#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 1.05 0.88 -5.12 0.00 -1.26 -5.01 105.19 95.73 2nnz n GLY 2 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 45.84 2nnz n GLY 2 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nnz n GLU 3 N -0.24 2.02 0.00 1.61 1.02 -1.26 -5.01 120.64 118.78 2nnz n GLU 3 Ca 0.00 -3.03 0.00 0.00 -0.02 0.00 0.00 57.16 54.11 2nnz n GLU 3 Cb 0.14 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 2nnz n GLU 3 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2nnz n ARG 4 N -1.01 0.00 0.00 3.49 3.00 -1.26 -5.11 116.66 115.77 2nnz n ARG 4 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.10 2nnz n ARG 4 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.37 2nnz n ARG 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2nnz n GLY 5 N 0.00 -0.27 2.47 -0.13 0.00 -1.26 -4.99 105.19 101.01 2nnz n GLY 5 Ca 0.00 0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2nnz n GLY 5 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2nnz n VAL 6 N -2.18 4.06 -2.69 1.61 3.14 -1.26 -4.19 118.33 116.81 2nnz n VAL 6 Ca 0.00 -3.45 -0.07 0.00 -2.96 0.00 0.00 64.34 57.86 2nnz n VAL 6 Cb 0.00 -1.80 0.11 0.00 -1.06 0.00 0.00 33.84 31.09 2nnz n VAL 6 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2nnz n GLU 7 N 1.28 1.22 -3.72 1.45 1.02 -1.26 -5.00 120.64 115.62 2nnz n GLU 7 Ca 0.54 -1.92 -0.36 0.00 -0.02 0.00 0.00 57.16 55.40 2nnz n GLU 7 Cb 0.44 -0.13 -0.10 0.00 -0.02 0.00 0.00 31.44 31.64 2nnz n GLU 7 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 2nnz s MET 8 N -0.18 2.57 -0.02 3.49 1.75 -1.24 -5.00 119.30 120.67 2nnz s MET 8 Ca 0.21 -2.56 -0.02 0.00 -1.25 0.00 0.00 55.69 52.08 2nnz s MET 8 Cb 0.41 -3.73 -0.04 0.00 2.84 0.00 0.00 34.83 34.32 2nnz s MET 8 CO -0.08 -1.17 0.12 -0.98 -0.65 0.00 0.00 175.02 172.26 2nnz s ARG 9 N -0.11 3.24 0.30 4.11 1.04 -1.26 -1.18 118.95 125.09 2nnz s ARG 9 Ca 0.17 -0.39 0.08 0.00 -1.04 0.00 0.00 55.73 54.56 2nnz s ARG 9 Cb -0.20 -2.98 -0.06 0.00 -2.04 0.00 0.00 34.95 29.67 2nnz s ARG 9 CO -0.03 0.67 -0.09 -0.48 -0.04 0.00 0.00 175.30 175.33 2nnz s LEU 10 N -1.73 2.58 0.03 -1.89 2.34 -0.25 -4.34 118.68 115.42 2nnz s LEU 10 Ca 0.24 -1.17 0.05 0.00 0.06 0.00 0.00 54.13 53.31 2nnz s LEU 10 Cb -0.12 -0.80 -0.03 0.00 -0.56 0.00 0.00 46.19 44.67 2nnz s LEU 10 CO 0.15 -0.25 -0.12 -0.60 -1.06 0.00 0.00 176.35 174.46 2nnz s ARG 11 N -3.66 2.31 -0.27 1.48 3.00 0.21 -2.96 118.95 119.05 2nnz s ARG 11 Ca 0.30 -0.86 -0.02 0.00 -1.00 0.00 0.00 55.73 54.16 2nnz s ARG 11 Cb 0.02 -2.35 0.12 0.00 0.00 0.00 0.00 34.95 32.75 2nnz s ARG 11 CO 0.13 0.57 0.25 0.42 0.00 0.00 0.00 175.30 176.67 2nnz s ILE 12 N -0.97 -0.32 0.18 4.11 1.01 -1.20 -1.65 121.20 122.36 2nnz s ILE 12 Ca 0.16 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.38 2nnz s ILE 12 Cb -0.11 -0.92 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 2nnz s ILE 12 CO 0.07 -0.46 0.31 0.00 0.00 0.00 0.00 174.94 174.85 2nnz s ARG 13 N 2.30 3.44 -0.01 2.79 1.70 -1.25 -3.10 118.95 124.83 2nnz s ARG 13 Ca 0.09 -0.63 0.02 0.00 -0.47 0.00 0.00 55.73 54.74 2nnz s ARG 13 Cb -0.15 -2.94 -0.00 0.00 -0.57 0.00 0.00 34.95 31.29 2nnz s ARG 13 CO -0.29 0.49 -0.05 -0.06 -1.08 0.00 0.00 175.30 174.31 2nnz s PHE 14 N -1.81 0.49 0.56 5.89 0.40 0.49 -3.75 117.98 120.25 2nnz s PHE 14 Ca 0.35 -0.09 0.41 0.00 -0.60 0.00 0.00 56.93 56.99 2nnz s PHE 14 Cb -0.11 -0.34 1.55 0.00 0.51 0.00 0.00 43.02 44.64 2nnz s PHE 14 CO 0.29 -0.03 1.64 0.93 0.70 0.00 0.00 175.22 178.75 2nnz h GLU 15 N 6.15 0.00 0.00 0.44 3.07 -1.94 0.27 114.58 122.56 2nnz h GLU 15 Ca -0.29 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.56 2nnz h GLU 15 Cb 1.19 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.07 2nnz h GLU 15 CO 0.50 0.00 -0.24 -1.13 -1.40 0.00 0.00 179.01 176.74 2nnz n SER 16 N -3.91 1.62 -3.62 1.42 3.41 -1.26 -5.07 113.62 106.21 2nnz n SER 16 Ca 0.33 -2.87 -0.04 0.00 -0.26 0.00 0.00 58.87 56.03 2nnz n SER 16 Cb 1.59 -0.38 -0.04 0.00 -0.26 0.00 0.00 64.21 65.13 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 -2.06 -2.09 0.01 7.33 0.00 0.95 -4.92 121.76 120.98 2nnz s ALA 17 Ca 0.25 1.78 -0.01 0.00 0.00 0.00 0.00 