#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 0.00 0.00 3.03 0.00 -1.25 -4.43 105.19 102.53 2nnz n GLY 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 3.42 0.00 1.61 1.02 -1.26 -4.84 120.64 120.59 2nnz n GLU 3 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2nnz n GLU 3 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 0.00 0.00 0.00 3.49 3.00 -1.26 -4.19 116.66 117.70 2nnz n ARG 4 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2nnz n ARG 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 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 0.82 2.66 -0.13 0.00 -1.26 -5.03 105.19 102.25 2nnz n GLY 5 Ca 0.00 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 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 2.68 -2.68 1.61 0.24 -1.26 -4.36 118.33 114.56 2nnz n VAL 6 Ca 0.00 -5.39 -0.04 0.00 -2.04 0.00 0.00 64.34 56.87 2nnz n VAL 6 Cb 0.00 -1.76 0.13 0.00 -1.47 0.00 0.00 33.84 30.73 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 0.33 1.30 -3.59 7.34 -0.58 -1.24 -4.84 120.64 119.36 2nnz n GLU 7 Ca 0.30 -1.48 -0.41 0.00 -0.42 0.00 0.00 57.16 55.16 2nnz n GLU 7 Cb 0.40 0.22 -0.11 0.00 -0.57 0.00 0.00 31.44 31.39 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 0.14 2.79 0.00 3.49 1.75 -1.19 -3.89 119.30 122.39 2nnz s MET 8 Ca 0.15 -1.14 0.01 0.00 -1.25 0.00 0.00 55.69 53.46 2nnz s MET 8 Cb 0.43 -3.75 -0.04 0.00 2.84 0.00 0.00 34.83 34.31 2nnz s MET 8 CO -0.11 -0.74 0.03 -0.98 -0.65 0.00 0.00 175.02 172.56 2nnz s ARG 9 N 1.54 2.87 0.34 4.11 1.04 -1.26 -1.01 118.95 126.58 2nnz s ARG 9 Ca 0.02 -0.58 0.09 0.00 -1.04 0.00 0.00 55.73 54.22 2nnz s ARG 9 Cb -0.20 -2.73 -0.06 0.00 -2.04 0.00 0.00 34.95 29.92 2nnz s ARG 9 CO 0.06 0.63 -0.07 -0.48 -0.04 0.00 0.00 175.30 175.40 2nnz s LEU 10 N -1.67 2.79 0.06 -1.89 2.34 -0.27 -4.30 118.68 115.74 2nnz s LEU 10 Ca 0.21 -1.14 0.06 0.00 0.06 0.00 0.00 54.13 53.32 2nnz s LEU 10 Cb -0.12 -1.10 -0.04 0.00 -0.56 0.00 0.00 46.19 44.38 2nnz s LEU 10 CO 0.12 -0.20 -0.10 -0.60 -1.06 0.00 0.00 176.35 174.51 2nnz s ARG 11 N -3.63 2.28 -0.26 1.48 3.00 0.24 -2.85 118.95 119.22 2nnz s ARG 11 Ca 0.33 -0.91 -0.03 0.00 -1.00 0.00 0.00 55.73 54.12 2nnz s ARG 11 Cb 0.01 -2.37 0.10 0.00 0.00 0.00 0.00 34.95 32.70 2nnz s ARG 11 CO 0.17 0.55 0.19 0.42 0.00 0.00 0.00 175.30 176.62 2nnz s ILE 12 N -1.10 -0.21 0.18 4.11 1.01 -0.87 -1.97 121.20 122.35 2nnz s ILE 12 Ca 0.19 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.38 2nnz s ILE 12 Cb -0.11 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 2nnz s ILE 12 CO 0.11 -0.51 0.24 0.00 0.00 0.00 0.00 174.94 174.77 2nnz s ARG 13 N 2.22 3.22 -0.00 2.79 1.70 -1.25 -2.01 118.95 125.61 2nnz s ARG 13 Ca 0.08 -0.76 0.00 0.00 -0.47 0.00 0.00 55.73 54.59 2nnz s ARG 13 Cb -0.15 -2.81 0.00 0.00 -0.57 0.00 0.00 34.95 31.42 2nnz s ARG 13 CO -0.28 0.48 -0.01 -0.06 -1.08 0.00 0.00 175.30 174.35 2nnz s PHE 14 N -1.82 0.12 0.56 5.89 0.08 0.38 -3.85 117.98 119.34 2nnz s PHE 14 Ca 0.33 -0.01 0.39 0.00 0.12 0.00 0.00 56.93 57.76 2nnz s PHE 14 Cb -0.10 -0.11 1.52 0.00 -0.57 0.00 0.00 43.02 43.76 2nnz s PHE 14 CO 0.27 -0.02 1.66 0.93 -0.10 0.00 0.00 175.22 177.96 2nnz h GLU 15 N 6.28 0.00 0.00 0.44 3.07 -1.98 0.28 114.58 122.66 2nnz h GLU 15 Ca -0.28 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.57 2nnz h GLU 15 Cb 1.19 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.07 2nnz h GLU 15 CO 0.50 0.00 -0.29 0.43 -1.40 0.00 0.00 179.01 178.25 2nnz n SER 16 N -3.91 1.63 -3.61 1.42 7.64 -1.26 -5.07 113.62 110.46 2nnz n SER 16 Ca 0.30 -2.95 -0.05 0.00 1.01 0.00 0.00 58.87 57.18 2nnz n SER 16 Cb 1.49 -0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 64.26 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 -2.14 -2.07 0.06 -0.43 0.00 0.97 -5.03 121.76 113.13 2nnz s ALA 17 Ca 0.27 1.71 0.06 0.00 0.00 0.00 0.00 51.96 54.00 2nnz s ALA 17 Cb 0.25 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2nnz s ALA 17 CO -0.01 -0.42 -0.18 -1.83 0.00 0.00 0.00 175.76 173.32 2nnz s GLU 18 N -1.68 1.09 -0.08 0.00 1.03 -1.26 0.14 118.70 117.95 2nnz s GLU 18 Ca 0.07 -0.93 -0.31 0.00 0.03 0.00 0.00 54.97 