#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 1.19 7.00 3.03 0.00 -1.26 -5.10 105.19 110.04 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 0.00 -1.56 1.61 1.02 -1.26 -4.86 120.64 115.59 2nnz n GLU 3 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 2nnz n GLU 3 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 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 -0.02 -1.48 0.00 3.49 5.12 -1.26 -3.91 116.66 118.60 2nnz n ARG 4 Ca 0.00 1.18 0.00 0.00 -1.93 0.00 0.00 57.85 57.10 2nnz n ARG 4 Cb 0.00 -5.56 0.00 0.00 -1.16 0.00 0.00 32.46 25.74 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 -0.32 0.32 2.79 -0.13 0.00 -1.26 -5.03 105.19 101.56 2nnz n GLY 5 Ca -0.19 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 4.16 -2.46 1.61 0.24 -1.25 -4.16 118.33 116.47 2nnz n VAL 6 Ca 0.00 -5.71 -0.03 0.00 -2.04 0.00 0.00 64.34 56.56 2nnz n VAL 6 Cb 0.00 -1.57 0.06 0.00 -1.47 0.00 0.00 33.84 30.86 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 0.04 0.91 -3.71 7.34 -0.58 -1.23 -4.61 120.64 118.80 2nnz n GLU 7 Ca 0.36 -1.27 -0.38 0.00 -0.42 0.00 0.00 57.16 55.44 2nnz n GLU 7 Cb 0.35 0.34 -0.12 0.00 -0.57 0.00 0.00 31.44 31.44 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 -0.11 3.13 0.02 3.49 1.75 -1.22 -4.94 119.30 121.43 2nnz s MET 8 Ca 0.08 -0.84 0.04 0.00 -1.25 0.00 0.00 55.69 53.71 2nnz s MET 8 Cb 0.30 -3.47 -0.03 0.00 2.84 0.00 0.00 34.83 34.46 2nnz s MET 8 CO -0.08 -0.47 -0.07 -0.98 -0.65 0.00 0.00 175.02 172.77 2nnz s ARG 9 N 1.54 2.48 0.34 4.11 1.04 -1.26 -0.51 118.95 126.68 2nnz s ARG 9 Ca 0.03 -0.78 0.09 0.00 -1.04 0.00 0.00 55.73 54.03 2nnz s ARG 9 Cb -0.17 -2.47 -0.06 0.00 -2.04 0.00 0.00 34.95 30.21 2nnz s ARG 9 CO 0.04 0.58 -0.03 -0.48 -0.04 0.00 0.00 175.30 175.37 2nnz s LEU 10 N -1.57 2.89 -0.01 -1.89 2.34 0.00 -4.38 118.68 116.06 2nnz s LEU 10 Ca 0.18 -1.05 0.01 0.00 0.06 0.00 0.00 54.13 53.33 2nnz s LEU 10 Cb -0.11 -1.24 -0.03 0.00 -0.56 0.00 0.00 46.19 44.25 2nnz s LEU 10 CO 0.09 -0.21 -0.01 -0.60 -1.06 0.00 0.00 176.35 174.56 2nnz s ARG 11 N -3.67 2.77 -0.28 1.48 3.00 0.30 -2.63 118.95 119.92 2nnz s ARG 11 Ca 0.34 -0.60 -0.03 0.00 -1.00 0.00 0.00 55.73 54.44 2nnz s ARG 11 Cb 0.00 -2.65 0.11 0.00 0.00 0.00 0.00 34.95 32.41 2nnz s ARG 11 CO 0.18 0.63 0.18 0.42 0.00 0.00 0.00 175.30 176.72 2nnz s ILE 12 N -1.03 -0.19 0.18 4.11 1.01 -0.95 -1.51 121.20 122.82 2nnz s ILE 12 Ca 0.18 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.26 2nnz s ILE 12 Cb -0.11 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 2nnz s ILE 12 CO 0.08 -0.60 0.24 0.00 0.00 