51.96 53.98 2nnz s ALA 17 Cb 0.23 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 2nnz s ALA 17 CO -0.00 -0.36 0.01 -1.83 0.00 0.00 0.00 175.76 173.58 2nnz s GLU 18 N -1.45 0.24 -0.12 0.00 -1.05 -1.26 0.19 118.70 115.24 2nnz s GLU 18 Ca 0.08 -0.36 -0.30 0.00 -0.15 0.00 0.00 54.97 54.24 2nnz s GLU 18 Cb -0.01 0.09 0.10 0.00 -0.44 0.00 0.00 34.13 33.87 2nnz s GLU 18 CO -0.05 -0.04 0.83 0.00 0.95 0.00 0.00 175.26 176.95 2nnz s GLU 20 N -1.01 2.19 -0.12 0.00 2.02 -1.26 -3.21 118.70 117.31 2nnz s GLU 20 Ca -0.06 -1.26 -0.14 0.00 0.02 0.00 0.00 54.97 53.53 2nnz s GLU 20 Cb -0.01 -2.20 0.04 0.00 0.10 0.00 0.00 34.13 32.05 2nnz s GLU 20 CO 0.05 0.42 0.38 0.14 0.02 0.00 0.00 175.26 176.28 2nnz s VAL 21 N -1.85 0.01 0.53 2.63 -7.23 -1.16 -4.00 120.40 109.34 2nnz s VAL 21 Ca 0.27 -0.09 0.09 0.00 -1.81 0.00 0.00 61.98 60.44 2nnz s VAL 21 Cb -0.08 -0.57 0.09 0.00 0.56 0.00 0.00 36.38 36.37 2nnz s VAL 21 CO 0.17 -0.05 0.71 -0.62 -0.31 0.00 0.00 175.10 175.00 2nnz n GLU 22 N 2.53 0.65 -3.73 4.82 1.02 -1.11 -1.09 120.64 123.72 2nnz n GLU 22 Ca -0.15 -2.86 -0.14 0.00 -0.02 0.00 0.00 57.16 53.99 2nnz n GLU 22 Cb 0.57 -0.19 -0.08 0.00 -0.02 0.00 0.00 31.44 31.72 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 0.65 0.07 -4.62 2.96 -0.33 -3.67 118.68 113.75 2nnz s LEU 23 Ca 0.54 0.21 0.07 0.00 -0.22 0.00 0.00 54.13 54.73 2nnz s LEU 23 Cb -0.04 1.43 -0.03 0.00 0.50 0.00 0.00 46.19 48.05 2nnz s LEU 23 CO 0.34 -0.45 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.42 2nnz s TYR 24 N -1.22 1.64 -1.01 5.38 2.02 -1.26 -3.63 117.35 119.28 2nnz s TYR 24 Ca -0.12 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.17 2nnz s TYR 24 Cb -0.04 -0.93 0.00 0.00 -0.40 0.00 0.00 41.96 40.58 2nnz s TYR 24 CO 0.05 0.13 0.90 0.39 -1.57 0.00 0.00 175.55 175.45 2nnz n GLU 25 N 1.43 0.00 -0.27 -0.62 1.02 -1.26 -3.15 120.64 117.80 2nnz n GLU 25 Ca -0.19 0.40 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 31.10 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 0.31 114.58 120.54 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 -0.13 2.35 0.07 0.00 0.00 179.01 181.30 2nnz h TRP 27 N 0.00 0.00 0.00 2.06 7.01 -1.82 -3.46 115.95 119.73 2nnz h TRP 27 Ca 0.53 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.53 2nnz h TRP 27 Cb 2.44 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 29.50 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 -2.85 0.00 -0.37 2.65 0.00 0.10 -4.65 120.51 115.39 2nnz n ALA 28 Ca -0.06 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.68 2nnz n ALA 28 Cb 0.22 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.26 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 0.22 0.27 0.00 0.10 -1.93 -0.82 132.00 129.84 2nnz h PRO 29 Ca 0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 66.00 66.08 2nnz h PRO 29 Cb 0.00 -0.05 -0.01 0.00 0.10 0.00 0.00 31.00 31.04 2nnz h PRO 29 CO 0.00 0.15 -0.18 0.93 0.10 0.00 0.00 178.00 178.99 2nnz h GLU 30 N 0.23 -0.43 -0.39 1.05 3.07 -1.96 -2.78 114.58 113.37 2nnz h GLU 30 Ca 0.67 0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.54 2nnz h GLU 30 Cb 2.01 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 30.00 2nnz h GLU 30 CO -0.29 -0.29 0.14 1.79 -1.40 0.00 0.00 179.01 178.96 2nnz h THR 31 N -0.45 1.20 -1.06 1.13 1.35 -1.55 -2.39 112.91 111.14 2nnz h THR 31 Ca -0.02 -0.63 0.31 0.00 -0.55 0.00 0.00 66.41 65.51 2nnz h THR 31 Cb 0.38 0.89 -0.04 0.00 -1.73 0.00 0.00 68.15 67.65 2nnz h THR 31 CO 0.01 0.23 0.86 0.58 -0.25 0.00 0.00 175.52 176.95 2nnz h VAL 32 N 0.48 0.31 -0.81 6.82 2.07 -1.25 0.30 116.25 124.17 2nnz h VAL 32 Ca 0.13 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 2nnz h VAL 32 Cb 0.21 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 2nnz h VAL 32 CO -0.01 0.00 0.46 -0.09 0.02 0.00 0.00 177.57 177.95 2nnz h ARG 33 N 0.00 1.11 -0.21 1.57 2.43 -1.15 -2.34 114.38 115.79 2nnz h ARG 33 Ca 0.50 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.53 2nnz h ARG 33 Cb 2.22 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 31.54 2nnz h ARG 33 CO -0.01 0.80 0.04 0.00 -1.51 0.00 0.00 179.97 179.29 2nnz h ALA 34 N 1.38 0.28 -0.15 