#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nnz n GLY 2 N 0.00 2.19 1.15 -5.12 0.00 -1.26 -5.01 105.19 97.15 2nnz n GLY 2 Ca 0.00 -1.10 -0.05 0.00 0.00 0.00 0.00 46.02 44.87 2nnz n GLY 2 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2nnz n GLU 3 N 1.53 2.18 -1.54 1.61 4.07 -1.26 -4.92 120.64 122.31 2nnz n GLU 3 Ca 0.00 -3.49 -0.18 0.00 -0.06 0.00 0.00 57.16 53.43 2nnz n GLU 3 Cb 0.00 -1.85 -0.08 0.00 -0.06 0.00 0.00 31.44 29.45 2nnz n GLU 3 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2nnz n ARG 4 N -1.02 -1.44 -2.53 5.31 3.00 -1.26 -4.75 116.66 113.97 2nnz n ARG 4 Ca 0.30 1.15 -0.04 0.00 -0.01 0.00 0.00 57.85 59.25 2nnz n ARG 4 Cb 0.85 -5.51 0.08 0.00 0.00 0.00 0.00 32.46 27.88 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 -0.39 0.86 2.46 -0.13 0.00 -1.26 -5.05 105.19 101.69 2nnz n GLY 5 Ca -0.18 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.80 1.49 -2.18 1.61 0.24 -1.26 -3.52 118.33 113.90 2nnz n VAL 6 Ca -0.12 -4.84 -0.01 0.00 -2.04 0.00 0.00 64.34 57.33 2nnz n VAL 6 Cb 0.78 -2.07 0.01 0.00 -1.47 0.00 0.00 33.84 31.09 2nnz n VAL 6 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2nnz n GLU 7 N 1.25 0.21 -3.57 7.34 0.28 -1.24 -4.98 120.64 119.93 2nnz n GLU 7 Ca 0.27 -0.29 -0.41 0.00 -0.16 0.00 0.00 57.16 56.57 2nnz n GLU 7 Cb 0.42 0.26 -0.10 0.00 1.43 0.00 0.00 31.44 33.46 2nnz n GLU 7 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 2nnz s MET 8 N 0.02 2.73 0.02 3.44 1.75 -1.20 -4.95 119.30 121.11 2nnz s MET 8 Ca 0.01 -1.30 0.04 0.00 -1.25 0.00 0.00 55.69 53.19 2nnz s MET 8 Cb 0.07 -3.80 -0.04 0.00 2.84 0.00 0.00 34.83 33.90 2nnz s MET 8 CO -0.02 -0.87 -0.06 -0.98 -0.65 0.00 0.00 175.02 172.44 2nnz s ARG 9 N 1.50 2.51 0.31 4.11 1.04 -1.26 -0.68 118.95 126.48 2nnz s ARG 9 Ca 0.03 -0.77 0.10 0.00 -1.04 0.00 0.00 55.73 54.05 2nnz s ARG 9 Cb -0.22 -2.49 -0.05 0.00 -2.04 0.00 0.00 34.95 30.15 2nnz s ARG 9 CO 0.04 0.59 -0.09 -0.48 -0.04 0.00 0.00 175.30 175.32 2nnz s LEU 10 N -1.59 2.83 -0.04 -1.89 2.34 -0.50 -4.34 118.68 115.49 2nnz s LEU 10 Ca 0.18 -0.99 -0.01 0.00 0.06 0.00 0.00 54.13 53.38 2nnz s LEU 10 Cb -0.11 -1.25 -0.04 0.00 -0.56 0.00 0.00 46.19 44.23 2nnz s LEU 10 CO 0.09 -0.09 0.04 -0.60 -1.06 0.00 0.00 176.35 174.74 2nnz s ARG 11 N -3.61 3.01 -0.28 1.48 3.00 0.31 -3.16 118.95 119.71 2nnz s ARG 11 Ca 0.32 -0.45 -0.02 0.00 -1.00 0.00 0.00 55.73 54.58 2nnz s ARG 11 Cb -0.02 -2.83 0.12 0.00 0.00 0.00 0.00 34.95 32.22 2nnz s ARG 11 CO 0.17 0.67 0.25 0.42 0.00 0.00 0.00 175.30 176.81 2nnz s ILE 12 N -1.05 -0.32 0.19 4.11 1.01 -1.20 -1.46 121.20 122.48 2nnz s ILE 12 Ca 0.18 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.39 2nnz s ILE 12 Cb -0.12 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 2nnz s ILE 12 CO 0.08 -0.48 0.26 -0.13 0.00 0.00 0.00 174.94 174.67 2nnz s ARG 13 N 2.30 3.25 -0.01 2.79 0.52 -1.25 -3.20 118.95 123.35 2nnz s ARG 13 Ca 0.09 -0.76 0.02 0.00 -0.52 0.00 0.00 55.73 54.56 2nnz s ARG 13 Cb -0.15 -2.82 0.00 0.00 0.52 0.00 0.00 34.95 32.50 2nnz s ARG 13 CO -0.30 0.48 -0.06 -0.06 0.02 0.00 0.00 175.30 175.37 2nnz s PHE 14 N -1.85 0.65 0.56 -0.53 0.40 0.41 -3.70 117.98 113.93 2nnz s PHE 14 Ca 0.33 -0.14 0.40 0.00 -0.60 0.00 0.00 56.93 56.93 2nnz s PHE 14 Cb -0.10 -0.47 1.53 0.00 0.51 0.00 0.00 43.02 44.49 2nnz s PHE 14 CO 0.27 -0.05 1.64 0.93 0.70 0.00 0.00 175.22 178.71 2nnz h GLU 15 N 6.27 0.00 0.00 0.44 3.07 -1.94 0.37 114.58 122.78 2nnz h GLU 15 Ca -0.32 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.53 2nnz h GLU 15 Cb 1.18 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.07 2nnz h GLU 15 CO 0.49 0.00 -0.23 -1.13 -1.40 0.00 0.00 179.01 176.74 2nnz n SER 16 N -3.90 1.73 -3.62 1.42 3.41 -1.26 -5.06 113.62 106.35 2nnz n SER 16 Ca 0.32 -2.97 -0.05 0.00 -0.26 0.00 0.00 58.87 55.91 2nnz n SER 16 Cb 1.56 -0.40 -0.04 0.00 -0.26 0.00 0.00 64.21 65.07 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 -2.25 -2.05 0.02 7.33 0.00 0.13 -4.95 121.76 119.99 2nnz s ALA 17 Ca 0.27 1.77 0.03 0.00 0.00 0.00 0.00 51.96 54.02 2nnz s ALA 17 Cb 0.25 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 2nnz s ALA 17 CO -0.00 -0.29 -0.08 -1.83 0.00 