#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 1.82 0.00 3.03 0.00 -1.26 -5.13 105.19 103.66 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 -0.80 1.30 -1.46 1.61 1.02 -1.26 -4.16 120.64 116.89 2nnz n GLU 3 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 2nnz n GLU 3 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 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 -1.21 0.00 3.49 5.12 -1.26 -4.44 116.66 118.36 2nnz n ARG 4 Ca 0.00 1.05 0.00 0.00 -1.93 0.00 0.00 57.85 56.97 2nnz n ARG 4 Cb 0.00 -5.27 0.00 0.00 -1.16 0.00 0.00 32.46 26.03 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 -0.82 0.17 2.48 -0.13 0.00 -1.26 -4.98 105.19 100.65 2nnz n GLY 5 Ca -0.16 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.25 4.14 -2.27 1.61 3.14 -1.26 -3.89 118.33 118.54 2nnz n VAL 6 Ca 0.00 -3.54 -0.02 0.00 -2.96 0.00 0.00 64.34 57.82 2nnz n VAL 6 Cb 0.00 -1.80 0.03 0.00 -1.06 0.00 0.00 33.84 31.01 2nnz n VAL 6 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2nnz n GLU 7 N 1.25 0.38 -3.30 1.45 -0.00 -1.00 -4.75 120.64 114.67 2nnz n GLU 7 Ca 0.54 -0.49 -0.47 0.00 -0.00 0.00 0.00 57.16 56.75 2nnz n GLU 7 Cb 0.43 0.30 -0.02 0.00 -0.00 0.00 0.00 31.44 32.14 2nnz n GLU 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 2nnz s MET 8 N 0.04 3.60 0.27 3.44 1.75 -1.20 -4.83 119.30 122.37 2nnz s MET 8 Ca 0.03 -2.41 -0.21 0.00 -1.25 0.00 0.00 55.69 51.85 2nnz s MET 8 Cb 0.13 -4.47 -0.09 0.00 2.84 0.00 0.00 34.83 33.24 2nnz s MET 8 CO -0.04 -1.33 0.79 -0.98 -0.65 0.00 0.00 175.02 172.81 2nnz s ARG 9 N 0.36 4.30 0.33 4.11 1.04 -1.26 -3.25 118.95 124.58 2nnz s ARG 9 Ca 0.19 0.96 0.10 0.00 -1.04 0.00 0.00 55.73 55.94 2nnz s ARG 9 Cb -0.10 -2.77 -0.06 0.00 -2.04 0.00 0.00 34.95 29.99 2nnz s ARG 9 CO -0.09 0.32 -0.08 -0.48 -0.04 0.00 0.00 175.30 174.93 2nnz s LEU 10 N -2.18 2.79 -0.02 -1.89 2.34 -0.03 -4.40 118.68 115.28 2nnz s LEU 10 Ca 0.47 -1.10 -0.00 0.00 0.06 0.00 0.00 54.13 53.56 2nnz s LEU 10 Cb -0.16 -1.13 -0.04 0.00 -0.56 0.00 0.00 46.19 44.31 2nnz s LEU 10 CO 0.21 -0.17 0.04 -0.60 -1.06 0.00 0.00 176.35 174.77 2nnz s ARG 11 N -3.62 2.96 -0.29 1.48 3.00 0.27 -2.79 118.95 119.96 2nnz s ARG 11 Ca 0.33 -0.51 -0.02 0.00 -1.00 0.00 0.00 55.73 54.53 2nnz s ARG 11 Cb 0.00 -2.79 0.12 0.00 0.00 0.00 0.00 34.95 32.29 2nnz s ARG 11 CO 0.17 0.65 0.25 0.42 0.00 0.00 0.00 175.30 176.79 2nnz s ILE 12 N -1.10 -0.31 0.17 4.11 1.01 -1.19 -1.49 121.20 122.41 2nnz s ILE 12 Ca 0.20 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.33 2nnz s ILE 12 Cb -0.12 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 2nnz s ILE 12 CO 0.10 -0.53 0.29 0.00 0.00 0.00 0.00 174.94 174.80 2nnz s ARG 13 N 2.29 3.40 0.01 2.79 1.70 -1.25 -2.79 118.95 125.10 2nnz s ARG 13 Ca 0.09 -0.65 0.02 0.00 -0.47 0.00 0.00 55.73 54.72 2nnz s ARG 13 Cb -0.15 -2.93 -0.01 0.00 -0.57 0.00 0.00 34.95 31.30 2nnz s ARG 13 CO -0.33 0.50 -0.08 -0.06 -1.08 0.00 0.00 175.30 174.25 2nnz s PHE 14 N -1.80 0.68 0.56 5.89 0.40 0.69 -3.79 117.98 120.60 2nnz s PHE 14 Ca 0.34 -0.22 0.44 0.00 -0.60 0.00 0.00 56.93 56.90 2nnz s PHE 14 Cb -0.11 -0.42 1.64 0.00 0.51 0.00 0.00 43.02 44.64 2nnz s PHE 14 CO 0.28 -0.02 1.65 0.93 0.70 0.00 0.00 175.22 178.77 2nnz h GLU 15 N 5.57 0.00 0.00 0.44 3.07 -1.94 0.18 114.58 121.89 2nnz h GLU 15 Ca -0.31 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.54 2nnz h GLU 15 Cb 1.19 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.09 2nnz h GLU 15 CO 0.47 0.00 -0.20 0.43 -1.40 0.00 0.00 179.01 178.31 2nnz n SER 16 N -3.99 1.61 -3.64 1.42 7.64 -1.26 -5.07 113.62 110.32 2nnz n SER 16 Ca 0.36 -2.80 -0.02 0.00 1.01 0.00 0.00 58.87 57.42 2nnz n SER 16 Cb 1.70 -0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 64.50 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 -2.01 -2.16 -0.03 -0.43 0.00 0.62 -4.98 121.76 112.76 2nnz s ALA 17 Ca 0.23 1.89 -0.14 0.00 0.00 0.00 0.00 51.96 53.95 2nnz s ALA 17 Cb 0.21 -0.85 0.02 0.00 0.00 0.00 0.00 23.12 22.50 2nnz s ALA 17 CO 0.01 -0.42 0.31 -1.83 0.00 0.00 0.00 175.76 173.82 2nnz s GLU 18 N -1.64 0.63 -0.09 0.00 -1.05 -1.26 0.25 118.70 115.53 2nnz s GLU 18 Ca 0.11 -0.13 -0.31 0.00 -0.15 0.00 0.00 54.97 