2.80 0.00 -0.54 -0.06 119.26 122.98 2nnz h ALA 34 Ca 0.29 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2nnz h ALA 34 Cb -0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2nnz h ALA 34 CO -0.05 -0.05 -0.12 0.82 0.00 0.00 0.00 179.25 179.85 2nnz h ILE 35 N 0.15 0.66 0.00 0.00 1.08 -1.52 0.38 117.51 118.26 2nnz h ILE 35 Ca 0.06 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.51 2nnz h ILE 35 Cb 0.31 0.66 -0.00 0.00 -3.07 0.00 0.00 36.82 34.71 2nnz h ILE 35 CO 0.00 0.00 -0.12 0.00 -0.69 0.00 0.00 178.15 177.35 2nnz h ALA 36 N 0.97 1.59 0.00 1.87 0.00 -1.34 -0.79 119.26 121.55 2nnz h ALA 36 Ca 0.09 -0.11 -0.07 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 18.03 2nnz h ALA 36 CO -0.23 0.15 -0.32 0.22 0.00 0.00 0.00 179.25 179.07 2nnz h ASP 37 N 0.00 0.00 -1.59 0.00 3.58 1.00 -3.24 116.42 116.17 2nnz h ASP 37 Ca -0.00 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.79 2nnz h ASP 37 Cb 0.24 0.00 -0.23 0.00 1.72 0.00 0.00 39.33 41.06 2nnz h ASP 37 CO 0.02 0.32 0.79 0.00 -2.88 0.00 0.00 179.24 177.48 2nnz n ALA 38 N -2.27 6.48 -1.00 -0.78 0.00 -0.29 -4.99 120.51 117.66 2nnz n ALA 38 Ca -0.00 -3.65 0.00 0.00 0.00 0.00 0.00 53.44 49.79 2nnz n ALA 38 Cb 0.48 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 0.01 0.00 -1.99 0.00 4.77 -1.22 -4.56 117.00 114.01 2nnz n LEU 39 Ca 0.52 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 56.25 2nnz n LEU 39 Cb 0.37 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 2nnz n LEU 39 CO 0.44 -0.47 0.86 -2.65 -1.33 0.00 0.00 177.39 174.24 2nnz n PRO 40 N -0.04 0.00 -3.75 3.23 -0.02 -0.22 -4.49 135.00 129.71 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 -0.69 -0.08 0.00 -0.02 0.00 0.00 33.50 32.71 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 3.15 0.06 0.07 4.25 1.01 -0.48 -4.96 121.20 124.30 2nnz s ILE 41 Ca 0.57 -0.46 -0.24 0.00 0.00 0.00 0.00 60.65 60.52 2nnz s ILE 41 Cb -0.66 -0.64 -0.06 0.00 0.01 0.00 0.00 42.46 41.11 2nnz s ILE 41 CO 0.28 -0.25 0.72 -0.54 0.00 0.00 0.00 174.94 175.15 2nnz s LYS 42 N -1.37 4.45 -0.01 2.79 1.02 -1.26 -1.98 119.74 123.37 2nnz s LYS 42 Ca -0.13 1.00 -0.10 0.00 0.02 0.00 0.00 55.97 56.76 2nnz s LYS 42 Cb -0.05 -3.32 0.01 0.00 -0.52 0.00 0.00 37.83 33.95 2nnz s LYS 42 CO 0.04 0.41 0.20 -1.54 -0.92 0.00 0.00 175.35 173.54 2nnz s SER 43 N -0.47 -0.06 -0.23 2.83 1.04 0.31 -4.88 113.70 112.24 2nnz s SER 43 Ca 0.35 -0.06 -0.09 0.00 0.48 0.00 0.00 55.95 56.63 2nnz s SER 43 Cb -0.21 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 2nnz s SER 43 CO 0.22 -0.37 0.12 -0.89 0.98 0.00 0.00 173.24 173.31 2nnz s THR 44 N -1.24 5.07 0.09 2.02 2.01 -1.26 -0.01 115.64 122.31 2nnz s THR 44 Ca -0.13 0.08 -0.26 0.00 0.31 0.00 0.00 61.69 61.69 2nnz s THR 44 Cb -0.06 -3.35 -0.06 0.00 0.01 0.00 0.00 72.50 69.04 2nnz s THR 44 CO 0.02 0.37 0.80 0.00 -0.69 0.00 0.00 174.62 175.12 2nnz s ALA 45 N 0.96 3.37 -0.19 7.40 0.00 -0.60 -4.34 121.76 128.35 2nnz s ALA 45 Ca 0.06 0.35 -0.05 0.00 0.00 0.00 0.00 51.96 52.32 2nnz s ALA 45 Cb -0.13 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 2nnz s ALA 45 CO 0.03 0.11 -0.00 -0.80 0.00 0.00 0.00 175.76 175.10 2nnz s ASN 46 N -0.34 4.88 0.05 0.00 -0.87 -1.21 -3.55 114.94 113.90 2nnz s ASN 46 Ca 0.39 -0.17 -0.24 0.00 -1.57 0.00 0.00 52.86 51.27 2nnz s ASN 46 Cb -0.22 -1.83 -0.06 0.00 -0.02 0.00 0.00 41.25 39.13 2nnz s ASN 46 CO 0.25 0.09 0.74 -0.13 -2.57 0.00 0.00 177.10 175.47 2nnz s ARG 47 N 0.86 4.47 -0.03 -0.60 0.52 -1.26 -3.52 118.95 119.39 2nnz s ARG 47 Ca 0.01 1.02 -0.17 0.00 -0.52 0.00 0.00 55.73 56.07 2nnz s ARG 47 Cb -0.14 -3.35 0.03 0.00 0.52 0.00 0.00 34.95 32.01 2nnz s ARG 47 CO 0.02 0.34 0.36 -0.46 0.02 0.00 0.00 175.30 175.58 2nnz s TRP 48 N -0.22 -0.26 -0.55 -0.53 -0.11 -0.40 -4.99 118.94 111.87 2nnz s TRP 48 Ca 0.37 0.44 -0.22 0.00 1.22 0.00 0.00 56.10 57.91 2nnz s TRP 48 Cb -0.20 0.14 -0.14 0.00 -1.50 0.00 0.00 33.47 31.77 2nnz s TRP 48 CO 0.22 -0.40 1.64 0.41 -4.62 0.00 0.00 176.95 174.20 2nnz n GLY 49 N 1.39 -0.25 2.64 5.86 0.00 -1.26 0.13 105.19 113.70 2nnz n GLY 49 Ca -0.20 0.74 -0.07 0.00 0.00 0.00 0.00 46.02 46.48 2nnz n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2nnz