#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 2.51 0.11 -5.12 0.00 -1.26 -4.85 105.19 96.58 2nnz n GLY 2 Ca 0.00 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.08 2nnz n GLY 2 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2nnz h GLU 3 N 0.00 0.17 0.00 1.61 5.08 -2.02 -3.47 114.58 115.95 2nnz h GLU 3 Ca 0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2nnz h GLU 3 Cb 0.00 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2nnz h GLU 3 CO 0.00 1.00 0.00 0.54 -1.00 0.00 0.00 179.01 179.55 2nnz n ARG 4 N -3.59 0.00 0.00 2.33 5.12 -1.26 -3.72 116.66 115.55 2nnz n ARG 4 Ca -0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 2nnz n ARG 4 Cb 0.86 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.16 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 0.00 0.35 2.47 -0.13 0.00 -1.26 -5.04 105.19 101.57 2nnz n GLY 5 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2nnz n GLY 5 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2nnz n VAL 6 N 0.00 1.94 -2.72 1.61 0.24 -1.24 -4.18 118.33 113.98 2nnz n VAL 6 Ca 0.00 -5.08 -0.02 0.00 -2.04 0.00 0.00 64.34 57.20 2nnz n VAL 6 Cb 0.00 -1.88 0.10 0.00 -1.47 0.00 0.00 33.84 30.59 2nnz n VAL 6 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2nnz n GLU 7 N 0.72 1.46 -3.63 7.34 -0.58 -1.25 -4.85 120.64 119.85 2nnz n GLU 7 Ca 0.29 -1.94 -0.40 0.00 -0.42 0.00 0.00 57.16 54.69 2nnz n GLU 7 Cb 0.43 -0.21 -0.11 0.00 -0.57 0.00 0.00 31.44 30.98 2nnz n GLU 7 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 2nnz s MET 8 N -1.05 2.91 0.03 3.49 1.75 -1.20 -4.95 119.30 120.29 2nnz s MET 8 Ca 0.15 -1.01 0.05 0.00 -1.25 0.00 0.00 55.69 53.63 2nnz s MET 8 Cb 0.41 -3.66 -0.03 0.00 2.84 0.00 0.00 34.83 34.38 2nnz s MET 8 CO -0.10 -0.63 -0.10 -0.98 -0.65 0.00 0.00 175.02 172.56 2nnz s ARG 9 N 1.55 2.37 0.33 4.11 1.04 -1.26 -0.31 118.95 126.78 2nnz s ARG 9 Ca 0.02 -0.84 0.09 0.00 -1.04 0.00 0.00 55.73 53.97 2nnz s ARG 9 Cb -0.19 -2.39 -0.06 0.00 -2.04 0.00 0.00 34.95 30.27 2nnz s ARG 9 CO 0.06 0.57 -0.03 -0.48 -0.04 0.00 0.00 175.30 175.38 2nnz s LEU 10 N -1.56 2.90 0.04 -1.89 2.34 -0.49 -4.35 118.68 115.67 2nnz s LEU 10 Ca 0.17 -1.03 0.04 0.00 0.06 0.00 0.00 54.13 53.38 2nnz s LEU 10 Cb -0.11 -1.26 -0.04 0.00 -0.56 0.00 0.00 46.19 44.22 2nnz s LEU 10 CO 0.08 -0.19 -0.05 -0.60 -1.06 0.00 0.00 176.35 174.53 2nnz s ARG 11 N -3.67 2.51 -0.26 1.48 3.00 0.13 -3.02 118.95 119.12 2nnz s ARG 11 Ca 0.34 -0.79 -0.03 0.00 -1.00 0.00 0.00 55.73 54.25 2nnz s ARG 11 Cb -0.00 -2.50 0.11 0.00 0.00 0.00 0.00 34.95 32.56 2nnz s ARG 11 CO 0.18 0.57 0.22 0.42 0.00 0.00 0.00 175.30 176.70 2nnz s ILE 12 N -1.12 -0.27 0.18 4.11 1.01 -1.05 -2.06 121.20 122.01 2nnz s ILE 12 Ca 0.20 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.45 2nnz s ILE 12 Cb -0.11 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 2nnz s ILE 12 CO 0.11 -0.46 0.25 0.00 0.00 0.00 0.00 174.94 174.84 2nnz s ARG 13 N 2.27 3.23 -0.01 2.79 1.70 -1.25 -2.41 118.95 125.27 2nnz s ARG 13 Ca 0.08 -0.75 0.01 0.00 -0.47 0.00 0.00 55.73 54.60 2nnz s ARG 13 Cb -0.15 -2.82 0.00 0.00 -0.57 0.00 0.00 34.95 31.41 2nnz s ARG 13 CO -0.27 0.48 -0.02 -0.06 -1.08 0.00 0.00 175.30 174.36 2nnz s PHE 14 N -1.83 0.22 0.56 5.89 0.40 0.38 -3.93 117.98 119.68 2nnz s PHE 14 Ca 0.33 -0.03 0.40 0.00 -0.60 0.00 0.00 56.93 57.03 2nnz s PHE 14 Cb -0.10 -0.19 1.52 0.00 0.51 0.00 0.00 43.02 44.76 2nnz s PHE 14 CO 0.27 -0.03 1.66 0.93 0.70 0.00 0.00 175.22 178.74 2nnz h GLU 15 N 6.36 0.00 0.00 0.44 3.07 -1.98 0.28 114.58 122.75 2nnz h GLU 15 Ca -0.30 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.55 2nnz h GLU 15 Cb 1.19 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.06 2nnz h GLU 15 CO 0.50 0.00 -0.29 -1.13 -1.40 0.00 0.00 179.01 176.69 2nnz n SER 16 N -3.91 1.61 -3.61 1.42 3.41 -1.26 -5.07 113.62 106.21 2nnz n SER 16 Ca 0.31 -2.92 -0.05 0.00 -0.26 0.00 0.00 58.87 55.95 2nnz n SER 16 Cb 1.52 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 65.05 2nnz n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nnz s ALA 17 N -2.09 -2.07 0.03 7.33 0.00 1.00 -5.01 121.76 120.95 2nnz s ALA 17 Ca 0.26 1.71 0.04 0.00 0.00 0.00 0.00 51.96 53.98 2nnz s ALA 17 Cb 0.24 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2nnz