53.84 2nnz s GLU 18 Cb -0.01 -1.19 0.08 0.00 -0.80 0.00 0.00 34.13 32.22 2nnz s GLU 18 CO -0.05 0.29 0.75 0.00 -1.33 0.00 0.00 175.26 174.92 2nnz s GLU 20 N -1.14 0.83 -0.04 0.00 2.02 -1.26 -2.06 118.70 117.06 2nnz s GLU 20 Ca -0.09 -1.21 -0.24 0.00 0.02 0.00 0.00 54.97 53.46 2nnz s GLU 20 Cb -0.00 -0.40 0.05 0.00 0.10 0.00 0.00 34.13 33.88 2nnz s GLU 20 CO 0.08 0.04 0.51 0.54 0.02 0.00 0.00 175.26 176.46 2nnz s VAL 21 N -2.85 0.03 0.51 2.63 0.11 -1.13 -4.02 120.40 115.68 2nnz s VAL 21 Ca 0.07 -0.21 0.08 0.00 -2.93 0.00 0.00 61.98 58.99 2nnz s VAL 21 Cb -0.00 -0.83 0.08 0.00 -1.53 0.00 0.00 36.38 34.10 2nnz s VAL 21 CO -0.02 -0.12 0.64 -0.62 -3.33 0.00 0.00 175.10 171.66 2nnz n GLU 22 N 1.09 0.67 -3.68 1.54 1.02 -1.02 -1.12 120.64 119.15 2nnz n GLU 22 Ca -0.20 -2.85 -0.15 0.00 -0.02 0.00 0.00 57.16 53.94 2nnz n GLU 22 Cb 0.57 -0.09 -0.08 0.00 -0.02 0.00 0.00 31.44 31.81 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 0.31 0.08 -4.62 2.96 -0.18 -3.70 118.68 113.53 2nnz s LEU 23 Ca 0.48 0.34 0.07 0.00 -0.22 0.00 0.00 54.13 54.80 2nnz s LEU 23 Cb -0.04 1.72 -0.03 0.00 0.50 0.00 0.00 46.19 48.34 2nnz s LEU 23 CO 0.31 -0.49 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.36 2nnz s TYR 24 N -1.21 1.56 -0.89 5.38 2.02 -1.26 -3.18 117.35 119.76 2nnz s TYR 24 Ca -0.12 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.16 2nnz s TYR 24 Cb -0.03 -0.88 0.00 0.00 -0.40 0.00 0.00 41.96 40.65 2nnz s TYR 24 CO 0.06 0.13 0.85 0.39 -1.57 0.00 0.00 175.55 175.41 2nnz n GLU 25 N 1.33 0.00 -0.25 -0.62 1.02 -1.26 -3.10 120.64 117.76 2nnz n GLU 25 Ca -0.20 0.36 0.32 0.00 -0.02 0.00 0.00 57.16 57.63 2nnz n GLU 25 Cb 0.54 -1.59 0.67 0.00 -0.02 0.00 0.00 31.44 31.04 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 0.40 114.58 120.63 2nnz h GLU 26 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 2nnz h GLU 26 Cb 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2nnz h GLU 26 CO 0.00 0.00 -0.19 2.35 0.07 0.00 0.00 179.01 181.24 2nnz h TRP 27 N 0.00 0.00 0.00 2.06 -0.00 -1.83 -3.43 115.95 112.75 2nnz h TRP 27 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.40 2nnz h TRP 27 Cb 2.42 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.58 2nnz h TRP 27 CO 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 178.44 178.83 2nnz n ALA 28 N -2.92 0.00 -0.39 2.65 0.00 0.13 -4.72 120.51 115.25 2nnz n ALA 28 Ca -0.06 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.70 2nnz n ALA 28 Cb 0.22 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.31 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 0.17 -0.00 0.00 0.10 -1.93 0.15 132.00 130.49 2nnz h PRO 29 Ca 0.00 -0.01 -0.00 0.00 0.10 0.00 0.00 66.00 66.09 2nnz h PRO 29 Cb 0.00 -0.04 -0.00 0.00 0.10 0.00 0.00 31.00 31.06 2nnz h PRO 29 CO 0.00 0.11 0.00 0.93 0.10 0.00 0.00 178.00 179.15 2nnz h GLU 30 N 0.18 0.00 -0.41 1.05 3.07 -1.96 -2.87 114.58 113.65 2nnz h GLU 30 Ca 0.69 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.52 2nnz h GLU 30 Cb 2.19 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 30.08 2nnz h GLU 30 CO -0.25 0.08 0.16 1.79 -1.40 0.00 0.00 179.01 179.39 2nnz h THR 31 N -0.08 1.20 -1.07 1.13 1.35 -1.36 -2.42 112.91 111.65 2nnz h THR 31 Ca 0.00 -0.63 0.30 0.00 -0.55 0.00 0.00 66.41 65.53 2nnz h THR 31 Cb 0.08 0.85 -0.05 0.00 -1.73 0.00 0.00 68.15 67.29 2nnz h THR 31 CO -0.00 0.23 0.75 0.58 -0.25 0.00 0.00 175.52 176.83 2nnz h VAL 32 N 0.52 0.48 -0.72 6.82 2.07 -1.31 0.31 116.25 124.41 2nnz h VAL 32 Ca 0.14 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 2nnz h VAL 32 Cb 0.20 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2nnz h VAL 32 CO -0.01 0.02 0.36 -0.09 0.02 0.00 0.00 177.57 177.86 2nnz h ARG 33 N 0.09 1.02 -0.23 1.57 2.43 -1.21 -2.25 114.38 115.81 2nnz h ARG 33 Ca 0.53 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.54 2nnz h ARG 33 Cb 1.94 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 31.28 2nnz h ARG 33 CO -0.07 0.78 0.04 0.00 -1.51 0.00 0.00 179.97 179.21 2nnz h ALA 34 N 1.37 0.31 -0.14 2.80 0.00 -0.47 -0.00 119.26 123.13 2nnz h ALA 34 Ca 0.25 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2nnz