0.00 0.00 174.94 174.66 2nnz s ARG 13 N 2.19 3.21 -0.01 2.79 1.70 -1.25 -2.59 118.95 124.99 2nnz s ARG 13 Ca 0.09 -0.76 0.01 0.00 -0.47 0.00 0.00 55.73 54.60 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 -0.33 0.48 -0.04 -0.06 -1.08 0.00 0.00 175.30 174.27 2nnz s PHE 14 N -1.82 0.45 0.56 5.89 0.40 0.38 -3.79 117.98 120.06 2nnz s PHE 14 Ca 0.33 -0.08 0.43 0.00 -0.60 0.00 0.00 56.93 57.01 2nnz s PHE 14 Cb -0.10 -0.33 1.58 0.00 0.51 0.00 0.00 43.02 44.68 2nnz s PHE 14 CO 0.27 -0.04 1.60 0.93 0.70 0.00 0.00 175.22 178.68 2nnz h GLU 15 N 6.27 0.00 0.00 0.44 3.07 -1.95 0.51 114.58 122.92 2nnz h GLU 15 Ca -0.30 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.55 2nnz h GLU 15 Cb 1.18 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.07 2nnz h GLU 15 CO 0.50 0.00 -0.24 -1.13 -1.40 0.00 0.00 179.01 176.74 2nnz n SER 16 N -3.89 1.80 -3.62 1.42 3.41 -1.26 -5.06 113.62 106.43 2nnz n SER 16 Ca 0.36 -3.06 -0.05 0.00 -0.26 0.00 0.00 58.87 55.86 2nnz n SER 16 Cb 1.72 -0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 65.22 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 -2.40 -2.06 0.00 7.33 0.00 0.18 -4.88 121.76 119.93 2nnz s ALA 17 Ca 0.29 1.76 0.06 0.00 0.00 0.00 0.00 51.96 54.07 2nnz s ALA 17 Cb 0.27 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 2nnz s ALA 17 CO -0.01 -0.32 -0.18 -1.83 0.00 0.00 0.00 175.76 173.42 2nnz s GLU 18 N -1.29 1.35 -0.11 0.00 -1.05 -1.26 0.14 118.70 116.48 2nnz s GLU 18 Ca 0.06 -0.69 -0.30 0.00 -0.15 0.00 0.00 54.97 53.89 2nnz s GLU 18 Cb -0.01 -1.34 0.09 0.00 -0.44 0.00 0.00 34.13 32.44 2nnz s GLU 18 CO -0.05 0.36 0.82 0.00 0.95 0.00 0.00 175.26 177.34 2nnz s GLU 20 N -1.00 1.34 -0.09 0.00 2.02 -1.26 -2.25 118.70 117.46 2nnz s GLU 20 Ca -0.06 -1.60 -0.17 0.00 0.02 0.00 0.00 54.97 53.17 2nnz s GLU 20 Cb -0.01 -1.12 0.04 0.00 0.10 0.00 0.00 34.13 33.14 2nnz s GLU 20 CO 0.06 0.18 0.41 0.54 0.02 0.00 0.00 175.26 176.47 2nnz s VAL 21 N -2.97 0.02 0.58 2.63 0.11 -1.08 -3.90 120.40 115.79 2nnz s VAL 21 Ca 0.23 -0.18 0.04 0.00 -2.93 0.00 0.00 61.98 59.13 2nnz s VAL 21 Cb -0.01 -0.65 0.11 0.00 -1.53 0.00 0.00 36.38 34.30 2nnz s VAL 21 CO 0.07 -0.10 0.79 -0.62 -3.33 0.00 0.00 175.10 171.91 2nnz n GLU 22 N 2.02 0.31 -3.73 1.54 1.02 -0.75 -0.82 120.64 120.24 2nnz n GLU 22 Ca -0.17 -2.57 -0.14 0.00 -0.02 0.00 0.00 57.16 54.26 2nnz n GLU 22 Cb 0.57 -0.40 -0.09 0.00 -0.02 0.00 0.00 31.44 31.50 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 0.60 0.05 -4.62 2.96 0.33 -3.73 118.68 114.27 2nnz s LEU 23 Ca 0.56 0.36 0.06 0.00 -0.22 0.00 0.00 54.13 54.89 2nnz s LEU 