54.49 2nnz s GLU 18 Cb -0.01 0.28 0.09 0.00 -0.44 0.00 0.00 34.13 34.06 2nnz s GLU 18 CO -0.05 -0.17 0.81 0.00 0.95 0.00 0.00 175.26 176.81 2nnz s GLU 20 N -1.17 2.75 -0.10 0.00 2.02 -1.23 -3.14 118.70 117.84 2nnz s GLU 20 Ca -0.07 -1.01 -0.09 0.00 0.02 0.00 0.00 54.97 53.82 2nnz s GLU 20 Cb -0.00 -2.52 0.03 0.00 0.10 0.00 0.00 34.13 31.73 2nnz s GLU 20 CO 0.06 0.45 0.26 0.54 0.02 0.00 0.00 175.26 176.59 2nnz s VAL 21 N -1.89 0.00 0.66 2.63 0.11 -1.12 -3.67 120.40 117.13 2nnz s VAL 21 Ca 0.31 -0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 59.33 2nnz s VAL 21 Cb -0.09 -0.37 0.13 0.00 -1.53 0.00 0.00 36.38 34.52 2nnz s VAL 21 CO 0.22 -0.01 0.91 -0.62 -3.33 0.00 0.00 175.10 172.28 2nnz n GLU 22 N 2.91 -0.16 -3.76 1.54 1.02 -0.76 -0.85 120.64 120.59 2nnz n GLU 22 Ca -0.13 -2.30 -0.12 0.00 -0.02 0.00 0.00 57.16 54.58 2nnz n GLU 22 Cb 0.58 -0.66 -0.12 0.00 -0.02 0.00 0.00 31.44 31.23 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 0.70 -0.01 -4.62 2.96 -1.20 -3.78 118.68 112.72 2nnz s LEU 23 Ca 0.59 0.58 0.07 0.00 -0.22 0.00 0.00 54.13 55.15 2nnz s LEU 23 Cb -0.03 0.93 -0.02 0.00 0.50 0.00 0.00 46.19 47.56 2nnz s LEU 23 CO 0.39 -0.12 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.75 2nnz s TYR 24 N 0.58 2.40 -1.08 5.38 2.02 -1.26 -2.38 117.35 123.00 2nnz s TYR 24 Ca -0.04 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 2nnz s TYR 24 Cb -0.05 -1.50 0.00 0.00 -0.40 0.00 0.00 41.96 40.01 2nnz s TYR 24 CO -0.03 0.04 0.94 0.39 -1.57 0.00 0.00 175.55 175.31 2nnz n GLU 25 N 2.26 0.00 -0.38 -0.62 1.02 -1.26 -3.15 120.64 118.51 2nnz n GLU 25 Ca -0.16 0.44 0.38 0.00 -0.02 0.00 0.00 57.16 57.80 2nnz n GLU 25 Cb 0.51 -1.51 0.73 0.00 -0.02 0.00 0.00 31.44 31.16 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 0.06 3.49 4.11 -1.94 0.12 114.58 120.42 2nnz h GLU 26 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2nnz h GLU 26 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2nnz h GLU 26 CO 0.00 0.00 -0.03 2.35 0.07 0.00 0.00 179.01 181.40 2nnz h TRP 27 N 0.00 -0.07 0.00 2.06 -0.00 -1.85 -3.46 115.95 112.63 2nnz h TRP 27 Ca 0.63 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.51 2nnz h TRP 27 Cb 2.66 0.02 0.00 0.00 -0.00 0.00 0.00 29.16 31.84 2nnz h TRP 27 CO 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 178.44 178.70 2nnz n ALA 28 N -2.70 0.00 -0.38 2.65 0.00 0.42 -4.76 120.51 115.74 2nnz n ALA 28 Ca -0.04 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.73 2nnz n ALA 28 Cb 0.18 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.29 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 0.14 0.13 0.00 0.13 -1.94 -0.90 132.00 129.57 2nnz h PRO 29 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2nnz h PRO 29 Cb 0.00 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.09 2nnz h PRO 29 CO 0.00 0.09 -0.13 1.49 -0.23 0.00 0.00 178.00 179.22 2nnz h GLU 30 N 0.15 -0.28 -0.36 0.86 4.22 -1.95 -2.86 114.58 114.36 2nnz h GLU 30 Ca 0.66 0.02 -0.06 0.00 0.08 0.00 0.00 59.36 60.06 2nnz h GLU 30 Cb 2.22 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.52 2nnz h GLU 30 CO -0.19 -0.18 -0.01 1.79 -2.18 0.00 0.00 179.01 178.24 2nnz h THR 31 N -0.29 1.26 -1.43 0.32 1.35 -1.56 -2.79 112.91 109.77 2nnz h THR 31 Ca 0.00 -1.00 0.42 0.00 -0.55 0.00 0.00 66.41 65.29 2nnz h THR 31 Cb 0.27 1.20 -0.08 0.00 -1.73 0.00 0.00 68.15 67.81 2nnz h THR 31 CO -0.03 0.33 1.00 0.58 -0.25 0.00 0.00 175.52 177.15 2nnz h VAL 32 N 0.45 0.24 -0.60 6.82 2.07 -1.29 0.77 116.25 124.70 2nnz h VAL 32 Ca 0.10 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.54 2nnz h VAL 32 Cb 0.47 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 2nnz h VAL 32 CO 0.02 0.01 0.12 -0.09 0.02 0.00 0.00 177.57 177.65 2nnz h ARG 33 N 0.06 0.96 -0.18 1.57 2.43 -1.27 -2.45 114.38 115.50 2nnz h ARG 33 Ca 0.73 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.66 2nnz h ARG 33 Cb 2.70 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 32.11 2nnz h ARG 33 CO -0.12 0.87 0.06 0.00 -1.51 0.00 0.00 179.97 179.27 2nnz h ALA 34 N 1.21 0.23 -0.05 2.80 0.00 0.45 0.11 119.26 124.02 2nnz h ALA 34 Ca 0.19 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2nnz