h ALA 34 Cb 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2nnz h ALA 34 CO -0.03 -0.02 -0.12 0.82 0.00 0.00 0.00 179.25 179.90 2nnz h ILE 35 N 0.19 0.66 0.00 0.00 1.08 -1.40 0.55 117.51 118.59 2nnz h ILE 35 Ca 0.07 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.52 2nnz h ILE 35 Cb 0.32 0.66 -0.00 0.00 -3.07 0.00 0.00 36.82 34.72 2nnz h ILE 35 CO 0.00 0.00 -0.08 0.00 -0.69 0.00 0.00 178.15 177.38 2nnz h ALA 36 N 0.96 1.67 0.00 1.87 0.00 -1.31 -0.49 119.26 121.96 2nnz h ALA 36 Ca 0.09 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2nnz h ALA 36 Cb 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2nnz h ALA 36 CO -0.22 0.10 -0.24 0.22 0.00 0.00 0.00 179.25 179.11 2nnz h ASP 37 N 0.00 0.00 -2.00 0.00 1.82 0.11 -3.27 116.42 113.08 2nnz h ASP 37 Ca -0.00 0.00 -0.76 0.00 -0.39 0.00 0.00 57.03 55.88 2nnz h ASP 37 Cb 0.16 0.00 -0.28 0.00 0.68 0.00 0.00 39.33 39.89 2nnz h ASP 37 CO 0.01 0.24 0.92 0.00 -1.61 0.00 0.00 179.24 178.80 2nnz n ALA 38 N -2.20 6.35 -1.00 -0.78 0.00 -0.19 -5.01 120.51 117.67 2nnz n ALA 38 Ca 0.01 -4.20 0.00 0.00 0.00 0.00 0.00 53.44 49.25 2nnz n ALA 38 Cb 0.49 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 -0.47 0.00 -1.67 0.00 4.77 -1.23 -4.55 117.00 113.84 2nnz n LEU 39 Ca 0.52 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 56.30 2nnz n LEU 39 Cb 0.27 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 2nnz n LEU 39 CO 0.50 -0.45 0.75 -2.65 -1.33 0.00 0.00 177.39 174.21 2nnz n PRO 40 N 0.00 0.00 -3.82 3.23 -0.02 -0.42 -4.54 135.00 129.44 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 32.81 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 2.85 0.08 0.05 4.25 1.01 -0.45 -4.96 121.20 124.02 2nnz s ILE 41 Ca 0.49 -0.62 -0.24 0.00 0.00 0.00 0.00 60.65 60.28 2nnz s ILE 41 Cb -0.53 -0.58 -0.06 0.00 0.01 0.00 0.00 42.46 41.30 2nnz s ILE 41 CO 0.22 -0.34 0.72 -0.54 0.00 0.00 0.00 174.94 175.00 2nnz s LYS 42 N -1.54 4.45 -0.01 2.79 1.02 -1.26 -1.92 119.74 123.27 2nnz s LYS 42 Ca -0.13 0.99 -0.09 0.00 0.02 0.00 0.00 55.97 56.75 2nnz s LYS 42 Cb -0.06 -3.34 0.01 0.00 -0.52 0.00 0.00 37.83 33.92 2nnz s LYS 42 CO 0.02 0.35 0.19 -1.54 -0.92 0.00 0.00 175.35 173.44 2nnz s SER 43 N -0.24 -0.05 -0.18 2.83 1.04 0.40 -4.89 113.70 112.61 2nnz s SER 43 Ca 0.36 -0.08 -0.08 0.00 0.48 0.00 0.00 55.95 56.63 2nnz s SER 43 Cb -0.20 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 2nnz s SER 43 CO 0.22 -0.37 0.10 -0.89 0.98 0.00 0.00 173.24 173.28 2nnz s THR 44 N -1.25 5.14 -0.00 2.02 2.01 -1.26 0.10 115.64 122.40 2nnz s THR 44 Ca -0.13 0.09 -0.19 0.00 0.31 0.00 0.00 61.69 61.76 2nnz s THR 44 Cb -0.06 -3.31 -0.06 0.00 0.01 0.00 0.00 72.50 69.08 2nnz s THR 44 CO 0.02 0.48 0.54 0.00 -0.69 0.00 0.00 174.62 174.98 2nnz s ALA 45 N 0.08 3.54 -0.31 7.40 0.00 0.01 -4.24 121.76 128.25 2nnz s ALA 45 Ca 0.07 -0.04 -0.11 0.00 0.00 0.00 0.00 51.96 51.88 2nnz s ALA 45 Cb -0.12 -2.65 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 2nnz s ALA 45 CO -0.00 0.24 0.20 -0.80 0.00 0.00 0.00 175.76 175.40 2nnz s ASN 46 N -0.40 5.94 -0.00 0.00 -0.87 -0.96 -3.49 114.94 115.16 2nnz s ASN 46 Ca 0.29 -0.25 -0.24 0.00 -1.57 0.00 0.00 52.86 51.09 2nnz s ASN 46 Cb -0.18 -2.10 -0.05 0.00 -0.02 0.00 0.00 41.25 38.90 2nnz s ASN 46 CO 0.16 -0.14 0.71 -0.13 -2.57 0.00 0.00 177.10 175.13 2nnz s ARG 47 N 1.72 4.44 -0.05 -0.60 3.00 -1.26 -3.18 118.95 123.02 2nnz s ARG 47 Ca 0.06 0.94 -0.22 0.00 0.00 0.00 0.00 55.73 56.52 2nnz s ARG 47 Cb -0.17 -3.39 0.04 0.00 0.00 0.00 0.00 34.95 31.44 2nnz s ARG 47 CO 0.10 0.22 0.48 -0.46 0.00 0.00 0.00 175.30 175.64 2nnz s TRP 48 N 0.23 -0.41 -0.30 -0.53 -0.11 -0.65 -4.92 118.94 112.25 2nnz s TRP 48 Ca 0.37 0.74 -0.03 0.00 1.22 0.00 0.00 56.10 58.40 2nnz s TRP 48 Cb -0.19 0.23 -0.10 0.00 -1.50 0.00 0.00 33.47 31.91 2nnz s TRP 48 CO 0.20 -0.46 0.88 0.41 -4.62 0.00 0.00 176.95 173.36 2nnz n GLY 49 N 1.31 -0.15 4.33 5.86 0.00 -1.26 -0.45 105.19 114.84 2nnz n GLY 49 Ca -0.20 -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 2.71 0.00 -4.71 1.61 2.03 -1.26 -4.14 116.55 112.79 2nnz n ASP 50 Ca 0.20 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.09 