0.00 0.00 175.76 173.55 2nnz s GLU 18 N -1.15 0.61 -0.15 0.00 -1.05 -1.26 0.16 118.70 115.86 2nnz s GLU 18 Ca 0.05 -0.49 -0.30 0.00 -0.15 0.00 0.00 54.97 54.09 2nnz s GLU 18 Cb -0.01 -0.54 0.11 0.00 -0.44 0.00 0.00 34.13 33.25 2nnz s GLU 18 CO -0.04 0.13 0.89 0.00 0.95 0.00 0.00 175.26 177.19 2nnz s GLU 20 N -0.90 1.98 -0.13 0.00 2.02 -1.26 -3.27 118.70 117.14 2nnz s GLU 20 Ca -0.04 -1.39 -0.11 0.00 0.02 0.00 0.00 54.97 53.46 2nnz s GLU 20 Cb -0.01 -2.07 0.04 0.00 0.10 0.00 0.00 34.13 32.18 2nnz s GLU 20 CO 0.03 0.41 0.33 0.54 0.02 0.00 0.00 175.26 176.59 2nnz s VAL 21 N -1.89 -0.00 0.59 2.63 0.11 -1.19 -3.22 120.40 117.42 2nnz s VAL 21 Ca 0.26 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.35 2nnz s VAL 21 Cb -0.08 -0.47 0.11 0.00 -1.53 0.00 0.00 36.38 34.41 2nnz s VAL 21 CO 0.15 0.01 0.81 -0.62 -3.33 0.00 0.00 175.10 172.11 2nnz n GLU 22 N 3.09 0.22 -3.67 1.54 1.02 -0.84 -1.41 120.64 120.60 2nnz n GLU 22 Ca -0.15 -2.48 -0.15 0.00 -0.02 0.00 0.00 57.16 54.37 2nnz n GLU 22 Cb 0.57 -0.45 -0.08 0.00 -0.02 0.00 0.00 31.44 31.47 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 0.11 0.07 -4.62 2.96 0.15 -3.61 118.68 113.74 2nnz s LEU 23 Ca 0.56 0.62 0.07 0.00 -0.22 0.00 0.00 54.13 55.15 2nnz s LEU 23 Cb -0.04 1.82 -0.03 0.00 0.50 0.00 0.00 46.19 48.45 2nnz s LEU 23 CO 0.36 -0.40 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.50 2nnz s TYR 24 N -0.71 1.60 -0.87 5.38 2.02 -1.26 -3.26 117.35 120.25 2nnz s TYR 24 Ca -0.08 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 2nnz s TYR 24 Cb -0.03 -0.92 0.00 0.00 -0.40 0.00 0.00 41.96 40.61 2nnz s TYR 24 CO 0.05 0.12 0.87 0.39 -1.57 0.00 0.00 175.55 175.40 2nnz n GLU 25 N 1.49 0.00 -0.35 -0.62 1.02 -1.23 -2.99 120.64 117.96 2nnz n GLU 25 Ca -0.19 0.38 0.37 0.00 -0.02 0.00 0.00 57.16 57.70 2nnz n GLU 25 Cb 0.54 -1.59 0.72 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 -1.92 0.51 114.58 120.77 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 0.17 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 -0.06 2.35 0.07 0.00 0.00 179.01 181.37 2nnz h TRP 27 N 0.00 0.00 0.00 2.06 7.01 -1.82 -3.46 115.95 119.74 2nnz h TRP 27 Ca 0.60 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.60 2nnz h TRP 27 Cb 2.60 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 29.66 2nnz h TRP 27 CO 0.00 0.39 0.00 0.00 -2.79 0.00 0.00 178.44 176.04 2nnz n ALA 28 N -2.78 0.00 -0.36 2.65 0.00 0.17 -4.68 120.51 115.50 2nnz n ALA 28 Ca -0.05 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.67 2nnz n ALA 28 Cb 0.20 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.22 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 0.26 0.20 0.00 0.10 -1.93 -0.54 132.00 130.09 2nnz h PRO 29 Ca 0.00 -0.02 -0.01 0.00 0.10 0.00 0.00 66.00 66.07 2nnz h PRO 29 Cb 0.00 -0.06 0.00 0.00 0.10 0.00 0.00 31.00 31.04 2nnz h PRO 29 CO 0.00 0.17 -0.10 0.93 0.10 0.00 0.00 178.00 179.11 2nnz h GLU 30 N 0.27 -0.26 -0.34 1.05 4.39 -1.96 -2.87 114.58 114.87 2nnz h GLU 30 Ca 0.67 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.37 2nnz h GLU 30 Cb 1.90 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.59 2nnz h GLU 30 CO -0.32 -0.17 0.14 1.79 -1.16 0.00 0.00 179.01 179.28 2nnz h THR 31 N -0.27 1.18 -1.38 1.13 1.35 -1.51 -2.43 112.91 110.99 2nnz h THR 31 Ca -0.03 -0.56 0.40 0.00 -0.55 0.00 0.00 66.41 65.67 2nnz h THR 31 Cb 0.21 0.92 -0.06 0.00 -1.73 0.00 0.00 68.15 67.49 2nnz h THR 31 CO 0.04 0.20 0.99 0.58 -0.25 0.00 0.00 175.52 177.08 2nnz h VAL 32 N 0.40 0.31 -0.90 6.82 2.07 -1.22 0.46 116.25 124.19 2nnz h VAL 32 Ca 0.11 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.64 2nnz h VAL 32 Cb 0.18 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 2nnz h VAL 32 CO -0.01 0.00 0.58 -0.09 0.02 0.00 0.00 177.57 178.08 2nnz h ARG 33 N 0.01 1.19 -0.24 1.57 2.43 -1.21 -2.00 114.38 116.12 2nnz h ARG 33 Ca 0.66 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.74 2nnz h ARG 33 Cb 2.63 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 31.91 2nnz h ARG 33 CO -0.01 0.79 0.10 0.00 -1.51 0.00 0.00 179.97 179.34 2nnz h ALA 34 N 1.43 0.30 -0.23 2.80 0.00 -0.21 0.17 119.26 123.52 2nnz h ALA 