s ALA 17 CO -0.01 -0.41 -0.12 -1.83 0.00 0.00 0.00 175.76 173.39 2nnz s GLU 18 N -1.64 0.85 -0.10 0.00 -1.05 -1.26 0.14 118.70 115.64 2nnz s GLU 18 Ca 0.07 -0.63 -0.30 0.00 -0.15 0.00 0.00 54.97 53.96 2nnz s GLU 18 Cb -0.01 -0.82 0.09 0.00 -0.44 0.00 0.00 34.13 32.95 2nnz s GLU 18 CO -0.05 0.21 0.80 0.00 0.95 0.00 0.00 175.26 177.17 2nnz s GLU 20 N -1.04 1.24 -0.17 0.00 2.02 -1.26 -2.52 118.70 116.97 2nnz s GLU 20 Ca -0.07 -1.45 -0.14 0.00 0.02 0.00 0.00 54.97 53.33 2nnz s GLU 20 Cb -0.01 -1.15 0.05 0.00 0.10 0.00 0.00 34.13 33.12 2nnz s GLU 20 CO 0.06 0.21 0.43 0.54 0.02 0.00 0.00 175.26 176.53 2nnz s VAL 21 N -2.46 -0.00 0.64 2.63 0.11 -1.17 -3.42 120.40 116.73 2nnz s VAL 21 Ca 0.17 0.02 -0.00 0.00 -2.93 0.00 0.00 61.98 59.23 2nnz s VAL 21 Cb -0.03 -0.61 0.13 0.00 -1.53 0.00 0.00 36.38 34.33 2nnz s VAL 21 CO 0.06 0.01 0.88 -0.62 -3.33 0.00 0.00 175.10 172.09 2nnz n GLU 22 N 3.09 -0.02 -3.70 1.54 4.71 -0.74 -1.39 120.64 124.13 2nnz n GLU 22 Ca -0.15 -2.39 -0.14 0.00 -0.01 0.00 0.00 57.16 54.47 2nnz n GLU 22 Cb 0.57 -0.58 -0.08 0.00 -1.01 0.00 0.00 31.44 30.33 2nnz n GLU 22 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 2nnz s LEU 23 N 0.00 0.34 0.07 -4.62 2.96 0.57 -3.57 118.68 114.44 2nnz s LEU 23 Ca 0.58 0.49 0.08 0.00 -0.22 0.00 0.00 54.13 55.07 2nnz s LEU 23 Cb -0.03 1.63 -0.03 0.00 0.50 0.00 0.00 46.19 48.25 2nnz s LEU 23 CO 0.39 -0.38 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.50 2nnz s TYR 24 N -0.77 1.96 -0.93 5.38 2.02 -1.26 -3.22 117.35 120.52 2nnz s TYR 24 Ca -0.08 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 2nnz s TYR 24 Cb -0.03 -1.14 0.00 0.00 -0.40 0.00 0.00 41.96 40.39 2nnz s TYR 24 CO 0.04 0.15 0.89 0.39 -1.57 0.00 0.00 175.55 175.45 2nnz n GLU 25 N 1.55 0.00 -0.11 -0.62 1.02 -1.26 -3.11 120.64 118.11 2nnz n GLU 25 Ca -0.18 0.39 0.26 0.00 -0.02 0.00 0.00 57.16 57.62 2nnz n GLU 25 Cb 0.53 -1.56 0.60 0.00 -0.02 0.00 0.00 31.44 30.98 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 -1.94 0.94 114.58 121.18 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 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2nnz h GLU 26 CO 0.00 0.00 -0.09 2.35 0.07 0.00 0.00 179.01 181.34 2nnz h TRP 27 N 0.00 0.00 0.00 2.06 7.01 -1.83 -3.43 115.95 119.76 2nnz h TRP 27 Ca 0.39 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.39 2nnz h TRP 27 Cb 2.17 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 29.23 2nnz h TRP 27 CO 0.00 0.40 0.00 0.00 -2.79 0.00 0.00 178.44 176.05 2nnz n ALA 28 N -2.81 0.00 -0.23 2.65 0.00 0.33 -4.59 120.51 115.86 2nnz n ALA 28 Ca -0.05 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.70 2nnz n ALA 28 Cb 0.21 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.35 2nnz n ALA 28 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2nnz h PRO 29 N 0.00 0.00 -0.33 0.00 0.13 -1.94 0.19 132.00 130.04 2nnz h PRO 29 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.04 2nnz h PRO 29 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2nnz h PRO 29 CO 0.00 0.00 -0.13 0.93 -0.23 0.00 0.00 178.00 178.57 2nnz h GLU 30 N 0.00 0.68 -0.14 0.86 4.39 -1.95 -3.13 114.58 115.28 2nnz h GLU 30 Ca 0.49 -0.28 -0.07 0.00 0.34 0.00 0.00 59.36 59.84 2nnz h GLU 30 Cb 2.26 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.88 2nnz h GLU 30 CO -0.01 0.87 -0.17 1.79 -1.16 0.00 0.00 179.01 180.33 2nnz h THR 31 N 0.45 1.35 -1.15 1.13 1.35 -1.02 -3.02 112.91 112.00 2nnz h THR 31 Ca 0.08 -1.37 0.33 0.00 -0.55 0.00 0.00 66.41 64.90 2nnz h THR 31 Cb 0.65 1.92 -0.05 0.00 -1.73 0.00 0.00 68.15 68.95 2nnz h THR 31 CO 0.04 0.40 0.88 0.58 -0.25 0.00 0.00 175.52 177.17 2nnz h VAL 32 N -0.01 0.35 -0.85 6.82 2.07 -1.47 0.36 116.25 123.51 2nnz h VAL 32 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2nnz h VAL 32 Cb 0.72 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2nnz h VAL 32 CO 0.04 0.00 0.54 -0.09 0.02 0.00 0.00 177.57 178.08 2nnz h ARG 33 N 0.00 1.13 -0.17 1.57 2.43 -1.47 -2.00 114.38 115.88 2nnz h ARG 33 Ca 0.55 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.61 2nnz h ARG 33 Cb 2.29 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 31.59 2nnz h ARG 33 CO -0.01 0.77 0.02 0.00 -1.51 0.00 0.00 179.97 179.24 