23 Cb -0.04 1.42 -0.03 0.00 0.50 0.00 0.00 46.19 48.05 2nnz s LEU 23 CO 0.36 -0.37 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.55 2nnz s TYR 24 N -0.86 1.41 -1.05 5.38 2.02 -1.26 -3.40 117.35 119.59 2nnz s TYR 24 Ca -0.09 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 2nnz s TYR 24 Cb -0.04 -0.82 0.00 0.00 -0.40 0.00 0.00 41.96 40.70 2nnz s TYR 24 CO 0.04 0.07 0.93 0.39 -1.57 0.00 0.00 175.55 175.41 2nnz n GLU 25 N 1.67 0.00 -0.42 -0.62 1.02 -1.26 -3.15 120.64 117.88 2nnz n GLU 25 Ca -0.19 0.43 0.40 0.00 -0.02 0.00 0.00 57.16 57.78 2nnz n GLU 25 Cb 0.54 -1.52 0.76 0.00 -0.02 0.00 0.00 31.44 31.20 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 0.80 114.58 121.04 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 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2nnz h GLU 26 CO 0.00 0.00 -0.00 2.35 0.07 0.00 0.00 179.01 181.43 2nnz h TRP 27 N 0.00 -0.00 0.00 2.06 -0.00 -1.84 -3.45 115.95 112.72 2nnz h TRP 27 Ca 0.66 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.55 2nnz h TRP 27 Cb 2.73 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.89 2nnz h TRP 27 CO 0.00 0.36 0.00 0.00 -0.00 0.00 0.00 178.44 178.80 2nnz n ALA 28 N -2.72 0.00 -0.38 2.65 0.00 0.28 -4.76 120.51 115.57 2nnz n ALA 28 Ca -0.04 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.71 2nnz n ALA 28 Cb 0.17 0.00 0.60 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 0.21 -0.04 0.00 0.10 -1.93 0.05 132.00 130.40 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 -0.05 -0.00 0.00 0.10 0.00 0.00 31.00 31.05 2nnz h PRO 29 CO 0.00 0.14 0.02 1.49 0.10 0.00 0.00 178.00 179.75 2nnz h GLU 30 N 0.22 0.05 -0.44 1.05 4.22 -1.95 -2.88 114.58 114.85 2nnz h GLU 30 Ca 0.69 -0.00 -0.03 0.00 0.08 0.00 0.00 59.36 60.09 2nnz h GLU 30 Cb 2.06 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.28 2nnz h GLU 30 CO -0.31 0.07 0.14 1.79 -2.18 0.00 0.00 179.01 178.52 2nnz h THR 31 N 0.02 1.22 -1.13 0.32 1.35 -1.38 -2.60 112.91 110.71 2nnz h THR 31 Ca 0.01 -0.72 0.31 0.00 -0.55 0.00 0.00 66.41 65.47 2nnz h THR 31 Cb 0.03 0.86 -0.09 0.00 -1.73 0.00 0.00 68.15 67.22 2nnz h THR 31 CO -0.00 0.26 0.75 0.58 -0.25 0.00 0.00 175.52 176.85 2nnz h VAL 32 N 0.57 0.43 -0.70 6.82 2.07 -1.27 0.39 116.25 124.55 2nnz h VAL 32 Ca 0.14 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.58 2nnz h VAL 32 Cb 0.25 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 2nnz h VAL 32 CO -0.01 0.04 0.46 -0.09 0.02 0.00 0.00 177.57 178.00 2nnz h ARG 33 N 0.25 0.93 -0.14 1.57 2.43 -1.25 -2.16 114.38 116.00 2nnz h ARG 33 Ca 0.62 