34 Ca 0.33 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2nnz h ALA 34 Cb -0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2nnz h ALA 34 CO -0.07 -0.11 0.01 0.82 0.00 0.00 0.00 179.25 179.89 2nnz h ILE 35 N 0.24 0.84 0.00 0.00 1.08 -1.49 0.09 117.51 118.27 2nnz h ILE 35 Ca 0.08 -0.03 -0.03 0.00 -0.39 0.00 0.00 64.86 64.49 2nnz h ILE 35 Cb 0.16 0.75 -0.00 0.00 -3.07 0.00 0.00 36.82 34.65 2nnz h ILE 35 CO -0.01 0.01 -0.15 0.00 -0.69 0.00 0.00 178.15 177.31 2nnz h ALA 36 N 1.20 1.46 0.00 1.87 0.00 -1.17 -1.15 119.26 121.47 2nnz h ALA 36 Ca 0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2nnz h ALA 36 Cb 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2nnz h ALA 36 CO -0.18 0.19 -0.29 0.22 0.00 0.00 0.00 179.25 179.18 2nnz h ASP 37 N 0.00 0.00 -1.67 0.00 3.58 0.12 -3.25 116.42 115.20 2nnz h ASP 37 Ca -0.00 0.00 -0.68 0.00 0.42 0.00 0.00 57.03 56.77 2nnz h ASP 37 Cb 0.33 0.00 -0.24 0.00 1.72 0.00 0.00 39.33 41.14 2nnz h ASP 37 CO 0.02 0.29 0.86 0.00 -2.88 0.00 0.00 179.24 177.53 2nnz n ALA 38 N -2.24 6.48 -1.00 -0.78 0.00 -0.36 -4.99 120.51 117.62 2nnz n ALA 38 Ca 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 53.44 49.69 2nnz n ALA 38 Cb 0.50 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.92 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 -0.14 0.00 -2.14 0.00 4.77 -1.23 -4.56 117.00 113.69 2nnz n LEU 39 Ca 0.53 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 56.24 2nnz n LEU 39 Cb 0.35 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 2nnz n LEU 39 CO 0.47 -0.44 0.95 -2.65 -1.33 0.00 0.00 177.39 174.38 2nnz n PRO 40 N 0.00 0.00 -3.75 3.23 -0.02 -0.13 -4.45 135.00 129.89 2nnz n PRO 40 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 2nnz n PRO 40 Cb 0.00 -0.74 -0.09 0.00 -0.02 0.00 0.00 33.50 32.65 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 3.52 0.05 0.04 4.25 1.01 -0.36 -4.95 121.20 124.75 2nnz s ILE 41 Ca 0.62 -0.43 -0.24 0.00 0.00 0.00 0.00 60.65 60.61 2nnz s ILE 41 Cb -0.70 -0.63 -0.06 0.00 0.01 0.00 0.00 42.46 41.09 2nnz s ILE 41 CO 0.29 -0.23 0.72 -0.54 0.00 0.00 0.00 174.94 175.18 2nnz s LYS 42 N -1.24 4.44 0.00 2.79 1.02 -1.26 -1.83 119.74 123.67 2nnz s LYS 42 Ca -0.13 0.97 -0.06 0.00 0.02 0.00 0.00 55.97 56.78 2nnz s LYS 42 Cb -0.05 -3.35 -0.00 0.00 -0.52 0.00 0.00 37.83 33.91 2nnz s LYS 42 CO 0.04 0.32 0.10 -1.54 -0.92 0.00 0.00 175.35 173.36 2nnz s SER 43 N -0.15 0.06 -0.26 2.83 1.04 0.32 -4.90 113.70 112.63 2nnz s SER 43 Ca 0.36 -0.24 -0.10 0.00 0.48 0.00 0.00 55.95 56.45 2nnz s SER 43 Cb -0.20 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 2nnz s SER 43 CO 0.21 -0.33 0.15 -0.89 0.98 0.00 0.00 173.24 173.36 2nnz s THR 44 N -1.30 5.04 0.03 2.02 2.01 -1.26 -0.29 115.64 121.87 2nnz s THR 44 Ca -0.14 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.64 2nnz s THR 44 Cb -0.08 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 2nnz s THR 44 CO 0.01 0.30 0.96 0.00 -0.69 0.00 0.00 174.62 175.19 2nnz s ALA 45 N 1.55 3.19 -0.24 7.40 0.00 -0.89 -4.32 121.76 128.46 2nnz s ALA 45 Ca 0.07 0.52 -0.09 0.00 0.00 0.00 0.00 51.96 52.46 2nnz s ALA 45 Cb -0.15 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 2nnz s ALA 45 CO 0.08 -0.17 0.12 -0.80 0.00 0.00 0.00 175.76 174.99 2nnz s ASN 46 N 0.72 5.69 0.05 0.00 0.01 -1.10 -3.43 114.94 116.88 2nnz s ASN 46 Ca 0.50 -0.01 -0.21 0.00 -0.71 0.00 0.00 52.86 52.43 2nnz s ASN 46 Cb -0.21 -2.02 -0.06 0.00 0.41 0.00 0.00 41.25 39.36 2nnz s ASN 46 CO 0.28 0.04 0.62 -0.13 -1.51 0.00 0.00 177.10 176.40 2nnz s ARG 47 N 1.18 4.31 -0.04 -0.60 1.81 -1.26 -3.08 118.95 121.28 2nnz s ARG 47 Ca 0.06 0.81 -0.17 0.00 -1.72 0.00 0.00 55.73 54.70 2nnz s ARG 47 Cb -0.14 -3.30 0.03 0.00 -0.45 0.00 0.00 34.95 31.10 2nnz s ARG 47 CO 0.05 0.49 0.38 -0.46 -0.68 0.00 0.00 175.30 175.08 2nnz s TRP 48 N -0.63 -0.30 -0.75 -0.53 -0.11 -0.04 -4.96 118.94 111.62 2nnz s TRP 48 Ca 0.31 0.53 -0.10 0.00 1.22 0.00 0.00 56.10 58.06 2nnz s TRP 48 Cb -0.19 0.16 -0.24 0.00 -1.50 0.00 0.00 33.47 31.69 2nnz s TRP 48 CO 0.19 -0.40 1.69 0.41 -4.62 0.00 0.00 176.95 174.22 2nnz n GLY 49 N 1.45 -0.38 4.29 5.86 0.00 -1.26 -0.55 105.19 114.61 2nnz n