n ASP 50 N 6.22 -2.11 -3.84 1.61 8.00 -1.26 -4.07 116.55 121.09 2nnz n ASP 50 Ca 0.41 0.26 -0.12 0.00 0.71 0.00 0.00 54.79 56.05 2nnz n ASP 50 Cb 0.01 -1.88 -0.12 0.00 -0.02 0.00 0.00 41.12 39.11 2nnz n ASP 50 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2nnz s GLU 51 N -5.19 0.25 -0.03 -1.24 -6.30 0.35 -4.16 118.70 102.38 2nnz s GLU 51 Ca 0.07 0.02 -0.01 0.00 -2.50 0.00 0.00 54.97 52.54 2nnz s GLU 51 Cb -0.04 0.11 0.03 0.00 0.00 0.00 0.00 34.13 34.23 2nnz s GLU 51 CO 0.08 -0.05 0.04 -1.50 0.02 0.00 0.00 175.26 173.86 2nnz s ILE 52 N -0.35 -0.08 -0.05 -3.70 1.10 -1.26 -1.27 121.20 115.58 2nnz s ILE 52 Ca -0.04 0.32 0.01 0.00 -0.51 0.00 0.00 60.65 60.43 2nnz s ILE 52 Cb -0.03 -0.12 0.02 0.00 0.15 0.00 0.00 42.46 42.48 2nnz s ILE 52 CO 0.00 0.14 -0.05 -0.72 -2.11 0.00 0.00 174.94 172.21 2nnz s TYR 53 N 1.64 0.83 0.03 3.50 -0.85 -1.23 -2.85 117.35 118.43 2nnz s TYR 53 Ca -0.02 -0.25 0.03 0.00 -0.52 0.00 0.00 57.07 56.31 2nnz s TYR 53 Cb -0.12 -0.74 -0.02 0.00 0.38 0.00 0.00 41.96 41.45 2nnz s TYR 53 CO -0.03 -0.23 -0.10 -0.59 -1.52 0.00 0.00 175.55 173.08 2nnz s PHE 54 N 1.08 0.86 0.08 -3.49 -0.12 -1.20 -3.33 117.98 111.86 2nnz s PHE 54 Ca -0.08 -0.36 -0.10 0.00 -0.05 0.00 0.00 56.93 56.33 2nnz s PHE 54 Cb -0.14 -0.51 -0.06 0.00 -0.63 0.00 0.00 43.02 41.68 2nnz s PHE 54 CO -0.01 -0.02 0.41 0.99 -0.05 0.00 0.00 175.22 176.54 2nnz s THR 55 N -0.93 5.09 -0.12 -4.49 2.01 -1.26 -3.61 115.64 112.32 2nnz s THR 55 Ca -0.03 0.46 0.01 0.00 0.31 0.00 0.00 61.69 62.44 2nnz s THR 55 Cb -0.08 -3.65 0.03 0.00 0.01 0.00 0.00 72.50 68.81 2nnz s THR 55 CO 0.01 0.28 0.87 0.35 -0.69 0.00 0.00 174.62 175.44 2nnz n THR 56 N 0.89 0.67 -0.16 -0.82 -2.24 -1.26 -4.36 114.28 107.00 2nnz n THR 56 Ca -0.08 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 2nnz n THR 56 Cb 0.52 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 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 -2.83 -0.78 1.13 -1.26 -4.97 117.38 108.43 2nnz n GLN 57 Ca 0.01 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.65 2nnz n GLN 57 Cb 0.19 -1.44 -0.04 0.00 0.11 0.00 0.00 30.24 29.07 2nnz n GLN 57 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2nnz s VAL 58 N -3.01 4.65 -0.68 5.09 0.11 -1.26 -5.00 120.40 120.31 2nnz s VAL 58 Ca 0.00 1.28 -0.14 0.00 -2.93 0.00 0.00 61.98 60.20 2nnz s VAL 58 Cb 0.00 -4.28 0.17 0.00 -1.53 0.00 0.00 36.38 30.75 2nnz s VAL 58 CO 0.00 -0.42 0.61 0.00 -3.33 0.00 0.00 175.10 171.97 2nnz s ALA 59 N 3.30 3.84 -0.27 1.54 0.00 -1.26 -4.88 121.76 124.03 2nnz s ALA 59 Ca 0.37 -2.97 0.02 0.00 0.00 0.00 0.00 51.96 49.38 2nnz s ALA 59 Cb -0.13 -3.32 0.07 0.00 0.00 0.00 0.00 23.12 19.75 2nnz s ALA 59 CO 0.16 -2.14 -0.03 0.54 0.00 0.00 0.00 175.76 174.28 2nnz s VAL 60 N 0.77 1.84 -0.02 0.00 0.11 -1.26 -5.11 120.40 116.73 2nnz s VAL 60 Ca 0.11 -1.64 0.02 0.00 -2.93 0.00 0.00 61.98 57.55 2nnz s VAL 60 Cb -0.19 -2.14 0.00 0.00 -1.53 0.00 0.00 36.38 32.51 2nnz s VAL 60 CO -0.04 -0.26 -0.09 -1.61 -3.33 0.00 0.00 175.10 169.78 2nnz s GLU 61 N 1.21 0.92 0.17 1.54 2.02 -1.26 -4.74 118.70 118.56 2nnz s GLU 61 Ca -0.01 -0.30 -0.23 0.00 0.02 0.00 0.00 54.97 54.45 2nnz s GLU 61 Cb -0.19 -0.87 0.06 0.00 0.10 0.00 0.00 34.13 33.24 2nnz s GLU 61 CO -0.08 0.12 0.63 0.21 0.02 0.00 0.00 175.26 176.17 2nnz s LYS 62 N 0.14 1.34 -0.68 1.61 2.20 -1.26 -5.11 119.74 117.98 2nnz s LYS 62 Ca -0.02 -0.55 -0.17 0.00 -0.36 0.00 0.00 55.97 54.87 2nnz s LYS 62 Cb -0.08 0.58 0.14 0.00 -1.51 0.00 0.00 37.83 36.97 2nnz s LYS 62 CO 0.00 -0.59 0.74 -2.00 -0.36 0.00 0.00 175.35 173.14 2nnz s GLU 63 N -3.75 3.24 -0.18 4.03 2.12 -1.26 -4.97 118.70 117.93 2nnz s GLU 63 Ca 0.03 -1.73 -0.30 0.00 0.36 0.00 0.00 54.97 53.33 2nnz s GLU 63 Cb -0.02 -4.40 0.14 0.00 0.26 0.00 0.00 34.13 30.11 2nnz s GLU 63 CO -0.09 -1.47 1.05 -2.00 -0.54 0.00 0.00 175.26 172.21 2nnz s GLU 64 N 1.87 0.51 0.35 4.30 2.12 -1.26 -5.04 118.70 121.54 2nnz s GLU 64 Ca 0.14 0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.60 2nnz s GLU 64 Cb -0.19 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.44 2nnz s GLU 64 CO -0.00 -0.16 0.00 -1.71 -0.54 0.00 0.00 175.26 