h ALA 34 Cb 0.37 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2nnz h ALA 34 CO 0.00 -0.15 -0.15 0.82 0.00 0.00 0.00 179.25 179.78 2nnz h ILE 35 N 0.12 0.63 0.00 0.00 1.08 -1.40 0.00 117.51 117.93 2nnz h ILE 35 Ca 0.06 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.50 2nnz h ILE 35 Cb 0.22 0.63 -0.00 0.00 -3.07 0.00 0.00 36.82 34.59 2nnz h ILE 35 CO -0.00 0.00 -0.12 0.00 -0.69 0.00 0.00 178.15 177.34 2nnz h ALA 36 N 0.77 1.55 0.00 1.87 0.00 -1.35 -0.86 119.26 121.23 2nnz h ALA 36 Ca 0.07 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2nnz h ALA 36 Cb 0.31 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2nnz h ALA 36 CO -0.18 0.15 -0.33 0.22 0.00 0.00 0.00 179.25 179.11 2nnz h ASP 37 N 0.00 0.00 -1.77 0.00 1.82 0.98 -3.24 116.42 114.20 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 0.25 0.00 -0.24 0.00 0.68 0.00 0.00 39.33 40.01 2nnz h ASP 37 CO 0.02 0.33 0.93 0.00 -1.61 0.00 0.00 179.24 178.90 2nnz n ALA 38 N -2.27 6.49 -1.00 -0.78 0.00 -0.21 -5.00 120.51 117.75 2nnz n ALA 38 Ca -0.00 -3.89 0.00 0.00 0.00 0.00 0.00 53.44 49.55 2nnz n ALA 38 Cb 0.49 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 -0.13 0.00 -1.98 0.00 4.77 -1.23 -4.52 117.00 113.91 2nnz n LEU 39 Ca 0.53 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 56.29 2nnz n LEU 39 Cb 0.31 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 2nnz n LEU 39 CO 0.47 -0.46 0.92 -2.65 -1.33 0.00 0.00 177.39 174.34 2nnz n PRO 40 N -0.01 0.00 -3.85 3.23 -0.02 -0.35 -4.50 135.00 129.50 2nnz n PRO 40 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.37 2nnz n PRO 40 Cb 0.00 -0.67 -0.09 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 3.57 0.09 0.07 4.25 1.01 -0.37 -4.96 121.20 124.87 2nnz s ILE 41 Ca 0.58 -0.72 -0.24 0.00 0.00 0.00 0.00 60.65 60.28 2nnz s ILE 41 Cb -0.60 -0.57 -0.06 0.00 0.01 0.00 0.00 42.46 41.24 2nnz s ILE 41 CO 0.25 -0.39 0.72 -0.54 0.00 0.00 0.00 174.94 174.97 2nnz s LYS 42 N -1.65 4.45 -0.01 2.79 1.02 -1.26 -1.96 119.74 123.12 2nnz s LYS 42 Ca -0.12 1.00 -0.08 0.00 0.02 0.00 0.00 55.97 56.79 2nnz s LYS 42 Cb -0.06 -3.32 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 2nnz s LYS 42 CO 0.01 0.41 0.15 -1.54 -0.92 0.00 0.00 175.35 173.47 2nnz s SER 43 N -0.49 -0.01 -0.21 2.83 1.04 0.34 -4.89 113.70 112.31 2nnz s SER 43 Ca 0.36 -0.13 -0.09 0.00 0.48 0.00 0.00 55.95 56.57 2nnz s SER 43 Cb -0.21 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 2nnz s SER 43 CO 0.22 -0.34 0.11 -0.89 0.98 0.00 0.00 173.24 173.32 2nnz s THR 44 N -1.23 5.06 0.04 2.02 2.01 -1.26 0.05 115.64 122.33 2nnz s THR 44 Ca -0.13 0.07 -0.22 0.00 0.31 0.00 0.00 61.69 61.72 2nnz s THR 44 Cb -0.07 -3.32 -0.06 0.00 0.01 0.00 0.00 72.50 69.06 2nnz s THR 44 CO 0.02 0.40 0.67 0.00 -0.69 0.00 0.00 174.62 175.02 2nnz s ALA 45 N 0.74 3.46 -0.21 7.40 0.00 -0.76 -4.34 121.76 128.05 2nnz s ALA 45 Ca 0.06 0.15 -0.05 0.00 0.00 0.00 0.00 51.96 52.11 2nnz s ALA 45 Cb -0.13 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 2nnz s ALA 45 CO 0.02 0.18 0.01 -0.80 0.00 0.00 0.00 175.76 175.17 2nnz s ASN 46 N -0.39 4.84 0.18 0.00 0.01 -1.22 -3.54 114.94 114.82 2nnz s ASN 46 Ca 0.34 -0.22 -0.28 0.00 -0.71 0.00 0.00 52.86 51.98 2nnz s ASN 46 Cb -0.20 -1.84 -0.08 0.00 0.41 0.00 0.00 41.25 39.55 2nnz s ASN 46 CO 0.20 0.03 0.89 -0.13 -1.51 0.00 0.00 177.10 176.58 2nnz s ARG 47 N 1.20 4.72 -0.05 -0.60 1.81 -1.26 -3.63 118.95 121.15 2nnz s ARG 47 Ca 0.03 1.37 -0.21 0.00 -1.72 0.00 0.00 55.73 55.20 2nnz s ARG 47 Cb -0.15 -3.31 0.04 0.00 -0.45 0.00 0.00 34.95 31.09 2nnz s ARG 47 CO 0.01 0.44 0.47 -0.46 -0.68 0.00 0.00 175.30 175.08 2nnz s TRP 48 N -0.80 -0.40 -0.70 -0.53 -0.11 -0.44 -4.98 118.94 110.98 2nnz s TRP 48 Ca 0.41 0.70 -0.13 0.00 1.22 0.00 0.00 56.10 58.29 2nnz s TRP 48 Cb -0.24 0.22 -0.20 0.00 -1.50 0.00 0.00 33.47 31.75 2nnz s TRP 48 CO 0.29 -0.46 1.68 0.41 -4.62 0.00 0.00 176.95 174.26 2nnz n GLY 49 N 1.30 -0.35 2.22 5.86 0.00 -1.26 0.14 105.19 113.10 2nnz n GLY 49 Ca -0.20 0.36 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 5.44 -3.63 -3.94 1.61 8.00 -1.26 -3.92 116.55 118.84 2nnz n ASP 50 Ca 0.47 0.25 -0.16 0.00 0.71 0.00 0.00 54.79 56.06 2nnz n