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.70 2nnz h ARG 33 Cb 1.87 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 31.21 2nnz h ARG 33 CO -0.24 0.62 -0.03 0.00 -1.51 0.00 0.00 179.97 178.81 2nnz h ALA 34 N 1.56 0.20 -0.12 2.80 0.00 -0.33 -0.43 119.26 122.93 2nnz h ALA 34 Ca 0.26 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2nnz h ALA 34 Cb -0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2nnz h ALA 34 CO -0.05 -0.06 -0.14 0.82 0.00 0.00 0.00 179.25 179.82 2nnz h ILE 35 N -0.03 0.62 0.00 0.00 1.08 -1.36 0.35 117.51 118.17 2nnz h ILE 35 Ca 0.04 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.48 2nnz h ILE 35 Cb 0.45 0.62 -0.00 0.00 -3.07 0.00 0.00 36.82 34.81 2nnz h ILE 35 CO 0.01 0.00 -0.11 0.00 -0.69 0.00 0.00 178.15 177.37 2nnz h ALA 36 N 0.87 1.70 0.00 1.87 0.00 -1.38 -0.53 119.26 121.79 2nnz h ALA 36 Ca 0.09 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 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 -0.23 0.13 -0.33 0.22 0.00 0.00 0.00 179.25 179.05 2nnz h ASP 37 N 0.00 0.00 -1.73 0.00 3.58 0.76 -3.22 116.42 115.81 2nnz h ASP 37 Ca -0.00 0.00 -0.70 0.00 0.42 0.00 0.00 57.03 56.75 2nnz h ASP 37 Cb 0.20 0.00 -0.24 0.00 1.72 0.00 0.00 39.33 41.01 2nnz h ASP 37 CO 0.01 0.33 0.94 0.00 -2.88 0.00 0.00 179.24 177.65 2nnz n ALA 38 N -2.30 6.48 -1.00 -0.78 0.00 -0.21 -5.00 120.51 117.70 2nnz n ALA 38 Ca -0.01 -3.88 0.00 0.00 0.00 0.00 0.00 53.44 49.56 2nnz n ALA 38 Cb 0.46 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 0.00 0.00 -1.95 0.00 4.77 -1.22 -4.54 117.00 114.07 2nnz n LEU 39 Ca 0.52 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 56.28 2nnz n LEU 39 Cb 0.32 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 2nnz n LEU 39 CO 0.47 -0.44 0.88 -2.65 -1.33 0.00 0.00 177.39 174.31 2nnz n PRO 40 N 0.00 0.00 -3.83 3.23 -0.02 -0.40 -4.51 135.00 129.46 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 -0.67 -0.09 0.00 -0.02 0.00 0.00 33.50 32.72 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 3.32 0.08 0.05 4.25 1.01 -0.38 -4.96 121.20 124.57 2nnz s ILE 41 Ca 0.57 -0.65 -0.24 0.00 0.00 0.00 0.00 60.65 60.33 2nnz s ILE 41 Cb -0.62 -0.57 -0.06 0.00 0.01 0.00 0.00 42.46 41.23 2nnz s ILE 41 CO 0.26 -0.36 0.72 -0.54 0.00 0.00 0.00 174.94 175.02 2nnz s LYS 42 N -1.55 4.45 -0.00 2.79 1.02 -1.26 -1.97 119.74 123.22 2nnz s LYS 42 Ca -0.13 0.99 -0.06 0.00 0.02 0.00 0.00 55.97 56.79 2nnz s LYS 42 Cb -0.06 -3.34 -0.00 0.00 -0.52 0.00 0.00 37.83 33.91 2nnz s LYS 42 CO 0.02 0.36 0.12 -1.54 -0.92 0.00 0.00 175.35 173.38 2nnz s SER 43 N -0.29 0.04 -0.21 2.83 