GLY 49 Ca -0.20 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 4.78 0.00 -4.77 1.61 2.03 -1.26 -4.13 116.55 114.80 2nnz n ASP 50 Ca 0.51 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.44 2nnz n ASP 50 Cb 0.09 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.45 2nnz n ASP 50 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2nnz s GLU 51 N 0.00 4.46 -0.17 -0.67 2.02 0.29 -4.48 118.70 120.14 2nnz s GLU 51 Ca 0.00 1.59 -0.04 0.00 0.02 0.00 0.00 54.97 56.53 2nnz s GLU 51 Cb 0.00 -2.88 0.08 0.00 0.10 0.00 0.00 34.13 31.44 2nnz s GLU 51 CO 0.00 0.11 0.26 0.42 0.02 0.00 0.00 175.26 176.07 2nnz s ILE 52 N -1.43 -0.41 -0.05 -1.63 1.09 -1.26 -0.86 121.20 116.65 2nnz s ILE 52 Ca 0.50 0.09 0.04 0.00 -1.10 0.00 0.00 60.65 60.18 2nnz s ILE 52 Cb -0.25 -0.58 0.00 0.00 -1.06 0.00 0.00 42.46 40.57 2nnz s ILE 52 CO 0.32 -0.04 -0.16 -0.72 -0.10 0.00 0.00 174.94 174.24 2nnz s TYR 53 N 2.40 1.71 0.02 3.97 -0.85 -1.18 -3.01 117.35 120.41 2nnz s TYR 53 Ca 0.05 -0.55 0.04 0.00 -0.52 0.00 0.00 57.07 56.08 2nnz s TYR 53 Cb -0.14 -1.18 -0.02 0.00 0.38 0.00 0.00 41.96 41.01 2nnz s TYR 53 CO -0.11 -0.22 -0.12 -0.59 -1.52 0.00 0.00 175.55 172.99 2nnz s PHE 54 N 0.24 1.03 0.07 -3.49 -0.12 -1.19 -2.73 117.98 111.78 2nnz s PHE 54 Ca -0.08 -0.29 -0.13 0.00 -0.05 0.00 0.00 56.93 56.37 2nnz s PHE 54 Cb -0.13 -0.63 -0.06 0.00 -0.63 0.00 0.00 43.02 41.57 2nnz s PHE 54 CO 0.03 0.00 0.45 0.99 -0.05 0.00 0.00 175.22 176.64 2nnz s THR 55 N -0.65 4.99 -0.02 -4.49 2.01 -1.26 -3.69 115.64 112.53 2nnz s THR 55 Ca 0.01 0.72 0.00 0.00 0.31 0.00 0.00 61.69 62.74 2nnz s THR 55 Cb -0.06 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.75 2nnz s THR 55 CO 0.00 0.40 0.93 0.35 -0.69 0.00 0.00 174.62 175.61 2nnz n THR 56 N 1.26 0.85 -0.35 -0.82 -2.24 -1.26 -4.40 114.28 107.32 2nnz n THR 56 Ca -0.10 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 2nnz n THR 56 Cb 0.52 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.41 0.00 -2.81 -0.78 6.02 -1.26 -4.99 117.38 113.15 2nnz n GLN 57 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 2nnz n GLN 57 Cb 0.22 -1.80 -0.04 0.00 1.02 0.00 0.00 30.24 29.64 2nnz n GLN 57 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2nnz s VAL 58 N -3.32 4.63 -0.41 5.09 0.11 -1.26 -5.01 120.40 120.23 2nnz s VAL 58 Ca 0.00 1.30 -0.10 0.00 -2.93 0.00 0.00 61.98 60.24 2nnz s VAL 58 Cb 0.00 -4.30 0.06 0.00 -1.53 0.00 0.00 36.38 30.61 2nnz s VAL 58 CO 0.00 -0.45 0.25 0.00 -3.33 0.00 0.00 175.10 171.58 2nnz s ALA 59 N 3.37 3.31 -0.22 1.54 0.00 -1.26 -4.89 121.76 123.60 2nnz s ALA 59 Ca 0.38 -2.01 -0.04 0.00 0.00 0.00 0.00 51.96 50.30 2nnz s ALA 59 Cb -0.13 -2.67 0.07 0.00 0.00 0.00 0.00 23.12 20.40 2nnz s ALA 59 CO 0.16 -1.57 0.08 0.54 0.00 0.00 0.00 175.76 174.97 2nnz s VAL 60 N 1.49 0.25 -0.06 0.00 0.11 -1.26 -5.13 120.40 115.80 2nnz s VAL 60 Ca 0.03 -0.58 0.04 0.00 -2.93 0.00 0.00 61.98 58.54 2nnz s VAL 60 Cb -0.22 -0.95 -0.00 0.00 -1.53 0.00 0.00 36.38 33.68 2nnz s VAL 60 CO 0.04 -0.40 -0.18 -1.61 -3.33 0.00 0.00 175.10 169.62 2nnz s GLU 61 N 1.97 2.06 0.19 1.54 2.02 -1.26 -4.81 118.70 120.41 2nnz s GLU 61 Ca 0.03 -0.66 -0.16 0.00 0.02 0.00 0.00 54.97 54.21 2nnz s GLU 61 Cb -0.17 -1.72 0.02 0.00 0.10 0.00 0.00 34.13 32.36 2nnz s GLU 61 CO -0.16 0.22 0.48 0.21 0.02 0.00 0.00 175.26 176.02 2nnz s LYS 62 N 0.16 1.35 -0.84 1.61 2.20 -1.26 -5.11 119.74 117.84 2nnz s LYS 62 Ca -0.08 -0.95 -0.11 0.00 -0.36 0.00 0.00 55.97 54.47 2nnz s LYS 62 Cb -0.13 0.49 0.22 0.00 -1.51 0.00 0.00 37.83 36.90 2nnz s LYS 62 CO 0.04 -0.56 0.77 -1.21 -0.36 0.00 0.00 175.35 174.03 2nnz s GLU 63 N -3.90 3.53 -0.19 4.03 8.01 -1.26 -4.97 118.70 123.96 2nnz s GLU 63 Ca 0.11 -2.61 -0.30 0.00 0.01 0.00 0.00 54.97 52.18 2nnz s GLU 63 Cb -0.00 -4.33 0.14 0.00 -4.31 0.00 0.00 34.13 25.62 2nnz s GLU 63 CO -0.02 -1.27 1.05 -1.83 0.01 0.00 0.00 175.26 173.21 2nnz s GLU 64 N -0.13 0.52 0.29 1.61 -1.05 -1.26 -5.04 118.70 113.63 2nnz s GLU 64 Ca 0.20 0.16 0.00 0.00 -0.15 0.00 0.00 54.97 55.18 2nnz s GLU 64 Cb -0.11 0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.82 2nnz s GLU 64 CO -0.08 -0.15 0.00 -1.71 0.95 0.00 0.00 175.26 174.26 2nnz n ASN 65 