ASP 50 Cb 0.06 -3.23 -0.15 0.00 -0.02 0.00 0.00 41.12 37.79 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 -4.12 0.42 -0.06 -1.24 -6.30 0.37 -4.16 118.70 103.61 2nnz s GLU 51 Ca 0.00 -0.16 -0.02 0.00 -2.50 0.00 0.00 54.97 52.30 2nnz s GLU 51 Cb 0.00 -0.42 0.03 0.00 0.00 0.00 0.00 34.13 33.74 2nnz s GLU 51 CO 0.00 0.08 0.03 -1.50 0.02 0.00 0.00 175.26 173.89 2nnz s ILE 52 N -0.00 0.18 -0.08 -3.70 1.10 -1.26 -1.33 121.20 116.11 2nnz s ILE 52 Ca 0.00 0.24 0.02 0.00 -0.51 0.00 0.00 60.65 60.40 2nnz s ILE 52 Cb -0.03 -0.38 0.02 0.00 0.15 0.00 0.00 42.46 42.21 2nnz s ILE 52 CO -0.00 0.23 -0.11 -0.72 -2.11 0.00 0.00 174.94 172.22 2nnz s TYR 53 N 2.05 1.53 0.02 3.50 -0.85 -1.24 -2.86 117.35 119.51 2nnz s TYR 53 Ca 0.05 -0.64 0.02 0.00 -0.52 0.00 0.00 57.07 55.98 2nnz s TYR 53 Cb -0.12 -1.15 -0.02 0.00 0.38 0.00 0.00 41.96 41.05 2nnz s TYR 53 CO -0.04 -0.36 -0.07 -0.59 -1.52 0.00 0.00 175.55 172.96 2nnz s PHE 54 N 0.96 0.64 0.22 -3.49 -0.12 -1.21 -3.43 117.98 111.56 2nnz s PHE 54 Ca -0.09 -0.33 -0.10 0.00 -0.05 0.00 0.00 56.93 56.36 2nnz s PHE 54 Cb -0.15 -0.39 -0.07 0.00 -0.63 0.00 0.00 43.02 41.78 2nnz s PHE 54 CO 0.00 -0.05 0.54 0.99 -0.05 0.00 0.00 175.22 176.66 2nnz s THR 55 N -0.87 4.93 0.00 -4.49 2.01 -1.26 -3.71 115.64 112.25 2nnz s THR 55 Ca -0.05 0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.44 2nnz s THR 55 Cb -0.07 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.82 2nnz s THR 55 CO 0.00 -0.05 0.84 0.35 -0.69 0.00 0.00 174.62 175.08 2nnz n THR 56 N -0.06 0.70 -0.10 -0.82 -2.24 -1.26 -4.36 114.28 106.14 2nnz n THR 56 Ca 0.00 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 2nnz n THR 56 Cb 0.52 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 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 -0.35 0.00 -2.90 -0.78 6.02 -1.26 -4.98 117.38 113.12 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 0.23 -1.35 -0.05 0.00 1.02 0.00 0.00 30.24 30.09 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 -2.93 4.67 -0.58 5.09 0.11 -1.26 -5.00 120.40 120.50 2nnz s VAL 58 Ca 0.00 0.95 -0.07 0.00 -2.93 0.00 0.00 61.98 59.93 2nnz s VAL 58 Cb 0.00 -4.26 0.15 0.00 -1.53 0.00 0.00 36.38 30.74 2nnz s VAL 58 CO 0.00 -0.49 0.44 0.00 -3.33 0.00 0.00 175.10 171.71 2nnz s ALA 59 N 3.25 3.56 -0.27 1.54 0.00 -1.26 -4.83 121.76 123.74 2nnz s ALA 59 Ca 0.34 -2.93 0.02 0.00 0.00 0.00 0.00 51.96 49.39 2nnz s ALA 59 Cb -0.13 -2.85 0.07 0.00 0.00 0.00 0.00 23.12 20.22 2nnz s ALA 59 CO 0.18 -2.03 -0.04 0.54 0.00 0.00 0.00 175.76 174.42 2nnz s VAL 60 N 0.64 1.89 -0.17 0.00 0.11 -1.26 -5.10 120.40 116.50 2nnz s VAL 60 Ca 0.12 -1.66 -0.02 0.00 -2.93 0.00 0.00 61.98 57.49 2nnz s VAL 60 Cb -0.21 -2.17 -0.01 0.00 -1.53 0.00 0.00 36.38 32.46 2nnz s VAL 60 CO -0.03 -0.24 -0.09 -1.61 -3.33 0.00 0.00 175.10 169.80 2nnz s GLU 61 N 1.19 3.39 0.13 1.54 8.01 -1.26 -4.79 118.70 126.92 2nnz s GLU 61 Ca -0.02 -0.65 -0.02 0.00 0.01 0.00 0.00 54.97 54.30 2nnz s GLU 61 Cb -0.19 -2.82 -0.04 0.00 -4.31 0.00 0.00 34.13 26.77 2nnz s GLU 61 CO -0.08 0.02 0.08 0.21 0.01 0.00 0.00 175.26 175.51 2nnz s LYS 62 N 0.87 0.95 -0.59 1.61 2.20 -1.26 -5.12 119.74 118.40 2nnz s LYS 62 Ca -0.02 -1.41 -0.02 0.00 -0.36 0.00 0.00 55.97 54.16 2nnz s LYS 62 Cb -0.15 0.26 0.15 0.00 -1.51 0.00 0.00 37.83 36.58 2nnz s LYS 62 CO 0.01 -0.28 0.39 -1.83 -0.36 0.00 0.00 175.35 173.27 2nnz s GLU 63 N -4.04 2.41 -0.11 4.03 1.03 -1.26 -5.00 118.70 115.77 2nnz s GLU 63 Ca 0.23 -2.48 -0.31 0.00 0.03 0.00 0.00 54.97 52.44 2nnz s GLU 63 Cb 0.07 -3.65 0.12 0.00 -0.80 0.00 0.00 34.13 29.88 2nnz s GLU 63 CO 0.02 -1.15 1.03 -2.00 -1.33 0.00 0.00 175.26 171.82 2nnz s GLU 64 N 0.01 0.58 0.31 -4.83 2.12 -1.26 -5.04 118.70 110.59 2nnz s GLU 64 Ca 0.16 -0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.37 2nnz s GLU 64 Cb -0.21 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.45 2nnz s GLU 64 CO -0.03 -0.24 0.00 -1.71 -0.54 0.00 0.00 175.26 172.74 2nnz n ASN 65 N 0.08 0.00 -2.41 -1.70 2.85 -1.26 -4.85 115.26 107.96 2nnz n ASN 65 Ca -0.06 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.22 2nnz n ASN 65 Cb 0.60 0.00 0.02 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 2.12 -3.38 -4.91 1.20 7.64 -1.26 -4.94 113.62 110.08 2nnz n SER 66 Ca 0.00 -0.03 -0.26 0.00 1.01 0.00 0.00 58.87 59.59 2nnz n SER 66 Cb 0.00 -0.94 -0.04 0.00 -1.01 0.00 0.00 64.21 62.22 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 -1.28 3.30 0.00 1.43 0.00 0.15 -4.48 119.74 118.87 2nnz s LYS 67 Ca 0.18 -0.67 0.00 0.00 0.00 0.00 0.00 55.97 55.49 2nnz s LYS 67 Cb -0.02 -2.89 -0.00 0.00 0.00 0.00 0.00 37.83 34.93 2nnz s LYS 67 CO 0.41 0.51 0.27 -0.40 0.00 0.00 0.00 175.35 176.15 2nnz n ASP 68 N -0.49 0.54 -4.17 0.03 5.68 -1.26 0.29 116.55 117.16 2nnz n ASP 68 Ca -0.07 -0.77 -0.25 0.00 -0.50 0.00 0.00 54.79 53.20 2nnz n ASP 68 Cb 0.54 0.47 -0.15 0.00 -1.14 0.00 0.00 41.12 40.84 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 -0.50 1.41 0.10 2.12 0.11 -1.26 -4.36 120.40 118.02 2nnz s VAL 69 Ca 0.00 -0.79 -0.23 0.00 -2.93 0.00 0.00 61.98 58.03 2nnz s VAL 69 Cb 0.00 -1.18 0.06 0.00 -1.53 0.00 0.00 36.38 33.73 2nnz s VAL 69 CO 0.01 0.37 0.57 0.68 -3.33 0.00 0.00 175.10 173.40 2nnz s VAL 70 N -0.45 0.02 0.13 2.04 -7.23 -1.26 -5.10 120.40 108.53 2nnz s VAL 70 Ca 0.07 -0.13 -0.04 0.00 -1.81 0.00 0.00 61.98 60.07 2nnz s VAL 70 Cb -0.07 -1.01 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 2nnz s VAL 70 CO -0.00 -0.07 0.35 -1.61 -0.31 0.00 0.00 175.10 173.46 2nnz s GLU 71 N -3.03 3.60 -0.11 4.82 2.02 -1.26 -4.89 118.70 119.85 2nnz s GLU 71 Ca -0.02 -0.12 -0.40 0.00 0.02 0.00 0.00 54.97 54.44 2nnz s GLU 71 Cb -0.00 -2.88 -0.19 0.00 0.10 0.00 0.00 34.13 31.16 2nnz s GLU 71 CO -0.06 0.49 1.33 -0.11 0.02 0.00 0.00 175.26 176.93 2nnz n LEU 72 N 0.16 0.99 0.00 1.80 7.94 -1.26 -2.37 117.00 124.25 2nnz n LEU 72 Ca -0.03 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.01 2nnz n LEU 72 Cb 0.52 -1.01 0.00 0.00 0.53 0.00 0.00 43.42 43.45 2nnz n LEU 72 CO 0.49 -1.28 0.00 0.61 -1.11 0.00 0.00 177.39 176.10 2nnz n GLY 73 N 2.61 1.18 3.86 -3.96 0.00 -1.26 -5.10 105.19 102.52 2nnz n GLY 73 Ca 0.23 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.42 6.46 0.15 1.61 1.47 -1.00 -3.03 116.67 121.93 2nnz s ASP 74 Ca 0.00 1.47 0.09 0.00 1.18 0.00 0.00 52.55 55.29 2nnz s ASP 74 Cb 0.00 -2.47 -0.04 0.00 -0.34 0.00 0.00 42.92 40.06 2nnz s ASP 74 CO 0.00 -0.68 -0.16 -0.69 0.68 0.00 0.00 175.17 174.32 2nnz s VAL 75 N -2.81 2.87 -0.01 2.11 1.01 0.16 -4.46 120.40 119.27 2nnz s VAL 75 Ca 0.57 -1.66 -0.18 0.00 0.00 0.00 0.00 61.98 60.70 2nnz s VAL 75 Cb -0.10 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 33.94 2nnz s VAL 75 CO 0.40 -0.02 0.39 0.00 0.00 0.00 0.00 175.10 175.87 2nnz s ALA 76 N -1.45 -0.99 -0.14 5.51 0.00 -1.25 -2.47 121.76 120.98 2nnz s ALA 76 Ca 0.21 0.48 -0.04 0.00 0.00 0.00 0.00 51.96 52.60 2nnz s ALA 76 Cb -0.09 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 2nnz s ALA 76 CO 0.12 -0.32 0.00 1.52 0.00 0.00 0.00 175.76 177.08 2nnz s TYR 77 N -1.57 3.13 -0.06 0.00 -0.85 0.64 -2.57 117.35 116.06 2nnz s TYR 77 Ca -0.11 -0.06 -0.30 0.00 -0.52 0.00 0.00 57.07 56.08 2nnz s TYR 77 Cb -0.03 -1.95 -0.05 0.00 0.38 0.00 0.00 41.96 40.31 2nnz s TYR 77 CO 0.04 0.15 1.57 -0.46 -1.52 0.00 0.00 175.55 175.33 2nnz s TRP 78 N 0.03 2.22 -0.00 -3.49 -0.11 0.33 -1.85 118.94 116.07 2nnz s TRP 78 Ca 0.02 0.39 -0.03 0.00 1.22 0.00 0.00 56.10 57.70 2nnz s TRP 78 Cb -0.13 -3.83 -0.02 0.00 -1.50 0.00 0.00 33.47 28.00 2nnz s TRP 78 CO 0.02 -3.38 0.54 0.82 -4.62 0.00 0.00 176.95 170.33 2nnz h ILE 79 N 5.45 0.00 -0.13 5.86 2.04 -1.83 -2.48 117.51 126.42 2nnz h ILE 79 Ca -0.37 -0.08 -0.33 0.00 1.00 0.00 0.00 64.86 65.08 2nnz h ILE 79 Cb 1.17 0.00 0.04 0.00 -0.74 0.00 0.00 36.82 37.29 2nnz h ILE 79 CO 0.95 0.00 0.94 -0.81 0.00 0.00 0.00 178.15 179.23 2nnz n PRO 80 N -2.50 0.59 0.00 2.37 -0.04 -1.26 -1.12 135.00 133.03 2nnz n PRO 80 Ca -0.01 -1.70 0.00 0.00 -0.04 0.00 0.00 63.50 61.75 2nnz n PRO 80 Cb 0.04 -3.36 0.00 0.00 -0.04 0.00 0.00 33.50 30.14 2nnz n PRO 80 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nnz n GLY 81 N 5.52 0.38 2.77 0.55 0.00 -1.26 -4.89 105.19 108.26 2nnz n GLY 81 Ca 0.45 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.29 2nnz n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nnz n LYS 82 N 0.00 -2.88 -4.41 1.61 4.01 -0.28 -4.95 118.16 111.26 2nnz n LYS 82 Ca 0.00 0.65 -0.34 0.00 -0.51 0.00 0.00 58.31 58.11 2nnz n LYS 82 Cb 0.00 -5.32 -0.12 0.00 -0.51 0.00 0.00 35.03 29.08 2nnz n LYS 82 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2nnz s ALA 83 N -2.82 3.02 0.17 7.82 0.00 -1.02 -4.64 121.76 124.29 2nnz s ALA 83 Ca 0.15 -0.82 -0.17 0.00 0.00 0.00 0.00 51.96 51.12 2nnz s ALA 83 Cb -0.08 -1.54 -0.07 0.00 0.00 0.00 0.00 23.12 21.43 2nnz s ALA 83 CO 0.19 0.26 0.63 0.42 0.00 0.00 0.00 175.76 177.25 2nnz s ILE 84 N 0.23 4.72 -0.02 0.00 1.01 -1.24 0.12 121.20 126.02 2nnz s ILE 84 Ca -0.02 1.07 0.01 0.00 0.00 0.00 0.00 60.65 61.70 2nnz s ILE 84 Cb -0.14 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.54 2nnz s ILE 84 CO 0.03 0.26 -0.02 0.00 0.00 0.00 0.00 174.94 175.20 2nnz s LEU 86 N 0.49 3.64 -0.10 0.00 1.43 -1.13 -3.77 118.68 119.24 2nnz s LEU 86 Ca -0.05 1.02 -0.02 0.00 -1.03 0.00 0.00 54.13 54.04 2nnz s LEU 86 Cb -0.08 -3.96 0.04 0.00 0.03 0.00 0.00 46.19 42.21 2nnz s LEU 86 CO -0.01 -0.56 0.03 -0.36 0.23 0.00 0.00 176.35 175.68 2nnz s PHE 87 N -2.69 0.57 -0.39 0.29 0.08 -1.26 -4.30 117.98 110.28 2nnz s PHE 87 Ca 0.49 -0.23 0.07 0.00 0.12 0.00 0.00 56.93 57.38 2nnz s PHE 87 Cb -0.10 -0.77 0.32 0.00 -0.57 0.00 0.00 43.02 41.89 2nnz s PHE 87 CO 0.43 -0.38 1.27 1.19 -0.10 0.00 0.00 175.22 177.63 2nnz n PHE 88 N 5.17 -2.09 0.00 0.36 3.72 -1.26 -4.34 117.46 119.02 2nnz n PHE 88 Ca -0.07 -1.69 0.00 0.00 -0.05 0.00 0.00 57.45 55.64 2nnz n PHE 88 Cb 0.49 1.52 0.00 0.00 -0.94 0.00 0.00 39.48 40.55 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 -1.20 0.00 1.37 0.00 -1.26 -4.90 105.19 98.83 2nnz n GLY 89 Ca -0.06 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 -3.95 1.61 -0.00 -1.26 -4.90 118.16 109.66 2nnz n LYS 90 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 2nnz n LYS 90 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.01 2nnz n LYS 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2nnz s THR 91 N -2.33 0.00 0.58 0.58 -4.23 -1.25 -4.34 115.64 104.65 2nnz s THR 91 Ca 0.00 -1.28 0.26 0.00 -1.18 0.00 0.00 61.69 59.50 2nnz s THR 91 Cb 0.00 -2.49 0.39 0.00 1.34 0.00 0.00 72.50 71.74 2nnz s THR 91 CO 0.00 0.00 1.25 -2.65 -0.54 0.00 0.00 174.62 172.68 2nnz n PRO 92 N -0.49 0.01 -3.18 3.99 -0.01 -1.26 -1.56 135.00 132.51 2nnz n PRO 92 Ca -0.03 0.98 -0.20 0.00 -0.01 0.00 0.00 63.50 64.23 2nnz n PRO 92 Cb 0.61 -2.43 -0.04 0.00 -0.01 0.00 0.00 33.50 31.63 2nnz n PRO 92 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 175.50 174.60 2nnz n ILE 93 N -3.19 0.06 0.12 4.25 -0.00 -1.26 -4.98 119.36 114.36 2nnz n ILE 93 Ca 0.23 -4.56 -0.10 0.00 -0.00 0.00 0.00 62.75 58.32 2nnz n ILE 93 Cb 1.49 -0.82 -0.06 0.00 -0.00 0.00 0.00 39.64 40.25 2nnz n ILE 93 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 2nnz h SER 94 N 3.27 -0.91 0.00 4.38 0.02 -1.49 -3.37 113.55 115.46 2nnz h SER 94 Ca 0.10 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2nnz h SER 94 Cb 0.90 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2nnz h SER 94 CO 0.53 -0.37 0.00 -0.67 -1.14 0.00 0.00 176.83 175.18 2nnz n ASP 95 N -4.24 0.00 -0.04 3.07 2.03 -1.26 -1.64 116.55 114.46 2nnz n ASP 95 Ca -0.06 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.17 2nnz n ASP 95 Cb 0.26 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.63 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 2.75 1.71 -4.47 1.67 5.75 -1.26 -5.06 116.55 117.63 2nnz n ASP 96 Ca 0.00 0.05 -0.24 0.00 -0.01 0.00 0.00 54.79 54.59 2nnz n ASP 96 Cb 0.00 -0.21 -0.10 0.00 -1.03 0.00 0.00 41.12 39.78 2nnz n ASP 96 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2nnz s LYS 97 N -2.16 1.70 -0.63 0.11 -0.14 -0.65 -5.08 119.74 112.88 2nnz s LYS 97 Ca -0.12 -1.74 -0.28 0.00 -1.36 0.00 0.00 55.97 52.48 2nnz s LYS 97 Cb 0.04 -1.79 0.03 0.00 -1.68 0.00 0.00 37.83 34.42 2nnz s LYS 97 CO 0.17 0.34 1.29 0.42 -0.76 0.00 0.00 175.35 176.80 2nnz s ILE 98 N -2.44 3.85 -0.56 2.17 1.01 -1.26 -4.38 121.20 119.59 2nnz s ILE 98 Ca 0.29 0.67 -0.16 0.00 0.00 0.00 0.00 60.65 61.45 2nnz s ILE 98 Cb -0.05 -4.71 0.14 0.00 0.01 0.00 0.00 42.46 37.84 2nnz s ILE 98 CO 0.15 -1.47 0.52 -0.13 0.00 0.00 0.00 174.94 174.01 