172.85 2nnz n ASN 65 N 0.71 0.00 -2.10 -1.70 5.15 -1.26 -4.85 115.26 111.21 2nnz n ASN 65 Ca -0.09 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.77 2nnz n ASN 65 Cb 0.58 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.84 2nnz n ASN 65 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2nnz n SER 66 N 1.99 -2.93 -4.95 1.20 7.64 -1.26 -4.94 113.62 110.36 2nnz n SER 66 Ca 0.00 0.02 -0.24 0.00 1.01 0.00 0.00 58.87 59.66 2nnz n SER 66 Cb 0.00 -0.79 -0.03 0.00 -1.01 0.00 0.00 64.21 62.39 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 -0.95 3.45 0.00 1.43 0.00 0.31 -4.45 119.74 119.52 2nnz s LYS 67 Ca 0.12 -0.63 0.00 0.00 0.00 0.00 0.00 55.97 55.46 2nnz s LYS 67 Cb -0.01 -2.92 0.00 0.00 0.00 0.00 0.00 37.83 34.90 2nnz s LYS 67 CO 0.27 0.46 0.28 -0.40 0.00 0.00 0.00 175.35 175.96 2nnz n ASP 68 N -0.94 0.56 -4.15 0.03 5.68 -1.26 0.64 116.55 117.10 2nnz n ASP 68 Ca -0.08 -0.78 -0.24 0.00 -0.50 0.00 0.00 54.79 53.20 2nnz n ASP 68 Cb 0.55 0.40 -0.15 0.00 -1.14 0.00 0.00 41.12 40.78 2nnz n ASP 68 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2nnz s VAL 69 N -0.40 1.30 0.10 2.12 0.11 -1.26 -4.41 120.40 117.97 2nnz s VAL 69 Ca 0.00 -0.78 -0.24 0.00 -2.93 0.00 0.00 61.98 58.03 2nnz s VAL 69 Cb 0.00 -1.10 0.06 0.00 -1.53 0.00 0.00 36.38 33.82 2nnz s VAL 69 CO 0.00 0.30 0.58 0.68 -3.33 0.00 0.00 175.10 173.33 2nnz s VAL 70 N -0.48 0.01 0.16 2.04 -7.23 -1.26 -5.10 120.40 108.54 2nnz s VAL 70 Ca 0.06 -0.10 -0.04 0.00 -1.81 0.00 0.00 61.98 60.09 2nnz s VAL 70 Cb -0.07 -1.01 -0.05 0.00 0.56 0.00 0.00 36.38 35.81 2nnz s VAL 70 CO -0.00 -0.05 0.38 -1.61 -0.31 0.00 0.00 175.10 173.51 2nnz s GLU 71 N -3.11 3.60 -0.10 4.82 2.02 -1.26 -4.92 118.70 119.76 2nnz s GLU 71 Ca -0.02 -0.12 -0.40 0.00 0.02 0.00 0.00 54.97 54.45 2nnz s GLU 71 Cb -0.00 -2.84 -0.18 0.00 0.10 0.00 0.00 34.13 31.21 2nnz s GLU 71 CO -0.07 0.45 1.39 -0.11 0.02 0.00 0.00 175.26 176.94 2nnz n LEU 72 N -0.05 1.31 0.00 1.80 7.94 -1.26 -2.31 117.00 124.43 2nnz n LEU 72 Ca -0.03 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 2nnz n LEU 72 Cb 0.52 -1.07 0.00 0.00 0.53 0.00 0.00 43.42 43.41 2nnz n LEU 72 CO 0.49 -1.11 0.00 0.61 -1.11 0.00 0.00 177.39 176.26 2nnz n GLY 73 N 2.82 1.79 3.86 -3.96 0.00 -1.26 -5.09 105.19 103.35 2nnz n GLY 73 Ca 0.22 0.00 -0.31 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 -0.66 6.48 0.13 1.61 1.47 -0.98 -3.16 116.67 121.56 2nnz s ASP 74 Ca 0.00 1.35 0.08 0.00 1.18 0.00 0.00 52.55 55.16 2nnz s ASP 74 Cb 0.00 -2.42 -0.04 0.00 -0.34 0.00 0.00 42.92 40.12 2nnz s ASP 74 CO 0.00 -0.59 -0.10 -0.69 0.68 0.00 0.00 175.17 174.47 2nnz s VAL 75 N -2.67 3.30 0.02 2.11 1.01 0.98 -4.37 120.40 120.77 2nnz s VAL 75 Ca 0.55 -1.41 -0.17 0.00 0.00 0.00 0.00 61.98 60.94 2nnz s VAL 75 Cb -0.10 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.73 2nnz s VAL 75 CO 0.37 0.03 0.38 0.00 0.00 0.00 0.00 175.10 175.88 2nnz s ALA 76 N -1.39 -0.93 -0.17 5.51 0.00 -1.25 -2.22 121.76 121.31 2nnz s ALA 76 Ca 0.23 0.31 -0.07 0.00 0.00 0.00 0.00 51.96 52.43 2nnz s ALA 76 Cb -0.10 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 2nnz s ALA 76 CO 0.14 -0.39 0.06 -0.47 0.00 0.00 0.00 175.76 175.09 2nnz s TYR 77 N -2.14 3.26 -0.43 0.00 5.04 0.12 -2.94 117.35 120.25 2nnz s TYR 77 Ca -0.08 0.10 -0.29 0.00 -2.44 0.00 0.00 57.07 54.37 2nnz s TYR 77 Cb -0.02 -2.03 0.01 0.00 0.35 0.00 0.00 41.96 40.27 2nnz s TYR 77 CO -0.00 0.22 1.46 -0.46 -1.34 0.00 0.00 175.55 175.43 2nnz s TRP 78 N 0.14 2.31 0.00 4.97 -0.11 0.23 -1.44 118.94 125.03 2nnz s TRP 78 Ca 0.05 0.64 -0.02 0.00 1.22 0.00 0.00 56.10 57.98 2nnz s TRP 78 Cb -0.12 -4.30 -0.01 0.00 -1.50 0.00 0.00 33.47 27.53 2nnz s TRP 78 CO 0.01 -2.08 0.77 0.82 -4.62 0.00 0.00 176.95 171.84 2nnz h ILE 79 N 6.50 0.00 -0.08 5.86 2.04 -1.82 -1.95 117.51 128.06 2nnz h ILE 79 Ca -0.28 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 2nnz h ILE 79 Cb 1.11 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2nnz h ILE 79 CO 1.10 0.00 0.06 -2.65 0.00 0.00 0.00 178.15 176.66 2nnz n PRO 80 N -2.29 0.10 0.00 2.37 -0.02 -1.26 -0.08 135.00 133.82 2nnz n PRO 80 Ca -0.01 -1.58 0.00 0.00 -2.02 0.00 0.00 63.50 59.89 