N 0.82 0.00 -1.49 0.83 5.15 -1.26 -4.87 115.26 114.44 2nnz n ASN 65 Ca -0.09 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.82 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 3.07 -1.35 -4.93 1.20 7.64 -1.26 -4.92 113.62 113.06 2nnz n SER 66 Ca 0.00 -0.01 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 2nnz n SER 66 Cb 0.00 -0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 62.80 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 -0.50 3.37 0.00 1.43 0.00 0.25 -4.47 119.74 119.82 2nnz s LYS 67 Ca 0.07 -0.68 0.00 0.00 0.00 0.00 0.00 55.97 55.36 2nnz s LYS 67 Cb -0.01 -2.90 0.00 0.00 0.00 0.00 0.00 37.83 34.92 2nnz s LYS 67 CO 0.16 0.49 0.31 -0.40 0.00 0.00 0.00 175.35 175.91 2nnz n ASP 68 N -0.79 0.62 -4.14 0.03 5.68 -1.26 0.40 116.55 117.08 2nnz n ASP 68 Ca -0.08 -0.81 -0.24 0.00 -0.50 0.00 0.00 54.79 53.16 2nnz n ASP 68 Cb 0.55 0.35 -0.15 0.00 -1.14 0.00 0.00 41.12 40.73 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 -0.35 1.25 0.11 2.12 0.11 -1.26 -4.38 120.40 118.00 2nnz s VAL 69 Ca 0.00 -0.68 -0.24 0.00 -2.93 0.00 0.00 61.98 58.13 2nnz s VAL 69 Cb 0.00 -1.04 0.06 0.00 -1.53 0.00 0.00 36.38 33.87 2nnz s VAL 69 CO 0.00 0.35 0.59 0.68 -3.33 0.00 0.00 175.10 173.38 2nnz s VAL 70 N -0.38 0.01 0.21 2.04 -7.23 -1.26 -5.11 120.40 108.68 2nnz s VAL 70 Ca 0.06 -0.08 -0.05 0.00 -1.81 0.00 0.00 61.98 60.10 2nnz s VAL 70 Cb -0.06 -1.01 -0.06 0.00 0.56 0.00 0.00 36.38 35.81 2nnz s VAL 70 CO -0.01 -0.04 0.46 -1.61 -0.31 0.00 0.00 175.10 173.60 2nnz s GLU 71 N -3.22 3.64 -0.05 4.82 2.02 -1.26 -4.96 118.70 119.69 2nnz s GLU 71 Ca -0.01 -0.03 -0.38 0.00 0.02 0.00 0.00 54.97 54.57 2nnz s GLU 71 Cb -0.01 -2.75 -0.17 0.00 0.10 0.00 0.00 34.13 31.31 2nnz s GLU 71 CO -0.08 0.35 1.47 -0.11 0.02 0.00 0.00 175.26 176.91 2nnz n LEU 72 N -0.37 1.82 0.00 1.80 7.94 -1.26 -2.44 117.00 124.48 2nnz n LEU 72 Ca -0.02 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 2nnz n LEU 72 Cb 0.53 -1.16 0.00 0.00 0.53 0.00 0.00 43.42 43.32 2nnz n LEU 72 CO 0.48 -0.87 0.00 0.61 -1.11 0.00 0.00 177.39 176.50 2nnz n GLY 73 N 3.07 1.34 3.85 -3.96 0.00 -1.26 -5.10 105.19 103.13 2nnz n GLY 73 Ca 0.21 0.00 -0.32 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 -0.56 6.50 0.14 1.61 1.47 -1.02 -3.23 116.67 121.58 2nnz s ASP 74 Ca 0.00 1.52 0.08 0.00 1.18 0.00 0.00 52.55 55.33 2nnz s ASP 74 Cb 0.00 -2.49 -0.04 0.00 -0.34 0.00 0.00 42.92 40.05 2nnz s ASP 74 CO 0.00 -0.67 -0.11 -0.69 0.68 0.00 0.00 175.17 174.39 2nnz s VAL 75 N -2.78 3.22 -0.09 2.11 1.01 0.20 -4.46 120.40 119.60 2nnz s VAL 75 Ca 0.58 -1.49 -0.17 0.00 0.00 0.00 0.00 61.98 60.89 2nnz s VAL 75 Cb -0.10 -2.55 0.04 0.00 0.00 0.00 0.00 36.38 33.77 2nnz s VAL 75 CO 0.38 0.00 0.42 0.00 0.00 0.00 0.00 175.10 175.90 2nnz s ALA 76 N -1.44 -1.06 -0.09 5.51 0.00 -1.25 -2.20 121.76 121.22 2nnz s ALA 76 Ca 0.23 0.88 -0.11 0.00 0.00 0.00 0.00 51.96 52.96 2nnz s ALA 76 Cb -0.10 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 2nnz s ALA 76 CO 0.14 -0.25 0.27 -0.47 0.00 0.00 0.00 175.76 175.44 2nnz s TYR 77 N -0.59 3.60 -0.18 0.00 5.04 0.69 -3.15 117.35 122.77 2nnz s TYR 77 Ca -0.07 0.69 -0.29 0.00 -2.44 0.00 0.00 57.07 54.96 2nnz s TYR 77 Cb -0.04 -2.16 -0.00 0.00 0.35 0.00 0.00 41.96 40.11 2nnz s TYR 77 CO 0.03 0.57 1.05 -0.46 -1.34 0.00 0.00 175.55 175.41 2nnz s TRP 78 N -0.64 3.35 0.00 4.97 -0.11 0.94 -1.18 118.94 126.28 2nnz s TRP 78 Ca 0.18 1.47 0.00 0.00 1.22 0.00 0.00 56.10 58.97 2nnz s TRP 78 Cb -0.14 -3.27 0.00 0.00 -1.50 0.00 0.00 33.47 28.57 2nnz s TRP 78 CO 0.07 -0.52 0.35 -0.89 -4.62 0.00 0.00 176.95 171.34 2nnz n ILE 79 N 5.05 0.00 -0.19 5.86 5.41 -1.25 -1.80 119.36 132.44 2nnz n ILE 79 Ca 0.11 0.85 -0.05 0.00 1.00 0.00 0.00 62.75 64.66 2nnz n ILE 79 Cb 0.47 -1.83 -0.05 0.00 -0.71 0.00 0.00 39.64 37.52 2nnz n ILE 79 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2nnz n PRO 80 N -1.97 -0.20 0.00 0.38 -0.02 -1.26 0.12 135.00 132.04 2nnz n PRO 80 Ca 0.00 0.89 0.15 0.00 -2.02 0.00 0.00 63.50 62.52 2nnz n PRO 80 Cb 0.00 -1.32 0.75 0.00 -0.02 0.00 0.00 33.50 32.91 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 -1.12 -0.75 2.35 -1.23 0.00 -1.26 -4.89 105.19 