2nnz s ARG 99 N 5.40 3.03 0.31 2.79 1.81 -1.26 -4.65 118.95 126.39 2nnz s ARG 99 Ca 0.43 -1.77 0.09 0.00 -1.72 0.00 0.00 55.73 52.76 2nnz s ARG 99 Cb -0.08 -4.31 0.51 0.00 -0.45 0.00 0.00 34.95 30.62 2nnz s ARG 99 CO 0.22 -1.33 1.72 -1.00 -0.68 0.00 0.00 175.30 174.23 2nnz h PRO 100 N 8.80 0.11 0.00 3.54 0.13 -1.94 -3.40 132.00 139.24 2nnz h PRO 100 Ca -0.27 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2nnz h PRO 100 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2nnz h PRO 100 CO 1.02 0.54 0.00 0.00 -0.23 0.00 0.00 178.00 179.33 2nnz n ALA 101 N -2.46 0.00 0.59 -0.56 0.00 -1.26 -4.92 120.51 111.90 2nnz n ALA 101 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.49 2nnz n ALA 101 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 2nnz n ALA 101 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2nnz n SER 102 N 0.07 1.07 -2.69 0.00 3.41 -1.26 -4.69 113.62 109.53 2nnz n SER 102 Ca 0.00 -1.04 -0.05 0.00 -0.26 0.00 0.00 58.87 57.52 2nnz n SER 102 Cb 0.00 0.70 0.06 0.00 -0.26 0.00 0.00 64.21 64.71 2nnz n SER 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nnz n ALA 103 N -0.67 -2.97 -2.39 7.33 0.00 -1.26 -4.65 120.51 115.91 2nnz n ALA 103 Ca 0.04 -0.59 -0.31 0.00 0.00 0.00 0.00 53.44 52.58 2nnz n ALA 103 Cb 0.24 -2.68 -0.14 0.00 0.00 0.00 0.00 19.45 16.87 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 0.36 2.47 0.40 0.00 -7.23 0.14 -3.78 120.40 112.77 2nnz s VAL 104 Ca 0.28 -1.05 -0.19 0.00 -1.81 0.00 0.00 61.98 59.20 2nnz s VAL 104 Cb 0.20 -1.94 -0.10 0.00 0.56 0.00 0.00 36.38 35.10 2nnz s VAL 104 CO -0.13 0.51 0.88 0.20 -0.31 0.00 0.00 175.10 176.26 2nnz s ASN 105 N -0.87 6.87 -1.21 4.85 0.02 -0.77 0.34 114.94 124.16 2nnz s ASN 105 Ca 0.11 1.55 -0.17 0.00 -1.02 0.00 0.00 52.86 53.33 2nnz s ASN 105 Cb -0.10 -2.48 0.11 0.00 0.02 0.00 0.00 41.25 38.79 2nnz s ASN 105 CO 0.01 -0.32 1.56 0.68 0.02 0.00 0.00 177.10 179.04 2nnz s VAL 106 N -2.14 4.45 -1.11 1.60 -7.23 -1.26 -0.26 120.40 114.44 2nnz s VAL 106 Ca 0.59 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 2nnz s VAL 106 Cb -0.09 -5.05 0.00 0.00 0.56 0.00 0.00 36.38 31.79 2nnz s VAL 106 CO 0.15 -1.84 0.24 0.00 -0.31 0.00 0.00 175.10 173.34 2nnz n ILE 107 N 5.79 0.00 0.00 -0.62 0.00 -1.03 -4.68 119.36 118.82 2nnz n ILE 107 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 62.75 63.16 2nnz n ILE 107 Cb 0.46 -0.22 0.00 0.00 0.00 0.00 0.00 39.64 39.87 2nnz n ILE 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2nnz n GLY 108 N 0.24 0.32 3.63 4.50 0.00 -1.15 -4.19 105.19 108.54 2nnz n GLY 108 Ca 0.00 -2.13 -0.09 0.00 0.00 0.00 0.00 46.02 43.80 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 1.53 -0.35 1.61 0.52 -1.25 0.36 118.95 121.38 2nnz s ARG 109 Ca 0.00 -0.97 -0.14 0.00 -0.52 0.00 0.00 55.73 54.10 2nnz s ARG 109 Cb 0.00 0.54 -0.01 0.00 0.52 0.00 0.00 34.95 36.00 2nnz s ARG 109 CO 0.00 -0.66 0.30 0.42 0.02 0.00 0.00 175.30 175.37 2nnz s ILE 110 N -3.91 5.24 0.00 1.52 1.01 -1.17 -1.82 121.20 122.06 2nnz s ILE 110 Ca 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.63 2nnz s ILE 110 Cb -0.02 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.67 2nnz s ILE 110 CO 0.02 -0.07 0.00 1.33 0.00 0.00 0.00 174.94 176.23 2nnz n VAL 111 N 5.17 0.00 -2.72 2.92 0.24 -1.24 -4.85 118.33 117.85 2nnz n VAL 111 Ca -0.11 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.87 2nnz n VAL 111 Cb 0.49 -0.65 -0.05 0.00 -1.47 0.00 0.00 33.84 32.17 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 -1.00 6.70 -1.42 -1.34 2.20 -1.26 -3.88 114.94 114.94 2nnz s ASN 112 Ca 0.00 1.46 -0.03 0.00 -0.94 0.00 0.00 52.86 53.35 2nnz s ASN 112 Cb 0.00 -2.46 0.00 0.00 -2.00 0.00 0.00 41.25 36.80 2nnz s ASN 112 CO 0.00 -0.43 0.37 -0.24 -2.94 0.00 0.00 177.10 173.86 2nnz n SER 113 N -1.10 -5.49 0.00 3.54 2.88 -1.26 -3.50 113.62 108.69 2nnz n SER 113 Ca 0.05 -0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 2nnz n SER 113 Cb 0.54 -4.39 0.00 0.00 -0.75 0.00 0.00 64.21 59.61 2nnz n SER 113 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 2nnz n MET 114 N -3.35 0.00 -0.67 -1.46 0.00 -1.25 -4.09 117.12 106.30 2nnz n MET 114 Ca -0.14 0.72 0.09 0.00 0.00 0.00 0.00 