2nnz h ALA 34 N 1.44 0.22 -0.22 2.80 0.00 -0.43 0.05 119.26 123.13 2nnz h ALA 34 Ca 0.31 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2nnz h ALA 34 Cb -0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2nnz h ALA 34 CO -0.06 -0.09 -0.06 0.82 0.00 0.00 0.00 179.25 179.85 2nnz h ILE 35 N 0.05 0.77 0.00 0.00 1.08 -1.49 0.48 117.51 118.40 2nnz h ILE 35 Ca 0.05 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.49 2nnz h ILE 35 Cb 0.34 0.77 -0.00 0.00 -3.07 0.00 0.00 36.82 34.85 2nnz h ILE 35 CO 0.01 0.00 -0.13 0.00 -0.69 0.00 0.00 178.15 177.34 2nnz h ALA 36 N 1.20 1.51 0.00 1.87 0.00 -1.29 -0.93 119.26 121.63 2nnz h ALA 36 Ca 0.11 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2nnz h ALA 36 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2nnz h ALA 36 CO -0.23 0.16 -0.27 0.22 0.00 0.00 0.00 179.25 179.13 2nnz h ASP 37 N 0.00 0.00 -1.76 0.00 1.82 0.11 -3.26 116.42 113.33 2nnz h ASP 37 Ca -0.00 0.00 -0.71 0.00 -0.39 0.00 0.00 57.03 55.93 2nnz h ASP 37 Cb 0.27 0.00 -0.25 0.00 0.68 0.00 0.00 39.33 40.03 2nnz h ASP 37 CO 0.02 0.27 0.92 0.00 -1.61 0.00 0.00 179.24 178.84 2nnz n ALA 38 N -2.22 6.49 -1.00 -0.78 0.00 -0.31 -5.00 120.51 117.70 2nnz n ALA 38 Ca 0.01 -3.86 0.00 0.00 0.00 0.00 0.00 53.44 49.59 2nnz n ALA 38 Cb 0.50 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 -0.27 0.00 -1.85 0.00 4.77 -1.23 -4.55 117.00 113.87 2nnz n LEU 39 Ca 0.53 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 56.28 2nnz n LEU 39 Cb 0.32 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 2nnz n LEU 39 CO 0.49 -0.45 0.81 -2.65 -1.33 0.00 0.00 177.39 174.26 2nnz n PRO 40 N 0.00 0.00 -3.77 3.23 -0.02 -0.25 -4.51 135.00 129.68 2nnz n PRO 40 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 2nnz n PRO 40 Cb 0.00 -0.64 -0.09 0.00 -0.02 0.00 0.00 33.50 32.75 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 3.00 0.06 0.02 4.25 1.01 -0.52 -4.96 121.20 124.06 2nnz s ILE 41 Ca 0.53 -0.47 -0.24 0.00 0.00 0.00 0.00 60.65 60.48 2nnz s ILE 41 Cb -0.60 -0.60 -0.05 0.00 0.01 0.00 0.00 42.46 41.22 2nnz s ILE 41 CO 0.26 -0.26 0.72 -0.54 0.00 0.00 0.00 174.94 175.12 2nnz s LYS 42 N -1.28 4.45 -0.00 2.79 1.02 -1.26 -1.99 119.74 123.46 2nnz s LYS 42 Ca -0.13 0.97 -0.08 0.00 0.02 0.00 0.00 55.97 56.74 2nnz s LYS 42 Cb -0.05 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 2nnz s LYS 42 CO 0.04 0.28 0.16 -1.54 -0.92 0.00 0.00 175.35 173.37 2nnz s SER 43 N 0.02 -0.01 -0.17 2.83 1.04 0.39 -4.89 113.70 112.91 2nnz s SER 43 Ca 0.37 -0.15 -0.08 0.00 0.48 0.00 0.00 55.95 56.56 2nnz s SER 43 Cb -0.20 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 2nnz s SER 43 CO 0.21 -0.37 0.10 -0.89 0.98 0.00 0.00 173.24 173.27 2nnz s THR 44 N -1.32 5.16 0.01 2.02 2.01 -1.26 0.96 115.64 123.22 2nnz s THR 44 Ca -0.14 0.10 -0.18 0.00 0.31 0.00 0.00 61.69 61.77 2nnz s THR 44 Cb -0.07 -3.31 -0.06 0.00 0.01 0.00 0.00 72.50 69.07 2nnz s THR 44 CO 0.02 0.49 0.52 0.00 -0.69 0.00 0.00 174.62 174.96 2nnz s ALA 45 N -0.01 3.58 -0.25 7.40 0.00 0.41 -4.24 121.76 128.66 2nnz s ALA 45 Ca 0.08 -0.07 -0.07 0.00 0.00 0.00 0.00 51.96 51.90 2nnz s ALA 45 Cb -0.12 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 2nnz s ALA 45 CO 0.00 0.31 0.06 -0.80 0.00 0.00 0.00 175.76 175.33 2nnz s ASN 46 N -0.63 5.04 -0.10 0.00 0.01 -1.06 -3.38 114.94 114.81 2nnz s ASN 46 Ca 0.28 -0.23 -0.25 0.00 -0.71 0.00 0.00 52.86 51.95 2nnz s ASN 46 Cb -0.18 -1.90 -0.03 0.00 0.41 0.00 0.00 41.25 39.55 2nnz s ASN 46 CO 0.16 -0.03 0.80 -0.13 -1.51 0.00 0.00 177.10 176.38 2nnz s ARG 47 N 1.59 4.39 -0.02 -0.60 3.00 -1.26 -3.37 118.95 122.68 2nnz s ARG 47 Ca 0.06 1.02 -0.10 0.00 0.00 0.00 0.00 55.73 56.71 2nnz s ARG 47 Cb -0.15 -3.50 0.01 0.00 0.00 0.00 0.00 34.95 31.31 2nnz s ARG 47 CO 0.03 -0.12 0.21 -0.46 0.00 0.00 0.00 175.30 174.96 2nnz s TRP 48 N 1.41 -0.08 -0.72 -0.53 -0.11 -0.32 -4.93 118.94 113.65 2nnz s TRP 48 Ca 0.40 0.12 -0.11 0.00 1.22 0.00 0.00 56.10 57.73 2nnz s TRP 48 Cb -0.18 0.02 -0.22 0.00 -1.50 0.00 0.00 33.47 31.60 2nnz s TRP 48 CO 0.17 -0.30 1.67 0.41 -4.62 0.00 0.00 176.95 174.28 2nnz n GLY 49 N 1.62 -0.36 4.40 5.86 0.00 -1.26 -0.62 105.19 114.83 2nnz n GLY 49 Ca -0.21 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 