98.30 2nnz n GLY 81 Ca 0.01 -0.28 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.70 -1.82 -4.50 1.61 4.01 0.32 -4.94 118.16 112.14 2nnz n LYS 82 Ca 0.20 0.80 -0.34 0.00 -0.51 0.00 0.00 58.31 58.46 2nnz n LYS 82 Cb 0.22 -5.33 -0.11 0.00 -0.51 0.00 0.00 35.03 29.31 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 -2.64 3.08 0.35 7.82 0.00 -0.85 -4.78 121.76 124.75 2nnz s ALA 83 Ca 0.00 -0.85 -0.20 0.00 0.00 0.00 0.00 51.96 50.92 2nnz s ALA 83 Cb 0.00 -1.38 -0.10 0.00 0.00 0.00 0.00 23.12 21.64 2nnz s ALA 83 CO 0.00 0.50 0.85 0.42 0.00 0.00 0.00 175.76 177.53 2nnz s ILE 84 N -0.57 4.48 0.04 0.00 1.01 -1.24 -0.04 121.20 124.87 2nnz s ILE 84 Ca 0.09 1.33 -0.05 0.00 0.00 0.00 0.00 60.65 62.02 2nnz s ILE 84 Cb -0.12 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 2nnz s ILE 84 CO 0.02 -0.14 0.08 0.00 0.00 0.00 0.00 174.94 174.89 2nnz s LEU 86 N -2.19 3.70 -0.12 0.00 1.43 -1.17 -3.89 118.68 116.44 2nnz s LEU 86 Ca -0.04 -0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 2nnz s LEU 86 Cb -0.01 -2.25 0.04 0.00 0.03 0.00 0.00 46.19 44.01 2nnz s LEU 86 CO -0.05 -0.01 0.03 -0.36 0.23 0.00 0.00 176.35 176.20 2nnz s PHE 87 N -2.07 0.62 -0.01 0.29 0.08 -1.26 -4.20 117.98 111.44 2nnz s PHE 87 Ca 0.32 -0.34 0.14 0.00 0.12 0.00 0.00 56.93 57.17 2nnz s PHE 87 Cb -0.08 -0.81 0.24 0.00 -0.57 0.00 0.00 43.02 41.80 2nnz s PHE 87 CO 0.24 -0.43 1.10 1.19 -0.10 0.00 0.00 175.22 177.22 2nnz n PHE 88 N 5.16 0.00 -0.93 0.36 3.01 -1.26 -4.29 117.46 119.50 2nnz n PHE 88 Ca -0.07 -0.31 0.00 0.00 1.01 0.00 0.00 57.45 58.08 2nnz n PHE 88 Cb 0.49 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 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 0.22 -0.01 2.88 1.37 0.00 -1.26 -5.02 105.19 103.37 2nnz n GLY 89 Ca 0.04 -1.20 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 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 -3.97 1.61 0.00 -1.26 -4.90 118.16 109.63 2nnz n LYS 90 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 2nnz n LYS 90 Cb 0.00 -0.97 -0.02 0.00 -0.00 0.00 0.00 35.03 34.04 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 -1.94 0.00 0.55 0.58 -4.23 -1.26 -4.35 115.64 105.00 2nnz s THR 91 Ca 0.30 -1.34 0.37 0.00 -1.18 0.00 0.00 61.69 59.84 2nnz s THR 91 Cb 0.09 -2.63 0.55 0.00 1.34 0.00 0.00 72.50 71.85 2nnz s THR 91 CO 0.55 0.00 1.37 -2.65 -0.54 0.00 0.00 174.62 173.35 2nnz n PRO 92 N -0.52 0.01 -2.70 3.99 -0.01 -1.26 -0.20 135.00 134.30 2nnz n PRO 92 Ca -0.03 1.01 -0.19 0.00 -0.01 0.00 0.00 63.50 64.28 2nnz n PRO 92 Cb 0.61 -2.41 0.00 0.00 -0.01 0.00 0.00 33.50 31.69 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 -3.50 1.58 0.00 4.25 -0.00 -1.26 -4.97 119.36 115.46 2nnz n ILE 93 Ca 0.33 -4.24 0.00 0.00 -0.00 0.00 0.00 62.75 58.84 2nnz n ILE 93 Cb 1.71 -0.40 0.00 0.00 -0.00 0.00 0.00 39.64 40.95 2nnz n ILE 93 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2nnz n SER 94 N -0.19 0.00 0.00 4.38 3.41 0.72 -4.23 113.62 117.71 2nnz n SER 94 Ca 0.25 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.47 2nnz n SER 94 Cb 0.69 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 2nnz n SER 94 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2nnz n ASP 95 N -0.99 0.00 0.00 4.04 2.03 -1.26 -0.25 116.55 120.12 2nnz n ASP 95 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2nnz n ASP 95 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2nnz n ASP 95 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2nnz n ASP 96 N 4.20 0.23 -2.22 1.67 2.03 -1.26 -5.08 116.55 116.12 2nnz n ASP 96 Ca 0.00 -0.57 -0.11 0.00 0.52 0.00 0.00 54.79 54.63 2nnz n ASP 96 Cb 0.00 0.57 -0.04 0.00 -0.72 0.00 0.00 41.12 40.93 2nnz n ASP 96 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2nnz n LYS 97 N -0.57 0.23 -4.01 -0.67 4.76 0.65 -5.15 118.16 113.41 2nnz n LYS 97 Ca 0.00 -1.81 -0.34 0.00 -2.87 0.00 0.00 58.31 53.29 2nnz n LYS 97 Cb 0.01 1.48 -0.15 0.00 -1.84 0.00 0.00 35.03 34.54 2nnz n LYS 97 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2nnz s ILE 98 N -2.73 2.65 -0.35 -0.18 1.01 -1.26 -4.08 121.20 116.27 2nnz s ILE 98 Ca 0.22 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.92 