2nnz n ASP 50 Cb 0.16 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 4.37 -0.07 -0.67 2.12 0.41 -4.64 118.70 120.22 2nnz s GLU 51 Ca 0.00 1.89 0.00 0.00 0.36 0.00 0.00 54.97 57.22 2nnz s GLU 51 Cb 0.00 -3.34 0.02 0.00 0.26 0.00 0.00 34.13 31.07 2nnz s GLU 51 CO 0.00 -0.36 -0.04 -1.50 -0.54 0.00 0.00 175.26 172.81 2nnz s ILE 52 N 1.26 0.64 -0.03 -3.70 1.10 -1.26 -1.63 121.20 117.59 2nnz s ILE 52 Ca 0.61 -0.11 0.01 0.00 -0.51 0.00 0.00 60.65 60.65 2nnz s ILE 52 Cb -0.32 -0.69 0.01 0.00 0.15 0.00 0.00 42.46 41.61 2nnz s ILE 52 CO 0.29 0.28 -0.04 -0.72 -2.11 0.00 0.00 174.94 172.64 2nnz s TYR 53 N 1.39 0.55 0.01 3.50 -0.85 -1.19 -2.82 117.35 117.94 2nnz s TYR 53 Ca -0.03 -0.11 0.01 0.00 -0.52 0.00 0.00 57.07 56.41 2nnz s TYR 53 Cb -0.13 -0.48 -0.01 0.00 0.38 0.00 0.00 41.96 41.71 2nnz s TYR 53 CO -0.03 -0.11 -0.03 -0.59 -1.52 0.00 0.00 175.55 173.27 2nnz s PHE 54 N 0.59 0.27 0.15 -3.49 -0.12 -1.18 -2.26 117.98 111.93 2nnz s PHE 54 Ca -0.07 -0.30 -0.08 0.00 -0.05 0.00 0.00 56.93 56.44 2nnz s PHE 54 Cb -0.10 -0.18 -0.06 0.00 -0.63 0.00 0.00 43.02 42.05 2nnz s PHE 54 CO -0.00 -0.09 0.44 0.99 -0.05 0.00 0.00 175.22 176.51 2nnz s THR 55 N -0.80 5.07 0.00 -4.49 2.01 -1.26 -3.58 115.64 112.59 2nnz s THR 55 Ca -0.07 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.23 2nnz s THR 55 Cb -0.06 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.82 2nnz s THR 55 CO -0.00 0.08 0.72 0.35 -0.69 0.00 0.00 174.62 175.07 2nnz n THR 56 N 0.26 0.50 -0.15 -0.82 -2.24 -1.26 -4.37 114.28 106.20 2nnz n THR 56 Ca -0.03 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 2nnz n THR 56 Cb 0.52 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 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 -0.25 0.00 -2.89 -0.78 1.13 -1.26 -5.00 117.38 108.33 2nnz n GLN 57 Ca 0.00 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 2nnz n GLN 57 Cb 0.18 -1.40 -0.04 0.00 0.11 0.00 0.00 30.24 29.09 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 -2.98 4.66 -0.53 5.09 0.11 -1.26 -5.00 120.40 120.49 2nnz s VAL 58 Ca 0.00 1.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.95 2nnz s VAL 58 Cb 0.00 -4.27 0.13 0.00 -1.53 0.00 0.00 36.38 30.71 2nnz s VAL 58 CO 0.00 -0.50 0.42 0.00 -3.33 0.00 0.00 175.10 171.69 2nnz s ALA 59 N 3.29 3.52 -0.23 1.54 0.00 -1.26 -4.83 121.76 123.79 2nnz s ALA 59 Ca 0.34 -2.66 -0.02 0.00 0.00 0.00 0.00 51.96 49.62 2nnz s ALA 59 Cb -0.13 -2.96 0.07 0.00 0.00 0.00 0.00 23.12 20.11 2nnz s ALA 59 CO 0.18 -1.98 0.06 0.54 0.00 0.00 0.00 175.76 174.56 2nnz s VAL 60 N 1.20 0.55 -0.05 0.00 0.11 -1.26 -5.13 120.40 115.83 2nnz s VAL 60 Ca 0.07 -0.77 0.04 0.00 -2.93 0.00 0.00 61.98 58.38 2nnz s VAL 60 Cb -0.25 -1.18 0.00 0.00 -1.53 0.00 0.00 36.38 33.42 2nnz s VAL 60 CO -0.01 -0.36 -0.16 -1.61 -3.33 0.00 0.00 175.10 169.63 2nnz s GLU 61 N 1.82 1.78 0.12 1.54 2.02 -1.26 -4.81 118.70 119.92 2nnz s GLU 61 Ca 0.02 -0.56 -0.01 0.00 0.02 0.00 0.00 54.97 54.44 2nnz s GLU 61 Cb -0.17 -1.52 -0.04 0.00 0.10 0.00 0.00 34.13 32.50 2nnz s GLU 61 CO -0.15 0.19 0.05 0.21 0.02 0.00 0.00 175.26 175.58 2nnz s LYS 62 N 0.20 0.89 -0.93 1.61 2.20 -1.26 -5.10 119.74 117.35 2nnz s LYS 62 Ca -0.07 -1.41 -0.13 0.00 -0.36 0.00 0.00 55.97 54.00 2nnz s LYS 62 Cb -0.13 0.24 0.23 0.00 -1.51 0.00 0.00 37.83 36.67 2nnz s LYS 62 CO 0.03 -0.25 0.90 -1.21 -0.36 0.00 0.00 175.35 174.47 2nnz s GLU 63 N -4.03 3.79 -0.06 4.03 8.01 -1.26 -4.97 118.70 124.21 2nnz s GLU 63 Ca 0.22 -2.65 -0.31 0.00 0.01 0.00 0.00 54.97 52.24 2nnz s GLU 63 Cb 0.07 -4.51 0.11 0.00 -4.31 0.00 0.00 34.13 25.50 2nnz s GLU 63 CO 0.00 -1.31 1.01 -2.00 0.01 0.00 0.00 175.26 172.98 2nnz s GLU 64 N -0.10 0.64 0.50 1.61 2.12 -1.26 -5.04 118.70 117.18 2nnz s GLU 64 Ca 0.23 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.31 2nnz s GLU 64 Cb -0.10 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.58 2nnz s GLU 64 CO -0.09 -0.28 0.00 -1.71 -0.54 0.00 0.00 175.26 172.64 2nnz n ASN 65 N -0.20 0.00 -1.76 -1.70 2.85 -1.26 -4.85 115.26 108.33 2nnz n ASN 65 Ca -0.05 0.00 -0.11 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 41.64 