5.05 0.00 -4.75 1.61 2.03 -1.26 -3.89 116.55 115.34 2nnz n ASP 50 Ca 0.49 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.39 2nnz n ASP 50 Cb 0.08 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.42 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 4.80 -0.18 -0.67 -6.30 0.21 -4.51 118.70 112.06 2nnz s GLU 51 Ca 0.00 1.55 -0.04 0.00 -2.50 0.00 0.00 54.97 53.97 2nnz s GLU 51 Cb 0.00 -3.27 0.08 0.00 0.00 0.00 0.00 34.13 30.94 2nnz s GLU 51 CO 0.00 0.43 0.21 0.42 0.02 0.00 0.00 175.26 176.33 2nnz s ILE 52 N -1.04 -0.31 -0.02 -3.70 1.01 -1.26 -1.18 121.20 114.71 2nnz s ILE 52 Ca 0.42 -0.01 0.06 0.00 0.00 0.00 0.00 60.65 61.13 2nnz s ILE 52 Cb -0.27 -0.59 -0.02 0.00 0.01 0.00 0.00 42.46 41.60 2nnz s ILE 52 CO 0.33 -0.13 -0.21 -0.72 0.00 0.00 0.00 174.94 174.22 2nnz s TYR 53 N 2.32 1.90 -0.01 3.97 -0.85 -1.22 -2.91 117.35 120.55 2nnz s TYR 53 Ca 0.05 -0.37 -0.02 0.00 -0.52 0.00 0.00 57.07 56.22 2nnz s TYR 53 Cb -0.15 -1.22 -0.00 0.00 0.38 0.00 0.00 41.96 40.97 2nnz s TYR 53 CO -0.11 -0.04 0.04 -0.59 -1.52 0.00 0.00 175.55 173.33 2nnz s PHE 54 N -0.46 0.02 0.14 -3.49 -0.12 -1.21 -2.58 117.98 110.29 2nnz s PHE 54 Ca 0.07 -0.03 -0.12 0.00 -0.05 0.00 0.00 56.93 56.80 2nnz s PHE 54 Cb -0.08 -0.03 -0.07 0.00 -0.63 0.00 0.00 43.02 42.21 2nnz s PHE 54 CO -0.01 -0.08 0.51 0.99 -0.05 0.00 0.00 175.22 176.59 2nnz s THR 55 N -0.39 4.93 -0.01 -4.49 2.01 -1.26 -3.73 115.64 112.70 2nnz s THR 55 Ca -0.04 0.66 0.00 0.00 0.31 0.00 0.00 61.69 62.62 2nnz s THR 55 Cb -0.03 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.79 2nnz s THR 55 CO -0.00 0.20 0.75 0.35 -0.69 0.00 0.00 174.62 175.23 2nnz n THR 56 N 0.65 0.50 -0.23 -0.82 -2.24 -1.26 -4.35 114.28 106.53 2nnz n THR 56 Ca -0.05 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 2nnz n THR 56 Cb 0.52 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 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 -0.24 0.00 -2.89 -0.78 6.02 -1.26 -4.98 117.38 113.25 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 0.13 -1.53 -0.04 0.00 1.02 0.00 0.00 30.24 29.81 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 -3.10 4.71 -0.68 5.09 0.11 -1.26 -5.00 120.40 120.28 2nnz s VAL 58 Ca 0.00 1.19 -0.14 0.00 -2.93 0.00 0.00 61.98 60.10 2nnz s VAL 58 Cb 0.00 -4.22 0.17 0.00 -1.53 0.00 0.00 36.38 30.80 2nnz s VAL 58 CO 0.00 -0.36 0.62 0.00 -3.33 0.00 0.00 175.10 172.04 2nnz s ALA 59 N 3.15 3.85 -0.27 1.54 0.00 -1.26 -4.88 121.76 123.89 2nnz s ALA 59 Ca 0.35 -2.94 0.01 0.00 0.00 0.00 0.00 51.96 49.38 2nnz s ALA 59 Cb -0.13 -3.36 0.07 0.00 0.00 0.00 0.00 23.12 19.70 2nnz s ALA 59 CO 0.15 -2.14 -0.02 0.54 0.00 0.00 0.00 175.76 174.29 2nnz s VAL 60 N 0.84 1.65 -0.04 0.00 0.11 -1.26 -5.10 120.40 116.59 2nnz s VAL 60 Ca 0.11 -1.51 0.02 0.00 -2.93 0.00 0.00 61.98 57.66 2nnz s VAL 60 Cb -0.20 -2.00 0.01 0.00 -1.53 0.00 0.00 36.38 32.66 2nnz s VAL 60 CO -0.03 -0.28 -0.06 -1.61 -3.33 0.00 0.00 175.10 169.79 2nnz s GLU 61 N 1.30 0.89 0.16 1.54 2.02 -1.26 -4.79 118.70 118.56 2nnz s GLU 61 Ca -0.01 -0.19 -0.12 0.00 0.02 0.00 0.00 54.97 54.68 2nnz s GLU 61 Cb -0.19 -0.85 0.01 0.00 0.10 0.00 0.00 34.13 33.20 2nnz s GLU 61 CO -0.09 -0.00 0.35 0.21 0.02 0.00 0.00 175.26 175.74 2nnz s LYS 62 N 0.60 1.16 -0.95 1.61 2.47 -1.26 -5.10 119.74 118.28 2nnz s LYS 62 Ca -0.09 -1.01 -0.16 0.00 -1.56 0.00 0.00 55.97 53.15 2nnz s LYS 62 Cb -0.12 0.42 0.17 0.00 -1.46 0.00 0.00 37.83 36.84 2nnz s LYS 62 CO 0.01 -0.44 1.05 -1.21 0.16 0.00 0.00 175.35 174.92 2nnz s GLU 63 N -3.91 3.70 -0.20 4.03 8.01 -1.26 -4.94 118.70 124.13 2nnz s GLU 63 Ca 0.12 -2.18 -0.29 0.00 0.01 0.00 0.00 54.97 52.63 2nnz s GLU 63 Cb 0.02 -4.76 0.14 0.00 -4.31 0.00 0.00 34.13 25.22 2nnz s GLU 63 CO -0.04 -1.59 1.06 -1.83 0.01 0.00 0.00 175.26 172.88 2nnz s GLU 64 N 1.50 0.50 0.64 1.61 -1.05 -1.26 -5.05 118.70 115.59 2nnz s GLU 64 Ca 0.29 0.20 0.00 0.00 -0.15 0.00 0.00 54.97 55.31 2nnz s GLU 64 Cb -0.06 0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.86 2nnz s GLU 64 CO -0.08 -0.14 0.00 -1.71 0.95 0.00 0.00 175.26 174.28 2nnz n ASN 65 N 0.98 0.00 -1.30 0.83 2.85 -1.26 -4.89 115.26 112.47 2nnz n ASN 65 Ca -0.09 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.33 2nnz n ASN 65 Cb 0.58 