2nnz s ILE 98 Cb 0.01 -2.28 0.10 0.00 0.01 0.00 0.00 42.46 40.30 2nnz s ILE 98 CO 0.15 0.31 0.07 -0.60 0.00 0.00 0.00 174.94 174.87 2nnz s ARG 99 N 1.32 1.41 0.28 2.79 3.52 -1.26 -4.71 118.95 122.29 2nnz s ARG 99 Ca 0.02 -1.82 0.08 0.00 -0.13 0.00 0.00 55.73 53.87 2nnz s ARG 99 Cb -0.16 -3.06 0.39 0.00 -1.56 0.00 0.00 34.95 30.57 2nnz s ARG 99 CO -0.07 -0.96 1.65 -1.00 -0.81 0.00 0.00 175.30 174.11 2nnz h PRO 100 N 7.61 0.15 0.00 5.12 0.13 -1.97 -3.39 132.00 139.65 2nnz h PRO 100 Ca -0.05 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2nnz h PRO 100 Cb 1.01 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2nnz h PRO 100 CO 0.52 0.64 0.00 0.00 -0.23 0.00 0.00 178.00 178.93 2nnz n ALA 101 N -2.46 0.00 0.37 -0.56 0.00 -1.26 -4.92 120.51 111.68 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 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.01 0.87 -2.69 0.00 3.41 -1.26 -4.74 113.62 109.20 2nnz n SER 102 Ca 0.00 -0.93 -0.06 0.00 -0.26 0.00 0.00 58.87 57.62 2nnz n SER 102 Cb 0.00 0.64 0.07 0.00 -0.26 0.00 0.00 64.21 64.66 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 -0.58 -2.88 -2.44 7.33 0.00 -1.26 -4.68 120.51 116.01 2nnz n ALA 103 Ca 0.03 -0.65 -0.32 0.00 0.00 0.00 0.00 53.44 52.50 2nnz n ALA 103 Cb 0.16 -2.64 -0.14 0.00 0.00 0.00 0.00 19.45 16.83 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 0.28 2.76 0.40 0.00 -7.23 0.16 -3.84 120.40 112.94 2nnz s VAL 104 Ca 0.27 -0.96 -0.17 0.00 -1.81 0.00 0.00 61.98 59.31 2nnz s VAL 104 Cb 0.22 -2.09 -0.10 0.00 0.56 0.00 0.00 36.38 34.97 2nnz s VAL 104 CO -0.13 0.50 0.87 0.20 -0.31 0.00 0.00 175.10 176.22 2nnz s ASN 105 N -0.95 6.81 -1.08 4.85 0.02 -0.32 0.86 114.94 125.12 2nnz s ASN 105 Ca 0.12 1.49 -0.19 0.00 -1.02 0.00 0.00 52.86 53.26 2nnz s ASN 105 Cb -0.10 -2.46 0.09 0.00 0.02 0.00 0.00 41.25 38.80 2nnz s ASN 105 CO 0.02 -0.34 1.42 -0.69 0.02 0.00 0.00 177.10 177.53 2nnz s VAL 106 N -2.19 4.34 -1.34 1.60 1.01 -1.26 -0.22 120.40 122.34 2nnz s VAL 106 Ca 0.58 -1.49 0.00 0.00 0.00 0.00 0.00 61.98 61.07 2nnz s VAL 106 Cb -0.10 -4.99 0.00 0.00 0.00 0.00 0.00 36.38 31.29 2nnz s VAL 106 CO 0.18 -1.79 0.40 0.00 0.00 0.00 0.00 175.10 173.89 2nnz n ILE 107 N 6.08 0.00 0.00 2.22 0.00 -0.93 -4.70 119.36 122.03 2nnz n ILE 107 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 62.75 63.09 2nnz n ILE 107 Cb 0.48 -0.26 0.00 0.00 0.00 0.00 0.00 39.64 39.86 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 0.17 0.22 3.64 4.50 0.00 -1.11 -4.07 105.19 108.52 2nnz n GLY 108 Ca 0.00 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 43.99 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 1.54 -0.35 1.61 0.52 -1.24 0.58 118.95 121.62 2nnz s ARG 109 Ca 0.00 -1.00 -0.19 0.00 -0.52 0.00 0.00 55.73 54.02 2nnz s ARG 109 Cb 0.00 0.53 -0.00 0.00 0.52 0.00 0.00 34.95 36.00 2nnz s ARG 109 CO 0.00 -0.67 0.55 0.42 0.02 0.00 0.00 175.30 175.62 2nnz s ILE 110 N -3.92 4.98 0.00 1.52 1.09 -1.20 -1.98 121.20 121.69 2nnz s ILE 110 Ca 0.13 0.42 0.00 0.00 -1.10 0.00 0.00 60.65 60.10 2nnz s ILE 110 Cb -0.02 -4.00 0.00 0.00 -1.06 0.00 0.00 42.46 37.38 2nnz s ILE 110 CO 0.03 -0.25 0.59 1.33 -0.10 0.00 0.00 174.94 176.55 2nnz n VAL 111 N 5.47 0.00 -2.08 2.92 0.24 -1.20 -4.09 118.33 119.60 2nnz n VAL 111 Ca -0.04 1.09 -0.38 0.00 -2.04 0.00 0.00 64.34 62.98 2nnz n VAL 111 Cb 0.49 -1.88 -0.03 0.00 -1.47 0.00 0.00 33.84 30.94 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 -2.42 5.33 0.64 -1.34 2.20 -1.26 -4.81 114.94 113.27 2nnz s ASN 112 Ca 0.00 0.20 0.41 0.00 -0.94 0.00 0.00 52.86 52.53 2nnz s ASN 112 Cb 0.00 -2.53 2.16 0.00 -2.00 0.00 0.00 41.25 38.88 2nnz s ASN 112 CO 0.00 -2.37 2.28 -1.28 -2.94 0.00 0.00 177.10 172.79 2nnz h SER 113 N 14.34 0.00 -0.17 3.54 0.87 -1.99 -2.34 113.55 127.80 2nnz h SER 113 Ca -0.23 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.38 2nnz h SER 113 Cb 1.14 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 2nnz h SER 113 CO 1.22 0.00 0.26 0.24 -0.53 0.00 0.00 176.83 178.03 2nnz h MET 114 N 0.00 0.00 -5.89 2.24 2.86 -1.94 -3.38 114.93 108.82 2nnz h MET 114 Ca -0.00 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 57.18 2nnz h MET 