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 2.13 -1.81 -4.96 1.20 7.64 -1.26 -4.92 113.62 111.63 2nnz n SER 66 Ca 0.00 -0.03 -0.21 0.00 1.01 0.00 0.00 58.87 59.64 2nnz n SER 66 Cb 0.00 -0.51 -0.02 0.00 -1.01 0.00 0.00 64.21 62.67 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 -0.74 3.32 0.00 1.43 0.00 0.34 -4.50 119.74 119.59 2nnz s LYS 67 Ca 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 55.97 55.24 2nnz s LYS 67 Cb -0.01 -2.84 0.00 0.00 0.00 0.00 0.00 37.83 34.98 2nnz s LYS 67 CO 0.25 0.35 0.11 -0.40 0.00 0.00 0.00 175.35 175.66 2nnz n ASP 68 N -1.43 0.22 -4.18 0.03 5.75 -1.26 0.54 116.55 116.22 2nnz n ASP 68 Ca -0.07 -0.58 -0.24 0.00 -0.01 0.00 0.00 54.79 53.89 2nnz n ASP 68 Cb 0.57 0.65 -0.15 0.00 -1.03 0.00 0.00 41.12 41.16 2nnz n ASP 68 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2nnz s VAL 69 N -0.65 1.39 -0.11 2.12 0.11 -1.26 -4.42 120.40 117.58 2nnz s VAL 69 Ca 0.00 -0.86 -0.28 0.00 -2.93 0.00 0.00 61.98 57.91 2nnz s VAL 69 Cb 0.00 -1.18 0.07 0.00 -1.53 0.00 0.00 36.38 33.74 2nnz s VAL 69 CO 0.00 0.31 0.67 0.68 -3.33 0.00 0.00 175.10 173.42 2nnz s VAL 70 N -0.53 0.00 0.31 2.04 -7.23 -1.26 -5.10 120.40 108.63 2nnz s VAL 70 Ca 0.06 -0.02 -0.09 0.00 -1.81 0.00 0.00 61.98 60.12 2nnz s VAL 70 Cb -0.07 -0.97 -0.07 0.00 0.56 0.00 0.00 36.38 35.83 2nnz s VAL 70 CO 0.00 -0.01 0.64 -1.61 -0.31 0.00 0.00 175.10 173.81 2nnz s GLU 71 N -0.71 3.77 -0.27 4.82 2.02 -1.26 -4.84 118.70 122.22 2nnz s GLU 71 Ca -0.08 0.31 -0.43 0.00 0.02 0.00 0.00 54.97 54.79 2nnz s GLU 71 Cb -0.02 -2.54 -0.19 0.00 0.10 0.00 0.00 34.13 31.48 2nnz s GLU 71 CO 0.07 0.16 1.42 -0.11 0.02 0.00 0.00 175.26 176.82 2nnz n LEU 72 N -0.75 0.93 0.00 1.80 7.94 -1.26 -2.03 117.00 123.63 2nnz n LEU 72 Ca 0.01 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 2nnz n LEU 72 Cb 0.53 -0.94 0.00 0.00 0.53 0.00 0.00 43.42 43.55 2nnz n LEU 72 CO 0.46 -1.18 0.00 0.61 -1.11 0.00 0.00 177.39 176.17 2nnz n GLY 73 N 3.08 1.62 3.70 -3.96 0.00 -1.26 -5.08 105.19 103.28 2nnz n GLY 73 Ca 0.26 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2nnz n GLY 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2nnz s ASP 74 N -0.31 6.88 0.17 1.61 1.01 -0.86 -2.78 116.67 122.39 2nnz s ASP 74 Ca 0.00 2.14 -0.05 0.00 0.71 0.00 0.00 52.55 55.35 2nnz s ASP 74 Cb 0.00 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.30 2nnz s ASP 74 CO 0.00 -0.66 0.41 -0.69 0.21 0.00 0.00 175.17 174.44 2nnz s VAL 75 N 1.88 5.13 0.02 -1.27 1.01 0.12 -4.70 120.40 122.59 2nnz s VAL 75 Ca 0.63 0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.59 2nnz s VAL 75 Cb -0.32 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2nnz s VAL 75 CO 0.28 -0.01 0.16 0.00 0.00 0.00 0.00 175.10 175.52 2nnz s ALA 76 N -1.72 -0.31 -0.21 5.51 0.00 -1.25 -1.29 121.76 122.49 2nnz s ALA 76 Ca 0.42 -0.26 -0.04 0.00 0.00 0.00 0.00 51.96 52.08 2nnz s ALA 76 Cb -0.12 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 2nnz s ALA 76 CO 0.25 -0.30 -0.03 -0.47 0.00 0.00 0.00 175.76 175.21 2nnz s TYR 77 N -2.14 2.98 0.14 0.00 5.04 0.59 -2.63 117.35 121.34 2nnz s TYR 77 Ca -0.09 -0.70 -0.31 0.00 -2.44 0.00 0.00 57.07 53.53 2nnz s TYR 77 Cb -0.03 -2.08 -0.10 0.00 0.35 0.00 0.00 41.96 40.09 2nnz s TYR 77 CO -0.02 -0.39 1.73 -0.46 -1.34 0.00 0.00 175.55 175.07 2nnz s TRP 78 N 1.21 2.54 -0.04 4.97 -0.00 0.31 -2.31 118.94 125.62 2nnz s TRP 78 Ca 0.03 0.24 -0.05 0.00 -0.00 0.00 0.00 56.10 56.32 2nnz s TRP 78 Cb -0.14 -4.09 -0.03 0.00 -0.00 0.00 0.00 33.47 29.21 2nnz s TRP 78 CO -0.00 -4.30 0.32 0.82 -0.00 0.00 0.00 176.95 173.79 2nnz h ILE 79 N 4.37 0.00 -0.53 5.86 2.04 -1.82 -2.91 117.51 124.52 2nnz h ILE 79 Ca -0.44 -0.44 -0.25 0.00 1.00 0.00 0.00 64.86 64.73 2nnz h ILE 79 Cb 1.21 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 2nnz h ILE 79 CO 0.94 0.00 0.71 -2.16 0.00 0.00 0.00 178.15 177.64 2nnz s PRO 80 N -2.15 2.29 0.00 2.37 0.04 -1.26 -1.61 135.00 134.68 2nnz s PRO 80 Ca -0.03 -0.53 0.00 0.00 0.04 0.00 0.00 61.00 60.48 2nnz s PRO 80 Cb 0.00 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.45 2nnz s PRO 80 CO 0.08 -3.93 0.00 0.41 0.04 0.00 0.00 177.00 173.61 