2nnz n PRO 80 Cb 0.03 -3.78 0.00 0.00 -0.02 0.00 0.00 33.50 29.73 2nnz n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nnz n GLY 81 N 6.07 0.43 4.01 -1.23 0.00 -1.26 -4.88 105.19 108.34 2nnz n GLY 81 Ca 0.39 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.30 -5.28 1.61 4.01 0.88 -4.96 118.16 110.13 2nnz n LYS 82 Ca 0.00 0.49 -0.31 0.00 -0.51 0.00 0.00 58.31 57.97 2nnz n LYS 82 Cb 0.00 -5.30 -0.16 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 -3.26 2.16 0.24 7.82 0.00 -0.78 -4.64 121.76 123.30 2nnz s ALA 83 Ca 0.69 -1.06 -0.16 0.00 0.00 0.00 0.00 51.96 51.43 2nnz s ALA 83 Cb -0.36 -0.64 -0.08 0.00 0.00 0.00 0.00 23.12 22.04 2nnz s ALA 83 CO 0.85 0.44 0.66 0.42 0.00 0.00 0.00 175.76 178.13 2nnz s ILE 84 N -0.27 4.72 -0.05 0.00 1.01 -1.24 0.75 121.20 126.13 2nnz s ILE 84 Ca -0.00 0.96 -0.03 0.00 0.00 0.00 0.00 60.65 61.57 2nnz s ILE 84 Cb -0.13 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.64 2nnz s ILE 84 CO 0.03 0.06 0.12 0.00 0.00 0.00 0.00 174.94 175.14 2nnz s LEU 86 N 0.51 3.50 -0.13 0.00 1.43 -1.13 -3.81 118.68 119.05 2nnz s LEU 86 Ca -0.04 0.96 -0.03 0.00 -1.03 0.00 0.00 54.13 54.00 2nnz s LEU 86 Cb -0.05 -3.91 0.04 0.00 0.03 0.00 0.00 46.19 42.30 2nnz s LEU 86 CO -0.02 -0.70 0.03 -0.36 0.23 0.00 0.00 176.35 175.53 2nnz s PHE 87 N -2.85 0.66 -0.06 0.29 0.08 -1.26 -4.30 117.98 110.55 2nnz s PHE 87 Ca 0.50 -0.40 0.14 0.00 0.12 0.00 0.00 56.93 57.28 2nnz s PHE 87 Cb -0.10 -0.84 0.26 0.00 -0.57 0.00 0.00 43.02 41.77 2nnz s PHE 87 CO 0.46 -0.45 1.13 1.19 -0.10 0.00 0.00 175.22 177.45 2nnz n PHE 88 N 5.15 -0.08 -1.20 0.36 3.01 -1.26 -4.16 117.46 119.28 2nnz n PHE 88 Ca -0.07 -0.77 0.00 0.00 1.01 0.00 0.00 57.45 57.62 2nnz n PHE 88 Cb 0.49 0.28 0.00 0.00 -0.01 0.00 0.00 39.48 40.24 2nnz n PHE 88 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2nnz n GLY 89 N -0.01 -0.46 1.11 1.37 0.00 -1.26 -4.98 105.19 100.96 2nnz n GLY 89 Ca -0.10 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.20 -2.66 1.61 -0.00 -1.26 -4.91 118.16 109.73 2nnz n LYS 90 Ca 0.00 -0.34 -0.05 0.00 -0.00 0.00 0.00 58.31 57.92 2nnz n LYS 90 Cb 0.00 -0.58 0.02 0.00 -0.00 0.00 0.00 35.03 34.47 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 -3.43 0.00 -0.15 0.58 -2.24 -1.26 -4.50 114.28 103.28 2nnz n THR 91 Ca 0.03 -0.61 0.27 0.00 -2.27 0.00 0.00 64.05 61.46 2nnz n THR 91 Cb 0.14 0.59 0.50 0.00 -2.10 0.00 0.00 70.33 69.46 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 -1.89 -0.78 0.11 -1.86 -2.67 132.00 124.91 2nnz h PRO 92 Ca -0.20 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.38 2nnz h PRO 92 Cb 0.73 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 31.48 2nnz h PRO 92 CO 0.25 0.00 -1.02 -0.89 -0.21 0.00 0.00 178.00 176.13 2nnz n ILE 93 N -3.32 -0.73 0.00 4.15 -0.00 -1.26 -5.02 119.36 113.18 2nnz n ILE 93 Ca 0.20 -3.63 0.00 0.00 -0.00 0.00 0.00 62.75 59.32 2nnz n ILE 93 Cb 1.35 -1.56 0.00 0.00 -0.00 0.00 0.00 39.64 39.43 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 1.73 0.00 0.00 4.38 7.64 -1.01 -3.77 113.62 122.59 2nnz n SER 94 Ca 0.22 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.82 2nnz n SER 94 Cb 0.53 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 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 -1.20 0.00 -0.00 6.43 9.92 -1.26 -1.57 116.55 128.87 2nnz n ASP 95 Ca 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2nnz n ASP 95 Cb 0.00 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2nnz n ASP 95 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2nnz n ASP 96 N 3.70 4.81 -0.33 -2.24 5.68 -1.26 -5.09 116.55 121.82 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 0.48 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 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 -2.05 2.61 -4.03 0.11 5.02 -0.61 -5.13 118.16 114.08 2nnz n LYS 97 Ca -0.01 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.95 2nnz n LYS 97 Cb 0.52 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.38 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 0.11 2.37 -0.46 -0.18 1.01 -1.26 -4.25 121.20 118.53 2nnz s ILE 98 Ca 0.00 -1.55 -0.07 0.00 0.00 0.00 0.00 