57.70 58.37 2nnz n MET 114 Cb 0.62 -1.45 -0.02 0.00 0.00 0.00 0.00 33.22 32.37 2nnz n MET 114 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2nnz n GLU 115 N -2.36 -1.35 -2.18 3.17 1.02 -1.26 -4.42 120.64 113.26 2nnz n GLU 115 Ca 0.00 0.89 -0.28 0.00 -0.02 0.00 0.00 57.16 57.75 2nnz n GLU 115 Cb 0.00 -1.65 0.02 0.00 -0.02 0.00 0.00 31.44 29.79 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 -1.99 6.06 0.48 0.62 0.00 -1.26 -4.85 105.19 104.24 2nnz n GLY 116 Ca 0.00 -2.67 0.38 0.00 0.00 0.00 0.00 46.02 43.73 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 2.47 0.23 -0.82 0.99 6.46 -1.92 0.11 115.31 122.83 2nnz h LEU 117 Ca 0.38 0.13 0.12 0.00 -0.12 0.00 0.00 57.88 58.39 2nnz h LEU 117 Cb 0.98 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 41.01 2nnz h LEU 117 CO 0.96 -0.17 0.95 0.07 -0.62 0.00 0.00 178.44 179.62 2nnz h LYS 118 N 0.08 0.00 -1.24 1.25 5.09 -1.90 0.40 116.57 120.25 2nnz h LYS 118 Ca 0.82 0.00 -0.38 0.00 0.09 0.00 0.00 60.65 61.19 2nnz h LYS 118 Cb 2.63 0.00 -0.18 0.00 0.10 0.00 0.00 32.23 34.77 2nnz h LYS 118 CO -0.40 0.00 0.49 0.41 -2.09 0.00 0.00 179.45 177.86 2nnz n GLY 119 N -1.55 4.16 3.77 0.07 0.00 0.39 -4.37 105.19 107.66 2nnz n GLY 119 Ca 0.09 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.59 3.17 0.41 1.61 -7.23 0.14 -5.01 120.40 110.90 2nnz s VAL 120 Ca 0.38 0.55 -0.24 0.00 -1.81 0.00 0.00 61.98 60.86 2nnz s VAL 120 Cb 0.30 -3.07 -0.09 0.00 0.56 0.00 0.00 36.38 34.09 2nnz s VAL 120 CO 0.02 -0.33 1.08 0.00 -0.31 0.00 0.00 175.10 175.56 2nnz s ALA 121 N -2.30 3.07 0.01 1.32 0.00 -1.26 -4.94 121.76 117.66 2nnz s ALA 121 Ca 0.68 0.76 -0.32 0.00 0.00 0.00 0.00 51.96 53.08 2nnz s ALA 121 Cb -0.21 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.50 2nnz s ALA 121 CO 0.42 -0.31 1.91 -0.40 0.00 0.00 0.00 175.76 177.37 2nnz n ASP 122 N -0.13 3.84 -2.40 0.00 5.75 -1.26 -4.20 116.55 118.15 2nnz n ASP 122 Ca 0.05 0.95 -0.04 0.00 -0.01 0.00 0.00 54.79 55.74 2nnz n ASP 122 Cb 0.49 -1.47 -0.04 0.00 -1.03 0.00 0.00 41.12 39.08 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 4.40 -5.07 3.36 6.12 0.00 -1.26 -4.99 105.19 107.76 2nnz n GLY 123 Ca 0.21 1.32 -0.15 0.00 0.00 0.00 0.00 46.02 47.40 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 -0.73 0.87 1.05 1.61 -1.05 -1.23 -5.02 118.70 114.19 2nnz s GLU 124 Ca -0.22 -0.04 -0.16 0.00 -0.15 0.00 0.00 54.97 54.40 2nnz s GLU 124 Cb 0.01 0.40 0.07 0.00 -0.44 0.00 0.00 34.13 34.17 2nnz s GLU 124 CO 0.59 -0.27 0.18 0.45 0.95 0.00 0.00 175.26 177.16 2nnz n SER 125 N 1.00 -2.28 -3.65 0.83 2.88 -1.26 -1.82 113.62 109.31 2nnz n SER 125 Ca -0.20 0.08 -0.07 0.00 -1.33 0.00 0.00 58.87 57.34 2nnz n SER 125 Cb 0.57 -1.07 -0.08 0.00 -0.75 0.00 0.00 64.21 62.89 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 -2.30 -0.10 -0.24 2.46 1.01 0.11 -4.37 120.40 116.96 2nnz s VAL 126 Ca 0.56 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2nnz s VAL 126 Cb -0.16 -0.90 0.07 0.00 0.00 0.00 0.00 36.38 35.39 2nnz s VAL 126 CO 0.67 0.01 -0.02 0.68 0.00 0.00 0.00 175.10 176.44 2nnz s VAL 127 N 1.71 1.36 -0.06 2.92 -7.23 -1.25 0.13 120.40 117.98 2nnz s VAL 127 Ca -0.09 -1.20 -0.26 0.00 -1.81 0.00 0.00 61.98 58.62 2nnz s VAL 127 Cb -0.07 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 2nnz s VAL 127 CO -0.18 -0.20 0.82 -0.69 -0.31 0.00 0.00 175.10 174.54 2nnz s VAL 128 N 1.46 4.96 -0.20 1.32 1.01 -0.83 -3.80 120.40 124.32 2nnz s VAL 128 Ca -0.03 1.69 -0.11 0.00 0.00 0.00 0.00 61.98 63.54 2nnz s VAL 128 Cb -0.18 -4.15 0.07 0.00 0.00 0.00 0.00 36.38 32.11 2nnz s VAL 128 CO -0.08 0.19 0.48 -1.83 0.00 0.00 0.00 175.10 173.86 2nnz s GLU 129 N 1.05 0.47 -0.96 2.72 -1.05 -0.55 -1.21 118.70 119.17 2nnz s GLU 129 Ca 0.43 0.93 -0.24 0.00 -0.15 0.00 0.00 54.97 55.94 2nnz s GLU 129 Cb -0.19 0.06 -0.01 0.00 -0.44 0.00 0.00 34.13 33.55 2nnz s GLU 129 CO 0.21 -0.16 1.77 0.50 0.95 0.00 0.00 175.26 178.53 2nnz s ARG 130 N 1.58 2.94 0.00 -4.83 3.00 -1.26 0.97 118.95 121.35 2nnz s ARG 130 Ca -0.09 -0.64 0.00 0.00 -1.00 0.00 0.00 55.73 54.00 2nnz s ARG 130 Cb -0.08 -5.18 0.00 0.00 0.00 0.00 0.00 34.95 29.69 2nnz s ARG 130 CO -0.15 -2.97 0.00 0.00 0.00 0.00 0.00 175.30 172.18