2nnz n GLY 81 N 6.40 0.51 3.56 0.56 0.00 -1.26 -4.82 105.19 110.15 2nnz n GLY 81 Ca 0.43 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.77 -4.45 1.61 4.01 -0.63 -4.94 118.16 109.99 2nnz n LYS 82 Ca 0.00 0.50 -0.34 0.00 -0.51 0.00 0.00 58.31 57.96 2nnz n LYS 82 Cb 0.00 -5.25 -0.11 0.00 -0.51 0.00 0.00 35.03 29.16 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 -3.05 3.05 0.21 7.82 0.00 -1.11 -4.66 121.76 124.02 2nnz s ALA 83 Ca 0.49 -0.83 -0.10 0.00 0.00 0.00 0.00 51.96 51.52 2nnz s ALA 83 Cb -0.26 -1.47 -0.07 0.00 0.00 0.00 0.00 23.12 21.33 2nnz s ALA 83 CO 0.60 0.37 0.53 0.42 0.00 0.00 0.00 175.76 177.68 2nnz s ILE 84 N -0.15 4.95 0.05 0.00 1.01 -1.24 0.11 121.20 125.94 2nnz s ILE 84 Ca 0.03 0.46 -0.05 0.00 0.00 0.00 0.00 60.65 61.09 2nnz s ILE 84 Cb -0.13 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.70 2nnz s ILE 84 CO 0.02 -0.02 0.07 0.00 0.00 0.00 0.00 174.94 175.02 2nnz s LEU 86 N -2.38 3.44 -0.04 0.00 0.20 -1.13 -3.81 118.68 114.96 2nnz s LEU 86 Ca -0.01 -0.45 0.00 0.00 0.69 0.00 0.00 54.13 54.36 2nnz s LEU 86 Cb 0.01 -2.00 0.03 0.00 -0.43 0.00 0.00 46.19 43.80 2nnz s LEU 86 CO -0.07 0.01 -0.01 -0.36 -0.29 0.00 0.00 176.35 175.64 2nnz s PHE 87 N -2.11 0.47 -0.36 5.38 0.08 -1.26 -4.08 117.98 116.10 2nnz s PHE 87 Ca 0.31 -0.06 0.05 0.00 0.12 0.00 0.00 56.93 57.35 2nnz s PHE 87 Cb -0.08 -0.55 0.24 0.00 -0.57 0.00 0.00 43.02 42.06 2nnz s PHE 87 CO 0.21 -0.19 1.22 1.19 -0.10 0.00 0.00 175.22 177.55 2nnz n PHE 88 N 4.40 -1.45 0.00 0.36 3.72 -1.26 -4.50 117.46 118.72 2nnz n PHE 88 Ca -0.21 -1.33 0.00 0.00 -0.05 0.00 0.00 57.45 55.87 2nnz n PHE 88 Cb 0.50 1.39 0.00 0.00 -0.94 0.00 0.00 39.48 40.44 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 -0.40 -1.46 3.70 1.37 0.00 -1.26 -4.89 105.19 102.25 2nnz n GLY 89 Ca -0.13 0.48 -0.10 0.00 0.00 0.00 0.00 46.02 46.27 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 2.03 0.15 1.61 0.00 -1.26 -4.94 119.74 117.34 2nnz s LYS 90 Ca 0.00 -1.46 0.02 0.00 0.00 0.00 0.00 55.97 54.53 2nnz s LYS 90 Cb 0.00 0.56 -0.01 0.00 0.00 0.00 0.00 37.83 38.38 2nnz s LYS 90 CO 0.00 -0.91 0.16 2.41 0.00 0.00 0.00 175.35 177.01 2nnz n THR 91 N -0.52 0.00 0.11 3.79 -1.04 -1.26 -3.73 114.28 111.63 2nnz n THR 91 Ca -0.05 -0.96 0.16 0.00 -2.04 0.00 0.00 64.05 61.16 2nnz n THR 91 Cb 0.60 0.52 0.44 0.00 -1.82 0.00 0.00 70.33 70.08 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 -2.41 -2.82 0.11 -1.88 -2.81 132.00 122.20 2nnz h PRO 92 Ca -0.11 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.41 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 -0.86 -0.89 -0.21 0.00 0.00 178.00 176.20 2nnz n ILE 93 N -3.05 0.10 0.09 4.15 -0.00 -1.26 -4.92 119.36 114.47 2nnz n ILE 93 Ca 0.09 -4.17 0.02 0.00 -0.00 0.00 0.00 62.75 58.69 2nnz n ILE 93 Cb 0.99 -1.92 0.19 0.00 -0.00 0.00 0.00 39.64 38.90 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 1.99 3.26 0.00 4.38 7.64 -1.06 -3.21 113.62 126.61 2nnz n SER 94 Ca 0.26 -2.46 0.00 0.00 1.01 0.00 0.00 58.87 57.67 2nnz n SER 94 Cb 0.45 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 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 0.26 0.00 -0.05 6.43 9.92 -1.26 -4.25 116.55 127.60 2nnz n ASP 95 Ca 0.14 0.27 0.06 0.00 -0.53 0.00 0.00 54.79 54.73 2nnz n ASP 95 Cb 0.73 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 41.15 2nnz n ASP 95 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2nnz n ASP 96 N -0.46 0.68 -1.49 -2.24 8.00 -1.26 -5.05 116.55 114.72 2nnz n ASP 96 Ca 0.00 -0.84 -0.03 0.00 0.71 0.00 0.00 54.79 54.63 2nnz n ASP 96 Cb 0.00 0.91 0.00 0.00 -0.02 0.00 0.00 41.12 42.01 2nnz n ASP 96 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2nnz n LYS 97 N -1.10 0.25 -3.53 -1.24 5.02 -1.26 -5.13 118.16 111.17 2nnz n LYS 97 Ca 0.03 -0.65 -0.42 0.00 -2.02 0.00 0.00 58.31 55.25 2nnz n LYS 97 Cb 0.19 0.72 -0.10 0.00 -0.02 0.00 0.00 35.03 35.83 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 -2.67 4.65 -0.56 -0.18 1.01 -1.26 -3.82 121.20 118.37 2nnz s ILE 98 Ca 0.06 -1.14 -0.16 0.00 0.00 0.00 0.00 60.65 59.40 2nnz s ILE 98 Cb -0.01 -3.76 0.14 0.00 0.01 0.00 0.00 42.46 38.84 