60.65 59.03 2nnz s ILE 98 Cb 0.00 -2.38 0.12 0.00 0.01 0.00 0.00 42.46 40.22 2nnz s ILE 98 CO 0.00 -0.03 0.31 -0.60 0.00 0.00 0.00 174.94 174.62 2nnz s ARG 99 N 1.14 2.33 0.28 2.79 6.06 -1.25 -4.67 118.95 125.64 2nnz s ARG 99 Ca -0.08 -1.85 0.08 0.00 -2.50 0.00 0.00 55.73 51.39 2nnz s ARG 99 Cb -0.20 -3.80 0.41 0.00 0.06 0.00 0.00 34.95 31.42 2nnz s ARG 99 CO -0.04 -1.15 1.65 -1.00 -2.50 0.00 0.00 175.30 172.26 2nnz h PRO 100 N 8.21 0.12 0.00 5.12 0.13 -1.93 -3.36 132.00 140.28 2nnz h PRO 100 Ca -0.16 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2nnz h PRO 100 Cb 1.06 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2nnz h PRO 100 CO 0.79 0.62 0.00 0.00 -0.23 0.00 0.00 178.00 179.18 2nnz n ALA 101 N -2.45 0.00 0.44 -0.56 0.00 -1.26 -4.83 120.51 111.85 2nnz n ALA 101 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.47 2nnz n ALA 101 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.99 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 0.05 1.10 -2.71 0.00 7.64 -1.26 -4.72 113.62 113.73 2nnz n SER 102 Ca 0.00 -1.05 -0.06 0.00 1.01 0.00 0.00 58.87 58.76 2nnz n SER 102 Cb 0.00 0.54 0.06 0.00 -1.01 0.00 0.00 64.21 63.80 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 -2.48 -2.35 -0.43 0.00 -1.26 -4.67 120.51 108.95 2nnz n ALA 103 Ca 0.04 -0.86 -0.31 0.00 0.00 0.00 0.00 53.44 52.30 2nnz n ALA 103 Cb 0.20 -2.27 -0.15 0.00 0.00 0.00 0.00 19.45 17.23 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 0.41 2.25 0.37 0.00 -7.23 0.21 -3.53 120.40 112.88 2nnz s VAL 104 Ca 0.29 -1.14 -0.15 0.00 -1.81 0.00 0.00 61.98 59.17 2nnz s VAL 104 Cb 0.22 -1.83 -0.09 0.00 0.56 0.00 0.00 36.38 35.24 2nnz s VAL 104 CO -0.17 0.51 0.80 0.20 -0.31 0.00 0.00 175.10 176.14 2nnz s ASN 105 N -0.83 6.73 -0.74 4.85 0.02 -0.52 0.11 114.94 124.56 2nnz s ASN 105 Ca 0.11 1.34 -0.21 0.00 -1.02 0.00 0.00 52.86 53.08 2nnz s ASN 105 Cb -0.10 -2.40 0.09 0.00 0.02 0.00 0.00 41.25 38.86 2nnz s ASN 105 CO 0.00 -0.31 1.01 0.68 0.02 0.00 0.00 177.10 178.51 2nnz s VAL 106 N -2.15 4.46 -0.88 1.60 -7.23 -1.26 0.11 120.40 115.05 2nnz s VAL 106 Ca 0.55 -0.76 0.02 0.00 -1.81 0.00 0.00 61.98 59.98 2nnz s VAL 106 Cb -0.10 -4.71 0.09 0.00 0.56 0.00 0.00 36.38 32.22 2nnz s VAL 106 CO 0.21 -1.46 0.66 0.00 -0.31 0.00 0.00 175.10 174.20 2nnz n ILE 107 N 5.80 0.36 0.00 -0.62 3.06 -0.94 -4.70 119.36 122.31 2nnz n ILE 107 Ca 0.05 -0.16 0.00 0.00 -2.50 0.00 0.00 62.75 60.13 2nnz n ILE 107 Cb 0.46 -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 0.08 0.19 3.68 4.50 0.00 -1.20 -3.73 105.19 108.71 2nnz n GLY 108 Ca 0.03 -1.99 -0.08 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.39 1.61 0.52 -1.25 -0.01 118.95 121.02 2nnz s ARG 109 Ca 0.00 -0.99 -0.20 0.00 -0.52 0.00 0.00 55.73 54.01 2nnz s ARG 109 Cb 0.00 0.55 0.01 0.00 0.52 0.00 0.00 34.95 36.03 2nnz s ARG 109 CO 0.00 -0.70 0.61 0.42 0.02 0.00 0.00 175.30 175.66 2nnz s ILE 110 N -3.92 4.89 0.00 1.52 1.09 -1.19 -2.76 121.20 120.82 2nnz s ILE 110 Ca 0.13 0.33 0.00 0.00 -1.10 0.00 0.00 60.65 60.01 2nnz s ILE 110 Cb -0.03 -4.11 0.00 0.00 -1.06 0.00 0.00 42.46 37.26 2nnz s ILE 110 CO 0.04 -0.42 0.00 1.33 -0.10 0.00 0.00 174.94 175.79 2nnz n VAL 111 N 5.67 0.00 -1.40 2.92 0.24 -1.26 -4.60 118.33 119.90 2nnz n VAL 111 Ca -0.02 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.92 2nnz n VAL 111 Cb 0.48 -0.48 -0.07 0.00 -1.47 0.00 0.00 33.84 32.29 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 -0.44 2.35 0.00 -1.34 0.23 -1.26 -3.40 115.26 111.39 2nnz n ASN 112 Ca 0.00 -2.64 0.00 0.00 -0.53 0.00 0.00 54.58 51.41 2nnz n ASN 112 Cb 0.00 -1.29 0.00 0.00 -2.08 0.00 0.00 39.78 36.41 2nnz n ASN 112 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2nnz n SER 113 N 11.29 0.00 -3.21 0.53 7.64 -1.26 -4.42 113.62 124.20 2nnz n SER 113 Ca 0.47 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 60.12 2nnz n SER 113 Cb 0.43 0.03 0.02 0.00 -1.01 0.00 0.00 64.21 63.68 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 -1.56 -4.26 -2.60 1.43 1.56 -1.22 -4.94 117.12 105.54 2nnz n MET 114 Ca 0.00 0.70 -0.33 0.00 -0.27 0.00 0.00 57.70 57.80 2nnz n MET 114 Cb 0.00 -5.49 -0.05 0.00 2.15 0.00 