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.60 2nnz n ASN 65 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2nnz n SER 66 N 3.85 -0.90 -4.98 1.20 7.64 -1.26 -4.90 113.62 114.27 2nnz n SER 66 Ca 0.00 -0.01 -0.20 0.00 1.01 0.00 0.00 58.87 59.67 2nnz n SER 66 Cb 0.00 -0.25 -0.01 0.00 -1.01 0.00 0.00 64.21 62.94 2nnz n SER 66 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2nnz s LYS 67 N -0.34 3.28 0.00 1.43 0.00 0.31 -4.53 119.74 119.88 2nnz s LYS 67 Ca 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 55.97 55.15 2nnz s LYS 67 Cb -0.00 -2.84 0.00 0.00 0.00 0.00 0.00 37.83 34.98 2nnz s LYS 67 CO 0.11 0.23 0.43 -0.40 0.00 0.00 0.00 175.35 175.72 2nnz n ASP 68 N -1.55 0.87 -3.96 0.03 5.68 -1.26 0.44 116.55 116.80 2nnz n ASP 68 Ca -0.04 -1.00 -0.12 0.00 -0.50 0.00 0.00 54.79 53.13 2nnz n ASP 68 Cb 0.58 0.01 -0.13 0.00 -1.14 0.00 0.00 41.12 40.44 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 -0.01 0.21 0.12 2.12 1.01 -1.26 -4.61 120.40 117.99 2nnz s VAL 69 Ca 0.00 -0.56 -0.23 0.00 0.00 0.00 0.00 61.98 61.19 2nnz s VAL 69 Cb 0.00 -0.27 0.06 0.00 0.00 0.00 0.00 36.38 36.17 2nnz s VAL 69 CO 0.00 -0.23 0.57 0.68 0.00 0.00 0.00 175.10 176.13 2nnz s VAL 70 N -0.79 0.01 0.18 2.92 -7.23 -1.26 -5.08 120.40 109.15 2nnz s VAL 70 Ca -0.07 -0.11 -0.06 0.00 -1.81 0.00 0.00 61.98 59.94 2nnz s VAL 70 Cb -0.06 -1.02 -0.06 0.00 0.56 0.00 0.00 36.38 35.80 2nnz s VAL 70 CO -0.00 -0.06 0.44 -1.61 -0.31 0.00 0.00 175.10 173.56 2nnz s GLU 71 N -3.40 3.66 -0.12 4.82 2.02 -1.26 -4.94 118.70 119.48 2nnz s GLU 71 Ca -0.00 -0.00 -0.39 0.00 0.02 0.00 0.00 54.97 54.59 2nnz s GLU 71 Cb -0.00 -2.77 -0.17 0.00 0.10 0.00 0.00 34.13 31.29 2nnz s GLU 71 CO -0.10 0.40 1.52 -0.11 0.02 0.00 0.00 175.26 176.99 2nnz n LEU 72 N -0.13 1.86 0.00 1.80 7.94 -1.26 -2.35 117.00 124.85 2nnz n LEU 72 Ca -0.02 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 2nnz n LEU 72 Cb 0.52 -1.13 0.00 0.00 0.53 0.00 0.00 43.42 43.34 2nnz n LEU 72 CO 0.48 -0.81 0.00 0.61 -1.11 0.00 0.00 177.39 176.56 2nnz n GLY 73 N 3.30 1.18 3.84 -3.96 0.00 -1.26 -5.10 105.19 103.20 2nnz n GLY 73 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.47 6.22 0.14 1.61 1.47 -0.99 -3.34 116.67 121.31 2nnz s ASP 74 Ca 0.00 1.56 0.07 0.00 1.18 0.00 0.00 52.55 55.36 2nnz s ASP 74 Cb 0.00 -2.50 -0.04 0.00 -0.34 0.00 0.00 42.92 40.04 2nnz s ASP 74 CO 0.00 -0.87 -0.03 -0.69 0.68 0.00 0.00 175.17 174.26 2nnz s VAL 75 N -2.83 3.67 -0.01 2.11 1.01 -0.83 -4.48 120.40 119.04 2nnz s VAL 75 Ca 0.58 -1.29 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 2nnz s VAL 75 Cb -0.12 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.49 2nnz s VAL 75 CO 0.42 0.00 0.30 0.00 0.00 0.00 0.00 175.10 175.82 2nnz s ALA 76 N -1.50 -0.75 -0.16 5.51 0.00 -1.25 -1.69 121.76 121.93 2nnz s ALA 76 Ca 0.25 0.27 -0.06 0.00 0.00 0.00 0.00 51.96 52.43 2nnz s ALA 76 Cb -0.10 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 2nnz s ALA 76 CO 0.17 -0.27 0.03 -0.47 0.00 0.00 0.00 175.76 175.22 2nnz s TYR 77 N -1.42 3.19 -0.30 0.00 5.04 0.21 -2.78 117.35 121.29 2nnz s TYR 77 Ca -0.13 0.00 -0.29 0.00 -2.44 0.00 0.00 57.07 54.22 2nnz s TYR 77 Cb -0.05 -2.00 -0.01 0.00 0.35 0.00 0.00 41.96 40.25 2nnz s TYR 77 CO 0.04 0.17 1.53 -0.46 -1.34 0.00 0.00 175.55 175.48 2nnz s TRP 78 N 0.15 2.26 -0.00 4.97 -0.11 0.29 -1.21 118.94 125.28 2nnz s TRP 78 Ca 0.03 0.66 -0.09 0.00 1.22 0.00 0.00 56.10 57.92 2nnz s TRP 78 Cb -0.13 -4.06 -0.05 0.00 -1.50 0.00 0.00 33.47 27.73 2nnz s TRP 78 CO 0.01 -2.45 0.72 0.82 -4.62 0.00 0.00 176.95 171.43 2nnz h ILE 79 N 6.28 0.00 -0.18 5.86 2.04 -1.80 -2.27 117.51 127.44 2nnz h ILE 79 Ca -0.31 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.31 2nnz h ILE 79 Cb 1.13 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2nnz h ILE 79 CO 1.03 0.00 0.26 -2.84 0.00 0.00 0.00 178.15 176.60 2nnz s PRO 80 N -2.94 1.42 0.00 2.37 0.02 -1.26 -0.83 135.00 133.78 2nnz s PRO 80 Ca -0.05 -0.58 0.00 0.00 0.02 0.00 0.00 61.00 60.39 2nnz s PRO 80 Cb 0.00 -5.03 0.00 0.00 0.02 0.00 0.00 34.50 29.49 2nnz s PRO 80 CO 0.14 -5.23 0.00 0.41 -0.33 0.00 0.00 177.00 171.98 2nnz n GLY 81 N 6.07 0.25 3.58 0.52 0.00 -1.26 -4.87 105.19 109.48 2nnz n GLY 81 Ca 0.42 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.08 -5.03 1.61 4.01 -0.01 -4.96 118.16 109.70 2nnz n LYS 82 Ca 0.00 0.54 -0.32 0.00 -0.51 0.00 0.00 58.31 58.02 2nnz n LYS 82 Cb 0.00 -5.32 -0.15 0.00 -0.51 0.00 0.00 35.03 29.06 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 -3.09 2.46 0.25 7.82 0.00 -0.88 -4.67 121.76 123.64 2nnz s ALA 83 Ca 0.50 -1.