114 Cb 0.12 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 2nnz h MET 114 CO 0.00 0.00 1.27 -1.21 1.06 0.00 0.00 176.91 178.03 2nnz s GLU 115 N -4.45 2.53 -0.51 1.72 0.41 -0.88 -4.84 118.70 112.67 2nnz s GLU 115 Ca -0.04 0.57 -0.03 0.00 -0.41 0.00 0.00 54.97 55.06 2nnz s GLU 115 Cb 0.14 -4.51 0.20 0.00 -1.78 0.00 0.00 34.13 28.17 2nnz s GLU 115 CO 0.47 -2.92 2.35 0.41 -0.49 0.00 0.00 175.26 175.08 2nnz n GLY 116 N 5.92 4.67 0.54 -1.39 0.00 -1.26 -4.71 105.19 108.96 2nnz n GLY 116 Ca 0.25 -1.82 0.41 0.00 0.00 0.00 0.00 46.02 44.86 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 3.14 0.15 -1.24 0.99 6.46 -1.89 0.65 115.31 123.57 2nnz h LEU 117 Ca 0.42 0.08 0.27 0.00 -0.12 0.00 0.00 57.88 58.53 2nnz h LEU 117 Cb 0.68 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.64 2nnz h LEU 117 CO 1.03 -0.10 1.09 0.07 -0.62 0.00 0.00 178.44 179.91 2nnz h LYS 118 N 0.06 0.00 -1.22 1.25 5.09 -1.86 0.32 116.57 120.21 2nnz h LYS 118 Ca 0.81 0.00 -0.29 0.00 0.09 0.00 0.00 60.65 61.26 2nnz h LYS 118 Cb 2.83 0.00 -0.15 0.00 0.10 0.00 0.00 32.23 35.01 2nnz h LYS 118 CO -0.25 0.00 0.37 0.41 -2.09 0.00 0.00 179.45 177.89 2nnz n GLY 119 N -1.68 3.63 3.80 0.07 0.00 0.22 -4.69 105.19 106.54 2nnz n GLY 119 Ca 0.21 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.94 3.86 0.38 1.61 -7.23 0.11 -5.03 120.40 112.16 2nnz s VAL 120 Ca 0.30 0.91 -0.24 0.00 -1.81 0.00 0.00 61.98 61.14 2nnz s VAL 120 Cb 0.24 -3.42 -0.09 0.00 0.56 0.00 0.00 36.38 33.67 2nnz s VAL 120 CO 0.03 -0.48 1.01 0.00 -0.31 0.00 0.00 175.10 175.35 2nnz s ALA 121 N -2.40 3.12 -0.26 1.32 0.00 -1.26 -4.92 121.76 117.35 2nnz s ALA 121 Ca 0.64 0.63 -0.31 0.00 0.00 0.00 0.00 51.96 52.92 2nnz s ALA 121 Cb -0.16 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 2nnz s ALA 121 CO 0.34 -0.08 2.21 -0.40 0.00 0.00 0.00 175.76 177.83 2nnz n ASP 122 N 0.07 2.84 -1.76 0.00 5.75 -1.26 -4.10 116.55 118.09 2nnz n ASP 122 Ca 0.04 0.29 -0.01 0.00 -0.01 0.00 0.00 54.79 55.09 2nnz n ASP 122 Cb 0.50 -1.45 -0.01 0.00 -1.03 0.00 0.00 41.12 39.13 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 6.05 -3.78 3.35 6.12 0.00 -1.25 -4.96 105.19 110.72 2nnz n GLY 123 Ca 0.34 0.17 -0.15 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.06 0.82 1.00 1.61 -1.05 -1.22 -5.00 118.70 113.79 2nnz s GLU 124 Ca -0.07 -0.02 -0.16 0.00 -0.15 0.00 0.00 54.97 54.56 2nnz s GLU 124 Cb 0.00 0.38 -0.03 0.00 -0.44 0.00 0.00 34.13 34.04 2nnz s GLU 124 CO 0.20 -0.24 -0.19 0.45 0.95 0.00 0.00 175.26 176.42 2nnz n SER 125 N 1.13 -3.33 -3.65 0.83 2.88 -1.26 -2.09 113.62 108.12 2nnz n SER 125 Ca -0.21 0.18 -0.07 0.00 -1.33 0.00 0.00 58.87 57.44 2nnz n SER 125 Cb 0.56 -0.97 -0.08 0.00 -0.75 0.00 0.00 64.21 62.98 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 -2.22 -0.13 -0.26 2.46 1.01 0.60 -4.33 120.40 117.54 2nnz s VAL 126 Ca 0.50 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.51 2nnz s VAL 126 Cb -0.16 -0.91 0.07 0.00 0.00 0.00 0.00 36.38 35.38 2nnz s VAL 126 CO 0.71 0.01 -0.02 0.68 0.00 0.00 0.00 175.10 176.49 2nnz s VAL 127 N 1.75 1.49 -0.05 2.92 -7.23 -1.24 0.12 120.40 118.15 2nnz s VAL 127 Ca -0.09 -1.36 -0.27 0.00 -1.81 0.00 0.00 61.98 58.45 2nnz s VAL 127 Cb -0.07 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 2nnz s VAL 127 CO -0.18 -0.24 0.88 -0.69 -0.31 0.00 0.00 175.10 174.56 2nnz s VAL 128 N 1.38 4.91 -0.20 1.32 1.01 -0.76 -3.76 120.40 124.30 2nnz s VAL 128 Ca -0.01 1.83 -0.10 0.00 0.00 0.00 0.00 61.98 63.69 2nnz s VAL 128 Cb -0.19 -4.22 0.07 0.00 0.00 0.00 0.00 36.38 32.05 2nnz s VAL 128 CO -0.09 0.15 0.47 -1.83 0.00 0.00 0.00 175.10 173.80 2nnz s GLU 129 N 1.21 0.44 -0.97 2.72 -1.05 -0.53 -0.95 118.70 119.57 2nnz s GLU 129 Ca 0.46 0.94 -0.24 0.00 -0.15 0.00 0.00 54.97 55.98 2nnz s GLU 129 Cb -0.19 0.10 0.01 0.00 -0.44 0.00 0.00 34.13 33.61 2nnz s GLU 129 CO 0.22 -0.17 1.66 0.50 0.95 0.00 0.00 175.26 178.42 2nnz s ARG 130 N 1.71 3.15 0.00 -4.83 3.00 -1.26 0.12 118.95 120.83 2nnz s ARG 130 Ca -0.08 -0.77 0.00 0.00 -1.00 0.00 0.00 55.73 53.88 2nnz s ARG 130 Cb -0.09 -5.23 0.00 0.00 0.00 0.00 0.00 34.95 29.63 2nnz s ARG 130 CO -0.14 -2.71 0.00 0.00 0.00 0.00 0.00 175.30 172.44