0.00 33.22 29.83 2nnz n MET 114 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 2nnz s GLU 115 N -5.87 4.08 -0.58 2.12 2.56 -1.26 -4.97 118.70 114.78 2nnz s GLU 115 Ca 0.36 1.03 -0.02 0.00 0.00 0.00 0.00 54.97 56.34 2nnz s GLU 115 Cb -0.18 -2.16 0.26 0.00 2.00 0.00 0.00 34.13 34.05 2nnz s GLU 115 CO 0.44 -0.15 2.26 0.41 -0.56 0.00 0.00 175.26 177.66 2nnz n GLY 116 N -1.13 4.95 0.48 -1.50 0.00 -1.26 -4.72 105.19 102.00 2nnz n GLY 116 Ca 0.07 -1.98 0.37 0.00 0.00 0.00 0.00 46.02 44.48 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 2.97 0.24 -0.60 0.99 6.46 -1.93 0.77 115.31 124.20 2nnz h LEU 117 Ca 0.47 0.13 0.06 0.00 -0.12 0.00 0.00 57.88 58.41 2nnz h LEU 117 Cb 0.60 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 2nnz h LEU 117 CO 1.16 -0.16 0.91 0.07 -0.62 0.00 0.00 178.44 179.80 2nnz h LYS 118 N 0.09 0.00 -1.14 1.25 5.09 -1.94 0.32 116.57 120.25 2nnz h LYS 118 Ca 0.81 0.00 -0.40 0.00 0.09 0.00 0.00 60.65 61.15 2nnz h LYS 118 Cb 2.57 0.00 -0.20 0.00 0.10 0.00 0.00 32.23 34.70 2nnz h LYS 118 CO -0.39 0.00 0.51 0.41 -2.09 0.00 0.00 179.45 177.89 2nnz n GLY 119 N -1.49 4.15 3.78 0.07 0.00 0.26 -4.67 105.19 107.30 2nnz n GLY 119 Ca 0.04 -1.09 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.66 3.47 0.37 1.61 -7.23 0.11 -5.03 120.40 111.04 2nnz s VAL 120 Ca 0.41 0.69 -0.22 0.00 -1.81 0.00 0.00 61.98 61.05 2nnz s VAL 120 Cb 0.33 -3.22 -0.10 0.00 0.56 0.00 0.00 36.38 33.95 2nnz s VAL 120 CO 0.04 -0.42 0.90 0.00 -0.31 0.00 0.00 175.10 175.31 2nnz s ALA 121 N -2.38 3.16 -0.11 1.32 0.00 -1.26 -4.95 121.76 117.54 2nnz s ALA 121 Ca 0.66 0.37 -0.33 0.00 0.00 0.00 0.00 51.96 52.66 2nnz s ALA 121 Cb -0.19 -3.08 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 2nnz s ALA 121 CO 0.39 0.19 1.97 -0.40 0.00 0.00 0.00 175.76 177.91 2nnz n ASP 122 N -0.15 3.45 -2.26 0.00 5.75 -1.26 -4.17 116.55 117.92 2nnz n ASP 122 Ca 0.04 0.82 -0.04 0.00 -0.01 0.00 0.00 54.79 55.61 2nnz n ASP 122 Cb 0.53 -1.41 -0.03 0.00 -1.03 0.00 0.00 41.12 39.17 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 4.78 -4.72 3.25 6.12 0.00 -1.26 -4.99 105.19 108.37 2nnz n GLY 123 Ca 0.25 1.09 -0.11 0.00 0.00 0.00 0.00 46.02 47.24 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 -0.79 0.82 1.05 1.61 -1.05 -1.23 -5.01 118.70 114.10 2nnz s GLU 124 Ca -0.19 -0.55 -0.14 0.00 -0.15 0.00 0.00 54.97 53.94 2nnz s GLU 124 Cb 0.01 0.35 0.14 0.00 -0.44 0.00 0.00 34.13 34.20 2nnz s GLU 124 CO 0.52 -0.27 0.58 0.45 0.95 0.00 0.00 175.26 177.48 2nnz n SER 125 N 0.49 -1.63 -3.65 0.83 2.88 -1.26 -1.56 113.62 109.71 2nnz n SER 125 Ca -0.18 0.09 -0.07 0.00 -1.33 0.00 0.00 58.87 57.39 2nnz n SER 125 Cb 0.60 -1.20 -0.07 0.00 -0.75 0.00 0.00 64.21 62.79 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 -2.40 -0.20 -0.25 2.46 1.01 0.98 -4.28 120.40 117.73 2nnz s VAL 126 Ca 0.61 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.63 2nnz s VAL 126 Cb -0.20 -0.91 0.07 0.00 0.00 0.00 0.00 36.38 35.34 2nnz s VAL 126 CO 0.65 0.01 -0.02 0.68 0.00 0.00 0.00 175.10 176.42 2nnz s VAL 127 N 1.85 1.46 -0.05 2.92 -7.23 -1.25 0.12 120.40 118.22 2nnz s VAL 127 Ca -0.09 -1.29 -0.27 0.00 -1.81 0.00 0.00 61.98 58.52 2nnz s VAL 127 Cb -0.07 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 2nnz s VAL 127 CO -0.18 -0.21 0.87 -0.69 -0.31 0.00 0.00 175.10 174.58 2nnz s VAL 128 N 1.40 4.92 -0.20 1.32 1.01 -0.84 -3.76 120.40 124.26 2nnz s VAL 128 Ca -0.03 1.81 -0.10 0.00 0.00 0.00 0.00 61.98 63.66 2nnz s VAL 128 Cb -0.19 -4.21 0.07 0.00 0.00 0.00 0.00 36.38 32.05 2nnz s VAL 128 CO -0.08 0.16 0.47 -1.83 0.00 0.00 0.00 175.10 173.82 2nnz s GLU 129 N 1.15 0.45 -0.99 2.72 -1.05 -0.66 -1.06 118.70 119.27 2nnz s GLU 129 Ca 0.45 0.91 -0.23 0.00 -0.15 0.00 0.00 54.97 55.94 2nnz s GLU 129 Cb -0.19 0.05 0.01 0.00 -0.44 0.00 0.00 34.13 33.56 2nnz s GLU 129 CO 0.22 -0.16 1.64 0.50 0.95 0.00 0.00 175.26 178.41 2nnz s ARG 130 N 1.55 3.22 0.00 -4.83 3.00 -1.26 0.65 118.95 121.28 2nnz s ARG 130 Ca -0.09 -0.86 0.00 0.00 -1.00 0.00 0.00 55.73 53.78 2nnz s ARG 130 Cb -0.08 -5.26 0.00 0.00 0.00 0.00 0.00 34.95 29.61 2nnz s ARG 130 CO -0.14 -2.65 0.00 0.00 0.00 0.00 0.00 175.30 172.51