2nnz s ILE 98 CO 0.04 -0.46 0.52 -0.13 0.00 0.00 0.00 174.94 174.92 2nnz s ARG 99 N 1.53 3.03 0.26 2.79 1.81 -1.20 -4.62 118.95 122.56 2nnz s ARG 99 Ca 0.03 -1.75 0.06 0.00 -1.72 0.00 0.00 55.73 52.35 2nnz s ARG 99 Cb -0.22 -4.31 0.33 0.00 -0.45 0.00 0.00 34.95 30.29 2nnz s ARG 99 CO 0.05 -1.33 1.61 -1.00 -0.68 0.00 0.00 175.30 173.94 2nnz h PRO 100 N 8.82 0.19 0.00 3.54 0.13 -1.93 -3.38 132.00 139.37 2nnz h PRO 100 Ca -0.27 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2nnz h PRO 100 Cb 1.10 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2nnz h PRO 100 CO 1.02 0.70 0.00 0.00 -0.23 0.00 0.00 178.00 179.49 2nnz n ALA 101 N -2.46 0.00 0.37 -0.56 0.00 -1.26 -4.94 120.51 111.65 2nnz n ALA 101 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.46 2nnz n ALA 101 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 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 0.00 1.00 -2.70 0.00 7.64 -1.26 -4.77 113.62 113.53 2nnz n SER 102 Ca 0.00 -1.00 -0.06 0.00 1.01 0.00 0.00 58.87 58.83 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 -0.41 -2.75 -2.36 -0.43 0.00 -1.26 -4.70 120.51 108.61 2nnz n ALA 103 Ca 0.03 -0.69 -0.29 0.00 0.00 0.00 0.00 53.44 52.49 2nnz n ALA 103 Cb 0.17 -2.48 -0.15 0.00 0.00 0.00 0.00 19.45 16.98 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 0.45 1.95 0.38 0.00 -7.23 0.19 -3.71 120.40 112.43 2nnz s VAL 104 Ca 0.28 -1.17 -0.12 0.00 -1.81 0.00 0.00 61.98 59.16 2nnz s VAL 104 Cb 0.19 -1.65 -0.07 0.00 0.56 0.00 0.00 36.38 35.41 2nnz s VAL 104 CO -0.14 0.44 0.76 0.20 -0.31 0.00 0.00 175.10 176.05 2nnz s ASN 105 N -0.87 6.62 -0.62 4.85 0.01 -0.98 0.13 114.94 124.08 2nnz s ASN 105 Ca 0.10 1.20 -0.23 0.00 -0.71 0.00 0.00 52.86 53.22 2nnz s ASN 105 Cb -0.09 -2.35 0.06 0.00 0.41 0.00 0.00 41.25 39.28 2nnz s ASN 105 CO 0.00 -0.33 0.93 0.68 -1.51 0.00 0.00 177.10 176.87 2nnz s VAL 106 N -2.24 4.39 -0.59 1.60 -7.23 -1.26 -0.30 120.40 114.77 2nnz s VAL 106 Ca 0.53 -0.20 0.04 0.00 -1.81 0.00 0.00 61.98 60.54 2nnz s VAL 106 Cb -0.10 -4.61 0.30 0.00 0.56 0.00 0.00 36.38 32.52 2nnz s VAL 106 CO 0.26 -1.31 1.06 0.00 -0.31 0.00 0.00 175.10 174.80 2nnz n ILE 107 N 5.97 1.22 0.00 -0.62 3.06 -0.41 -4.72 119.36 123.86 2nnz n ILE 107 Ca -0.03 -0.57 0.00 0.00 -2.50 0.00 0.00 62.75 59.65 2nnz n ILE 107 Cb 0.46 -0.50 0.00 0.00 0.54 0.00 0.00 39.64 40.14 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 0.16 0.22 3.44 4.50 0.00 -1.19 -3.80 105.19 108.52 2nnz n GLY 108 Ca 0.13 -2.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 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 1.27 -0.37 1.61 0.52 -1.25 0.13 118.95 120.86 2nnz s ARG 109 Ca 0.00 -0.81 -0.20 0.00 -0.52 0.00 0.00 55.73 54.20 2nnz s ARG 109 Cb 0.00 0.50 0.00 0.00 0.52 0.00 0.00 34.95 35.98 2nnz s ARG 109 CO 0.00 -0.52 0.59 0.42 0.02 0.00 0.00 175.30 175.81 2nnz s ILE 110 N -3.85 4.93 0.00 1.52 1.09 -1.12 -2.44 121.20 121.33 2nnz s ILE 110 Ca 0.07 0.39 0.00 0.00 -1.10 0.00 0.00 60.65 60.02 2nnz s ILE 110 Cb 0.00 -4.06 0.00 0.00 -1.06 0.00 0.00 42.46 37.34 2nnz s ILE 110 CO -0.06 -0.34 0.00 1.33 -0.10 0.00 0.00 174.94 175.77 2nnz n VAL 111 N 5.58 0.00 -1.06 2.92 0.24 -1.26 -4.73 118.33 120.02 2nnz n VAL 111 Ca -0.03 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.94 2nnz n VAL 111 Cb 0.48 -0.54 -0.03 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 -0.47 4.77 0.00 -1.34 6.94 -1.26 -3.25 115.26 120.66 2nnz n ASN 112 Ca 0.00 -2.52 0.00 0.00 -0.02 0.00 0.00 54.58 52.04 2nnz n ASN 112 Cb 0.00 -1.25 0.00 0.00 -2.36 0.00 0.00 39.78 36.17 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 5.22 0.00 -3.66 0.53 7.64 -1.26 -4.56 113.62 117.54 2nnz n SER 113 Ca 0.52 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.98 2nnz n SER 113 Cb 0.25 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.39 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 1.31 -0.67 1.43 1.56 -1.20 -4.59 117.12 114.97 2nnz n MET 114 Ca 0.00 -1.77 0.00 0.00 -0.27 0.00 0.00 57.70 55.66 2nnz n MET 114 Cb 0.00 -2.91 0.00 0.00 2.15 0.00 0.00 33.22 32.46 2nnz n MET 114 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 2nnz n