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.31 2nnz s ALA 83 Cb -0.26 -0.86 -0.08 0.00 0.00 0.00 0.00 23.12 21.91 2nnz s ALA 83 CO 0.62 0.48 0.66 0.42 0.00 0.00 0.00 175.76 177.94 2nnz s ILE 84 N -0.43 4.73 -0.05 0.00 1.01 -1.24 0.10 121.20 125.32 2nnz s ILE 84 Ca 0.05 0.92 -0.02 0.00 0.00 0.00 0.00 60.65 61.59 2nnz s ILE 84 Cb -0.12 -3.70 0.03 0.00 0.01 0.00 0.00 42.46 38.69 2nnz s ILE 84 CO 0.02 0.02 0.12 0.00 0.00 0.00 0.00 174.94 175.10 2nnz s LEU 86 N 0.99 3.62 -0.03 0.00 0.20 -1.15 -3.76 118.68 118.56 2nnz s LEU 86 Ca -0.08 0.95 0.01 0.00 0.69 0.00 0.00 54.13 55.70 2nnz s LEU 86 Cb -0.10 -3.91 0.02 0.00 -0.43 0.00 0.00 46.19 41.77 2nnz s LEU 86 CO -0.05 -0.58 -0.02 -0.36 -0.29 0.00 0.00 176.35 175.05 2nnz s PHE 87 N -2.74 0.44 -0.08 5.38 0.08 -1.26 -4.13 117.98 115.66 2nnz s PHE 87 Ca 0.48 -0.07 0.03 0.00 0.12 0.00 0.00 56.93 57.49 2nnz s PHE 87 Cb -0.10 -0.43 0.10 0.00 -0.57 0.00 0.00 43.02 42.02 2nnz s PHE 87 CO 0.45 -0.11 0.92 1.19 -0.10 0.00 0.00 175.22 177.56 2nnz n PHE 88 N 3.80 -0.51 -0.20 0.36 3.72 -1.26 -4.49 117.46 118.87 2nnz n PHE 88 Ca -0.23 -0.67 0.00 0.00 -0.05 0.00 0.00 57.45 56.50 2nnz n PHE 88 Cb 0.53 0.72 0.00 0.00 -0.94 0.00 0.00 39.48 39.79 2nnz n PHE 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nnz n GLY 89 N -0.38 -0.44 0.83 1.37 0.00 -1.26 -5.01 105.19 100.29 2nnz n GLY 89 Ca -0.18 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 44.95 2nnz n GLY 89 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2nnz n LYS 90 N 0.00 -1.17 -2.72 1.61 -0.00 -1.26 -4.91 118.16 109.71 2nnz n LYS 90 Ca 0.00 -0.26 -0.06 0.00 -0.00 0.00 0.00 58.31 57.99 2nnz n LYS 90 Cb 0.00 -0.44 0.02 0.00 -0.00 0.00 0.00 35.03 34.61 2nnz n LYS 90 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2nnz n THR 91 N -3.27 0.00 -0.18 0.58 -2.24 -1.25 -4.33 114.28 103.59 2nnz n THR 91 Ca 0.02 -0.62 0.27 0.00 -2.27 0.00 0.00 64.05 61.46 2nnz n THR 91 Cb 0.11 0.61 0.48 0.00 -2.10 0.00 0.00 70.33 69.43 2nnz n THR 91 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2nnz h PRO 92 N 0.00 0.00 -1.33 -0.78 0.11 -1.84 -2.50 132.00 125.66 2nnz h PRO 92 Ca -0.21 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.47 2nnz h PRO 92 Cb 0.76 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.56 2nnz h PRO 92 CO 0.26 0.00 -0.91 0.44 -0.21 0.00 0.00 178.00 177.58 2nnz n ILE 93 N -3.31 -0.38 0.00 4.15 -0.00 -1.26 -5.03 119.36 113.52 2nnz n ILE 93 Ca 0.21 -3.27 0.00 0.00 -0.00 0.00 0.00 62.75 59.70 2nnz n ILE 93 Cb 1.42 -0.54 0.00 0.00 -0.00 0.00 0.00 39.64 40.51 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 1.21 0.00 0.00 7.28 7.64 -0.94 -4.27 113.62 124.54 2nnz n SER 94 Ca 0.17 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.76 2nnz n SER 94 Cb 0.59 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 2nnz n SER 94 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2nnz n ASP 95 N -1.45 0.00 -0.02 6.43 2.03 -1.26 -2.00 116.55 120.28 2nnz n ASP 95 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 2nnz n ASP 95 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 2nnz n ASP 95 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2nnz n ASP 96 N 6.84 3.85 -0.52 1.67 5.68 -1.26 -5.08 116.55 127.74 2nnz n ASP 96 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2nnz n ASP 96 Cb 0.00 0.78 0.00 0.00 -1.14 0.00 0.00 41.12 40.76 2nnz n ASP 96 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2nnz n LYS 97 N -2.04 1.93 -4.01 0.11 5.02 -0.85 -5.14 118.16 113.19 2nnz n LYS 97 Ca -0.06 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.89 2nnz n LYS 97 Cb 0.51 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.37 2nnz n LYS 97 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2nnz s ILE 98 N -0.36 2.62 -0.37 -0.18 1.01 -1.26 -4.34 121.20 118.31 2nnz s ILE 98 Ca 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.67 2nnz s ILE 98 Cb 