01 -4.81 117.12 110.73 2nnz n MET 114 Ca -0.07 0.52 -0.30 0.00 -0.27 0.00 0.00 57.70 57.58 2nnz n MET 114 Cb 0.58 -2.92 0.05 0.00 2.15 0.00 0.00 33.22 33.08 2nnz n MET 114 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 2nnz n GLU 115 N 8.28 2.43 -2.63 2.12 0.28 -1.26 -4.10 120.64 125.76 2nnz n GLU 115 Ca 0.32 -2.76 -0.10 0.00 -0.16 0.00 0.00 57.16 54.46 2nnz n GLU 115 Cb 0.36 -2.09 0.03 0.00 1.43 0.00 0.00 31.44 31.17 2nnz n GLU 115 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2nnz n GLY 116 N -0.34 2.77 0.50 -1.84 0.00 -1.26 -4.89 105.19 100.13 2nnz n GLY 116 Ca 0.51 -1.56 0.32 0.00 0.00 0.00 0.00 46.02 45.29 2nnz n GLY 116 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nnz h LEU 117 N 2.70 0.03 -0.83 0.99 5.85 -1.91 -1.71 115.31 120.43 2nnz h LEU 117 Ca -0.01 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.86 2nnz h LEU 117 Cb 1.23 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 2nnz h LEU 117 CO 0.46 0.01 0.99 0.07 -0.34 0.00 0.00 178.44 179.62 2nnz h LYS 118 N 0.02 0.00 -0.96 1.25 5.09 -1.90 0.27 116.57 120.34 2nnz h LYS 118 Ca 0.51 0.00 -0.17 0.00 0.09 0.00 0.00 60.65 61.08 2nnz h LYS 118 Cb 1.98 0.00 -0.10 0.00 0.10 0.00 0.00 32.23 34.22 2nnz h LYS 118 CO -0.02 0.00 0.21 0.41 -2.09 0.00 0.00 179.45 177.96 2nnz n GLY 119 N -1.57 2.82 3.83 0.07 0.00 -0.64 -4.70 105.19 105.00 2nnz n GLY 119 Ca 0.11 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 2nnz n GLY 119 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nnz s VAL 120 N -1.44 4.41 0.34 1.61 -7.23 0.93 -5.02 120.40 114.01 2nnz s VAL 120 Ca 0.23 1.20 -0.22 0.00 -1.81 0.00 0.00 61.98 61.38 2nnz s VAL 120 Cb 0.19 -3.66 -0.10 0.00 0.56 0.00 0.00 36.38 33.37 2nnz s VAL 120 CO 0.05 -0.62 0.88 0.00 -0.31 0.00 0.00 175.10 175.10 2nnz s ALA 121 N -2.55 3.20 -0.17 1.32 0.00 -1.26 -4.95 121.76 117.35 2nnz s ALA 121 Ca 0.60 0.36 -0.35 0.00 0.00 0.00 0.00 51.96 52.58 2nnz s ALA 121 Cb -0.11 -3.06 -0.12 0.00 0.00 0.00 0.00 23.12 19.83 2nnz s ALA 121 CO 0.30 0.20 1.94 -0.40 0.00 0.00 0.00 175.76 177.80 2nnz n ASP 122 N 0.07 3.09 -2.49 0.00 5.75 -1.26 -3.95 116.55 117.76 2nnz n ASP 122 Ca 0.03 0.85 -0.05 0.00 -0.01 0.00 0.00 54.79 55.61 2nnz n ASP 122 Cb 0.52 -1.33 -0.04 0.00 -1.03 0.00 0.00 41.12 39.24 2nnz n ASP 122 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2nnz n GLY 123 N 4.81 -4.95 3.27 6.12 0.00 -1.25 -4.97 105.19 108.21 2nnz n GLY 123 Ca 0.27 1.45 -0.14 0.00 0.00 0.00 0.00 46.02 47.60 2nnz n GLY 123 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2nnz s GLU 124 N -0.81 0.61 1.02 1.61 -1.05 -1.21 -5.00 118.70 113.86 2nnz s GLU 124 Ca -0.23 0.10 -0.19 0.00 -0.15 0.00 0.00 54.97 54.50 2nnz s GLU 124 Cb 0.02 0.28 -0.05 0.00 -0.44 0.00 0.00 34.13 33.94 2nnz s GLU 124 CO 0.71 -0.15 -0.46 0.45 0.95 0.00 0.00 175.26 176.77 2nnz n SER 125 N 1.82 -3.44 -3.65 0.83 2.88 -1.26 -2.28 113.62 108.52 2nnz n SER 125 Ca -0.18 0.11 -0.07 0.00 -1.33 0.00 0.00 58.87 57.39 2nnz n SER 125 Cb 0.57 -0.87 -0.07 0.00 -0.75 0.00 0.00 64.21 63.08 2nnz n SER 125 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2nnz s VAL 126 N -2.16 -0.15 -0.25 2.46 1.01 0.10 -4.44 120.40 116.97 2nnz s VAL 126 Ca 0.47 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.49 2nnz s VAL 126 Cb -0.11 -0.92 0.07 0.00 0.00 0.00 0.00 36.38 35.42 2nnz s VAL 126 CO 0.71 0.01 -0.04 0.68 0.00 0.00 0.00 175.10 176.46 2nnz s VAL 127 N 1.78 1.58 -0.06 2.92 -7.23 -1.24 0.13 120.40 118.28 2nnz s VAL 127 Ca -0.09 -1.36 -0.27 0.00 -1.81 0.00 0.00 61.98 58.45 2nnz s VAL 127 Cb -0.07 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 2nnz s VAL 127 CO -0.18 -0.19 0.86 -0.69 -0.31 0.00 0.00 175.10 174.59 2nnz s VAL 128 N 1.35 4.93 -0.19 1.32 1.01 -0.81 -3.74 120.40 124.28 2nnz s VAL 128 Ca -0.03 1.77 -0.11 0.00 0.00 0.00 0.00 61.98 63.61 2nnz s VAL 128 Cb -0.19 -4.19 0.06 0.00 0.00 0.00 0.00 36.38 32.06 2nnz s VAL 128 CO -0.08 0.16 0.45 -1.83 0.00 0.00 0.00 175.10 173.81 2nnz s GLU 129 N 1.18 0.45 -0.94 2.72 -1.05 -0.60 -1.30 118.70 119.15 2nnz s GLU 129 Ca 0.44 0.84 -0.24 0.00 -0.15 0.00 0.00 54.97 55.87 2nnz s GLU 129 Cb -0.19 0.02 0.02 0.00 -0.44 0.00 0.00 34.13 33.54 2nnz s GLU 129 CO 0.21 -0.15 1.61 0.50 0.95 0.00 0.00 175.26 178.38 2nnz s ARG 130 N 1.35 3.19 0.00 -4.83 3.00 -1.26 0.12 118.95 120.53 2nnz s ARG 130 Ca -0.09 -0.70 0.00 0.00 -1.00 0.00 0.00 55.73 53.94 2nnz s ARG 130 Cb -0.08 -5.11 0.00 0.00 0.00 0.00 0.00 34.95 29.76 2nnz s ARG 130 CO -0.13 -2.58 0.00 0.00 0.00 0.00 0.00 175.30 172.59