GLU 115 N 7.19 1.89 -2.45 2.12 2.13 -1.26 -5.07 120.64 125.20 2nnz n GLU 115 Ca 0.49 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 58.13 2nnz n GLU 115 Cb 0.41 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.14 2nnz n GLU 115 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2nnz n GLY 116 N 5.00 4.49 0.37 8.31 0.00 -1.26 -4.89 105.19 117.22 2nnz n GLY 116 Ca 0.00 -2.15 0.29 0.00 0.00 0.00 0.00 46.02 44.16 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 2.55 0.39 -1.31 0.99 5.85 -1.95 0.15 115.31 121.98 2nnz h LEU 117 Ca 0.16 0.19 0.30 0.00 0.84 0.00 0.00 57.88 59.36 2nnz h LEU 117 Cb 1.21 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 2nnz h LEU 117 CO 0.64 -0.21 1.10 0.07 -0.34 0.00 0.00 178.44 179.71 2nnz h LYS 118 N 0.19 0.00 -1.27 1.25 5.09 -1.90 0.38 116.57 120.31 2nnz h LYS 118 Ca 0.78 0.00 -0.28 0.00 0.09 0.00 0.00 60.65 61.24 2nnz h LYS 118 Cb 2.06 0.00 -0.14 0.00 0.10 0.00 0.00 32.23 34.25 2nnz h LYS 118 CO -0.57 0.00 0.36 0.41 -2.09 0.00 0.00 179.45 177.55 2nnz n GLY 119 N -1.70 3.61 3.85 0.07 0.00 0.52 -4.32 105.19 107.22 2nnz n GLY 119 Ca 0.23 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.88 4.57 0.44 1.61 -7.23 0.13 -5.05 120.40 113.00 2nnz s VAL 120 Ca 0.28 1.12 -0.23 0.00 -1.81 0.00 0.00 61.98 61.35 2nnz s VAL 120 Cb 0.23 -3.70 -0.08 0.00 0.56 0.00 0.00 36.38 33.38 2nnz s VAL 120 CO 0.02 -0.59 1.08 0.00 -0.31 0.00 0.00 175.10 175.30 2nnz s ALA 121 N -2.49 2.99 0.25 1.32 0.00 -1.26 -4.95 121.76 117.61 2nnz s ALA 121 Ca 0.58 0.73 -0.31 0.00 0.00 0.00 0.00 51.96 52.96 2nnz s ALA 121 Cb -0.10 -3.30 -0.14 0.00 0.00 0.00 0.00 23.12 19.59 2nnz s ALA 121 CO 0.28 -0.36 1.31 -0.40 0.00 0.00 0.00 175.76 176.60 2nnz n ASP 122 N -0.45 2.38 -2.72 0.00 5.68 -1.26 -4.28 116.55 115.90 2nnz n ASP 122 Ca 0.07 1.15 -0.04 0.00 -0.50 0.00 0.00 54.79 55.47 2nnz n ASP 122 Cb 0.50 -1.39 -0.04 0.00 -1.14 0.00 0.00 41.12 39.06 2nnz n ASP 122 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2nnz n GLY 123 N 1.87 -4.06 3.13 6.12 0.00 -1.26 -4.99 105.19 106.00 2nnz n GLY 123 Ca 0.11 1.38 -0.10 0.00 0.00 0.00 0.00 46.02 47.40 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 -0.57 0.59 0.80 1.61 0.41 -1.23 -5.01 118.70 115.30 2nnz s GLU 124 Ca -0.22 -0.60 -0.12 0.00 -0.41 0.00 0.00 54.97 53.62 2nnz s GLU 124 Cb 0.01 0.24 0.08 0.00 -1.78 0.00 0.00 34.13 32.68 2nnz s GLU 124 CO 0.62 -0.15 1.15 -1.12 -0.49 0.00 0.00 175.26 175.27 2nnz s SER 125 N -1.88 3.85 -0.13 -0.19 0.01 -1.26 -0.81 113.70 113.28 2nnz s SER 125 Ca -0.08 2.15 -0.07 0.00 1.31 0.00 0.00 55.95 59.26 2nnz s SER 125 Cb -0.03 -2.56 0.05 0.00 0.21 0.00 0.00 66.02 63.69 2nnz s SER 125 CO -0.02 -2.48 0.31 -0.69 0.41 0.00 0.00 173.24 170.76 2nnz s VAL 126 N -2.47 -0.08 -0.27 3.43 1.01 0.29 -4.47 120.40 117.84 2nnz s VAL 126 Ca 0.68 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.81 2nnz s VAL 126 Cb -0.23 -0.48 0.07 0.00 0.00 0.00 0.00 36.38 35.74 2nnz s VAL 126 CO 0.52 0.06 -0.03 0.68 0.00 0.00 0.00 175.10 176.33 2nnz s VAL 127 N 1.43 1.71 -0.05 2.92 -7.23 -1.25 0.15 120.40 118.09 2nnz s VAL 127 Ca -0.09 -1.52 -0.28 0.00 -1.81 0.00 0.00 61.98 58.29 2nnz s VAL 127 Cb -0.10 -2.03 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 2nnz s VAL 127 CO -0.10 -0.24 0.89 -0.69 -0.31 0.00 0.00 175.10 174.64 2nnz s VAL 128 N 1.27 4.92 -0.17 1.32 1.01 -0.81 -3.80 120.40 124.14 2nnz s VAL 128 Ca -0.02 1.84 -0.08 0.00 0.00 0.00 0.00 61.98 63.71 2nnz s VAL 128 Cb -0.19 -4.22 0.06 0.00 0.00 0.00 0.00 36.38 32.03 2nnz s VAL 128 CO -0.08 0.16 0.39 -1.83 0.00 0.00 0.00 175.10 173.74 2nnz s GLU 129 N 1.15 0.36 -0.95 2.72 -1.05 -0.83 -1.30 118.70 118.80 2nnz s GLU 129 Ca 0.46 0.80 -0.24 0.00 -0.15 0.00 0.00 54.97 55.84 2nnz s GLU 129 Cb -0.19 0.01 0.01 0.00 -0.44 0.00 0.00 34.13 33.52 2nnz s GLU 129 CO 0.23 -0.18 1.63 0.50 0.95 0.00 0.00 175.26 178.39 2nnz s ARG 130 N 1.60 3.17 0.00 -4.83 3.00 -1.26 0.83 118.95 121.45 2nnz s ARG 130 Ca -0.08 -0.72 0.00 0.00 -1.00 0.00 0.00 55.73 53.93 2nnz s ARG 130 Cb -0.09 -5.16 0.00 0.00 0.00 0.00 0.00 34.95 29.70 2nnz s ARG 130 CO -0.12 -2.64 0.00 0.00 0.00 0.00 0.00 175.30 172.54