0.00 -2.27 0.11 0.00 0.01 0.00 0.00 42.46 40.30 2nnz s ILE 98 CO 0.00 0.30 0.11 -0.13 0.00 0.00 0.00 174.94 175.23 2nnz s ARG 99 N 1.31 1.67 0.30 2.79 0.52 -1.26 -4.71 118.95 119.57 2nnz s ARG 99 Ca 0.01 -1.90 0.09 0.00 -0.52 0.00 0.00 55.73 53.42 2nnz s ARG 99 Cb -0.16 -3.34 0.47 0.00 0.52 0.00 0.00 34.95 32.45 2nnz s ARG 99 CO -0.07 -0.99 1.69 -1.00 0.02 0.00 0.00 175.30 174.95 2nnz h PRO 100 N 7.70 0.12 0.00 3.54 0.13 -1.95 -3.37 132.00 138.18 2nnz h PRO 100 Ca -0.07 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2nnz h PRO 100 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2nnz h PRO 100 CO 0.58 0.57 0.00 0.00 -0.23 0.00 0.00 178.00 178.93 2nnz n ALA 101 N -2.46 0.00 0.38 -0.56 0.00 -1.26 -4.84 120.51 111.77 2nnz n ALA 101 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.47 2nnz n ALA 101 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 2nnz n ALA 101 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2nnz n SER 102 N 0.03 1.03 -2.71 0.00 7.64 -1.26 -4.79 113.62 113.55 2nnz n SER 102 Ca 0.00 -1.02 -0.05 0.00 1.01 0.00 0.00 58.87 58.81 2nnz n SER 102 Cb 0.00 0.52 0.05 0.00 -1.01 0.00 0.00 64.21 63.77 2nnz n SER 102 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nnz n ALA 103 N -0.38 -2.65 -2.43 -0.43 0.00 -1.25 -4.69 120.51 108.69 2nnz n ALA 103 Ca 0.03 -0.70 -0.27 0.00 0.00 0.00 0.00 53.44 52.51 2nnz n ALA 103 Cb 0.17 -2.34 -0.15 0.00 0.00 0.00 0.00 19.45 17.13 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 0.61 1.65 0.35 0.00 -7.23 0.17 -3.27 120.40 112.68 2nnz s VAL 104 Ca 0.28 -0.92 -0.16 0.00 -1.81 0.00 0.00 61.98 59.37 2nnz s VAL 104 Cb 0.16 -1.37 -0.09 0.00 0.56 0.00 0.00 36.38 35.63 2nnz s VAL 104 CO -0.13 0.44 0.78 0.20 -0.31 0.00 0.00 175.10 176.08 2nnz s ASN 105 N -0.55 6.78 -0.69 4.85 0.01 -0.35 0.11 114.94 125.11 2nnz s ASN 105 Ca 0.08 1.35 -0.25 0.00 -0.71 0.00 0.00 52.86 53.33 2nnz s ASN 105 Cb -0.08 -2.40 0.05 0.00 0.41 0.00 0.00 41.25 39.23 2nnz s ASN 105 CO -0.01 -0.25 1.10 0.68 -1.51 0.00 0.00 177.10 177.11 2nnz s VAL 106 N -2.06 4.08 -0.71 1.60 -7.23 -1.26 0.66 120.40 115.47 2nnz s VAL 106 Ca 0.55 0.00 0.03 0.00 -1.81 0.00 0.00 61.98 60.76 2nnz s VAL 106 Cb -0.10 -4.78 0.20 0.00 0.56 0.00 0.00 36.38 32.27 2nnz s VAL 106 CO 0.18 -1.61 0.87 0.00 -0.31 0.00 0.00 175.10 174.23 2nnz n ILE 107 N 6.13 0.82 0.00 -0.62 3.06 -0.68 -4.73 119.36 123.34 2nnz n ILE 107 Ca -0.01 -0.37 0.00 0.00 -2.50 0.00 0.00 62.75 59.87 2nnz n ILE 107 Cb 0.47 -0.50 0.00 0.00 0.54 0.00 0.00 39.64 40.15 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 0.15 0.30 3.65 4.50 0.00 -1.22 -3.84 105.19 108.73 2nnz n GLY 108 Ca 0.08 -1.49 -0.03 0.00 0.00 0.00 0.00 46.02 44.58 2nnz n GLY 108 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2nnz s ARG 109 N 0.00 0.79 -0.33 1.61 1.70 -1.23 -1.96 118.95 119.53 2nnz s ARG 109 Ca 0.00 -0.40 -0.18 0.00 -0.47 0.00 0.00 55.73 54.67 2nnz s ARG 109 Cb 0.00 0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.66 2nnz s ARG 109 CO 0.00 -0.36 0.52 0.42 -1.08 0.00 0.00 175.30 174.81 2nnz s ILE 110 N -2.90 5.02 0.00 4.99 1.09 -1.21 -1.79 121.20 126.40 2nnz s ILE 110 Ca 0.11 0.52 0.00 0.00 -1.10 0.00 0.00 60.65 60.18 2nnz s ILE 110 Cb 0.01 -3.93 0.00 0.00 -1.06 0.00 0.00 42.46 37.47 2nnz s ILE 110 CO -0.02 -0.14 0.16 1.33 -0.10 0.00 0.00 174.94 176.17 2nnz n VAL 111 N 5.37 0.00 -3.65 2.92 0.24 -1.22 -5.00 118.33 116.98 2nnz n VAL 111 Ca -0.04 0.37 -0.14 0.00 -2.04 0.00 0.00 64.34 62.49 2nnz n VAL 111 Cb 0.49 -0.78 -0.08 0.00 -1.47 0.00 0.00 33.84 32.00 2nnz n VAL 111 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2nnz s ASN 112 N -1.41 -0.64 0.00 -1.34 4.22 -1.26 -5.01 114.94 109.50 2nnz s ASN 112 Ca 0.00 1.18 0.00 0.00 -2.14 0.00 0.00 52.86 51.90 2nnz s ASN 112 Cb 0.00 1.19 0.00 0.00 1.28 0.00 0.00 41.25 43.72 2nnz s ASN 112 CO 0.00 -0.25 0.00 -1.20 -2.04 0.00 0.00 177.10 173.61 2nnz n SER 113 N 2.56 0.00 0.00 3.54 7.64 -1.26 -4.56 113.62 121.54 2nnz n SER 113 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 2nnz n SER 113 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 0.00 0.00 -1.61 1.43 1.56 -1.25 -4.79 117.12 112.46 2nnz n MET 114 Ca 0.00 0.00 -0.20 0.00 -0.27 0.00 0.00 57.70 57.23 2nnz n MET 114 Cb 0.00 0.00 -0.08 0.00 2.15 0.00 0.00 33.22 35.29 2nnz n MET 114 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2nnz n GLU 115 N -1.77 -1.45 -1.76 2.12 1.02 -1.26 -4.79 120.64 112.76 2nnz n GLU 115 Ca 0.00 1.15 0.03 0.00 -0.02 0.00 0.00 57.16 58.32 2nnz n GLU 115 Cb 0.00 -5.53 0.02 0.00 -0.02 0.00 0.00 31.44 25.91 2nnz n GLU 115 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2nnz n GLY 116 N -0.39 1.15 0.29 0.62 0.00 -1.26 -4.90 105.19 100.69 2nnz n GLY 116 Ca -0.20 -0.87 -0.02 0.00 0.00 0.00 0.00 46.02 44.92 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 1.29 0.77 -0.60 0.99 5.85 -1.91 -2.32 115.31 119.38 2nnz h LEU 117 Ca -0.22 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.57 2nnz h LEU 117 Cb 1.77 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 2nnz h LEU 117 CO 0.11 0.53 0.92 0.07 -0.34 0.00 0.00 178.44 179.72 2nnz h LYS 118 N 0.91 0.00 -1.03 1.25 5.09 -1.90 0.28 116.57 121.17 2nnz h LYS 118 Ca 0.31 0.00 -0.26 0.00 0.09 0.00 0.00 60.65 60.79 2nnz h LYS 118 Cb 0.05 0.00 -0.15 0.00 0.10 0.00 0.00 32.23 32.22 2nnz h LYS 118 CO -0.12 0.00 0.33 0.41 -2.09 0.00 0.00 179.45 177.98 2nnz n GLY 119 N -1.50 3.30 3.84 0.07 0.00 -0.87 -4.58 105.19 105.45 2nnz n GLY 119 Ca 0.05 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.69 4.56 0.36 1.61 -7.23 0.99 -5.04 120.40 113.96 2nnz s VAL 120 Ca 0.29 1.15 -0.26 0.00 -1.81 0.00 0.00 61.98 61.34 2nnz s VAL 120 Cb 0.24 -3.70 -0.09 0.00 0.56 0.00 0.00 36.38 33.39 2nnz s VAL 120 CO 0.05 -0.59 1.10 0.00 -0.31 0.00 0.00 175.10 175.35 2nnz s ALA 121 N -2.49 3.21 0.15 1.32 0.00 -1.26 -4.94 121.76 117.75 2nnz s ALA 121 Ca 0.58 0.84 -0.34 0.00 0.00 0.00 0.00 51.96 53.04 2nnz s ALA 121 Cb -0.10 -3.32 -0.15 0.00 0.00 0.00 0.00 23.12 19.55 2nnz s ALA 121 CO 0.28 -0.28 1.36 -0.40 0.00 0.00 0.00 175.76 176.72 2nnz n ASP 122 N 0.39 2.10 -2.61 0.00 5.75 -1.26 -4.24 116.55 116.67 2nnz n ASP 122 Ca 0.03 1.12 -0.06 0.00 -0.01 0.00 0.00 54.79 55.87 2nnz n ASP 122 Cb 0.47 -1.29 -0.05 0.00 -1.03 0.00 0.00 41.12 39.22 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 2.53 -5.13 3.21 6.12 0.00 -1.26 -4.98 105.19 105.68 2nnz n GLY 123 Ca 0.16 1.74 -0.11 0.00 0.00 0.00 0.00 46.02 47.81 2nnz n GLY 123 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nnz s GLU 124 N -0.64 0.73 1.10 1.61 0.41 -1.22 -5.01 118.70 115.68 2nnz s GLU 124 Ca -0.28 -0.54 -0.12 0.00 -0.41 0.00 0.00 54.97 53.62 2nnz s GLU 124 Cb 0.02 0.31 0.25 0.00 -1.78 0.00 0.00 34.13 32.93 2nnz s GLU 124 CO 0.75 -0.22 1.05 0.45 -0.49 0.00 0.00 175.26 176.80 2nnz s SER 125 N -1.99 1.54 -0.26 -0.19 0.15 -1.26 -0.44 113.70 111.25 2nnz s SER 125 Ca -0.06 1.51 -0.14 0.00 0.70 0.00 0.00 55.95 57.96 2nnz s SER 125 Cb -0.02 -2.24 0.08 0.00 -1.71 0.00 0.00 66.02 62.14 2nnz s SER 125 CO -0.03 -3.85 0.62 -0.69 1.20 0.00 0.00 173.24 170.49 2nnz s VAL 126 N -2.59 -0.10 -0.27 4.45 1.01 0.27 -4.53 120.40 118.64 2nnz s VAL 126 Ca 0.67 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.69 2nnz s VAL 126 Cb -0.23 -0.91 0.07 0.00 0.00 0.00 0.00 36.38 35.31 2nnz s VAL 126 CO 0.62 0.01 -0.01 0.68 0.00 0.00 0.00 175.10 176.40 2nnz s VAL 127 N 1.72 1.60 -0.04 2.92 -7.23 -1.25 0.15 120.40 118.27 2nnz s VAL 127 Ca -0.09 -1.48 -0.28 0.00 -1.81 0.00 0.00 61.98 58.31 2nnz s VAL 127 Cb -0.06 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 2nnz s VAL 127 CO -0.18 -0.28 0.91 -0.69 -0.31 0.00 0.00 175.10 174.55 2nnz s VAL 128 N 1.32 4.90 -0.17 1.32 1.01 -0.84 -3.89 120.40 124.05 2nnz s VAL 128 Ca -0.00 1.88 -0.08 0.00 0.00 0.00 0.00 61.98 63.78 2nnz s VAL 128 Cb -0.19 -4.24 0.07 0.00 0.00 0.00 0.00 36.38 32.02 2nnz s VAL 128 CO -0.09 0.16 0.40 -1.83 0.00 0.00 0.00 175.10 173.74 2nnz s GLU 129 N 1.15 0.36 -0.89 2.72 -1.05 -0.87 -1.10 118.70 119.02 2nnz s GLU 129 Ca 0.47 0.85 -0.24 0.00 -0.15 0.00 0.00 54.97 55.90 2nnz s GLU 129 Cb -0.20 0.07 -0.00 0.00 -0.44 0.00 0.00 34.13 33.56 2nnz s GLU 129 CO 0.23 -0.19 1.70 0.50 0.95 0.00 0.00 175.26 178.45 2nnz s ARG 130 N 1.76 2.99 0.00 -4.83 3.00 -1.26 0.17 118.95 120.78 2nnz s ARG 130 Ca -0.07 -0.47 0.00 0.00 -1.00 0.00 0.00 55.73 54.19 2nnz s ARG 130 Cb -0.10 -5.00 0.00 0.00 0.00 0.00 0.00 34.95 29.85 2nnz s ARG 130 CO -0.13 -2.77 0.00 0.00 0.00 0.00 0.00 175.30 172.40