1.04 0.31 -4.89 113.70 112.52 2nnz s SER 43 Ca 0.36 -0.20 -0.09 0.00 0.48 0.00 0.00 55.95 56.50 2nnz s SER 43 Cb -0.20 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 2nnz s SER 43 CO 0.22 -0.33 0.11 -0.89 0.98 0.00 0.00 173.24 173.33 2nnz s THR 44 N -1.25 5.07 -0.04 2.02 2.01 -1.26 -0.04 115.64 122.14 2nnz s THR 44 Ca -0.13 0.07 -0.21 0.00 0.31 0.00 0.00 61.69 61.73 2nnz s THR 44 Cb -0.07 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 2nnz s THR 44 CO 0.01 0.40 0.60 0.00 -0.69 0.00 0.00 174.62 174.94 2nnz s ALA 45 N 0.77 3.45 -0.25 7.40 0.00 -0.91 -4.29 121.76 127.92 2nnz s ALA 45 Ca 0.06 0.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.94 2nnz s ALA 45 Cb -0.13 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 2nnz s ALA 45 CO 0.02 0.07 0.13 -0.80 0.00 0.00 0.00 175.76 175.17 2nnz s ASN 46 N 0.22 5.68 0.00 0.00 0.01 -1.21 -3.44 114.94 116.20 2nnz s ASN 46 Ca 0.32 -0.04 -0.19 0.00 -0.71 0.00 0.00 52.86 52.23 2nnz s ASN 46 Cb -0.17 -2.03 -0.06 0.00 0.41 0.00 0.00 41.25 39.40 2nnz s ASN 46 CO 0.16 0.01 0.56 -0.13 -1.51 0.00 0.00 177.10 176.19 2nnz s ARG 47 N 1.39 4.25 -0.07 -0.60 1.81 -1.26 -3.57 118.95 120.90 2nnz s ARG 47 Ca 0.06 0.68 -0.24 0.00 -1.72 0.00 0.00 55.73 54.51 2nnz s ARG 47 Cb -0.15 -3.31 0.05 0.00 -0.45 0.00 0.00 34.95 31.09 2nnz s ARG 47 CO 0.06 0.44 0.54 -0.46 -0.68 0.00 0.00 175.30 175.20 2nnz s TRP 48 N -0.42 -0.49 -0.33 -0.53 -0.00 -0.82 -4.93 118.94 111.42 2nnz s TRP 48 Ca 0.29 0.91 -0.03 0.00 -0.00 0.00 0.00 56.10 57.27 2nnz s TRP 48 Cb -0.18 0.27 -0.11 0.00 -0.00 0.00 0.00 33.47 33.45 2nnz s TRP 48 CO 0.17 -0.48 0.98 0.41 -0.00 0.00 0.00 176.95 178.03 2nnz n GLY 49 N 1.35 -0.17 4.20 5.86 0.00 -1.26 -0.59 105.19 114.59 2nnz n GLY 49 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 3.05 0.00 -4.66 1.61 2.03 -1.26 -3.51 116.55 113.80 2nnz n ASP 50 Ca 0.22 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 55.11 2nnz n ASP 50 Cb 0.18 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.56 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 4.21 -0.11 -0.67 2.12 0.24 -4.63 118.70 119.86 2nnz s GLU 51 Ca 0.00 1.93 0.00 0.00 0.36 0.00 0.00 54.97 57.26 2nnz s GLU 51 Cb 0.00 -3.86 0.02 0.00 0.26 0.00 0.00 34.13 30.55 2nnz s GLU 51 CO 0.00 -0.77 -0.10 0.42 -0.54 0.00 0.00 175.26 174.28 2nnz s ILE 52 N 3.70 1.16 -0.05 -3.70 1.09 -1.26 -1.94 121.20 120.20 2nnz s ILE 52 Ca 0.64 -0.39 0.00 0.00 -1.10 0.00 0.00 60.65 59.81 2nnz s ILE 52 Cb -0.28 -1.13 0.02 0.00 -1.06 0.00 0.00 42.46 40.01 2nnz s ILE 52 CO 0.22 0.39 -0.03 -0.72 -0.10 0.00 0.00 174.94 174.70 2nnz s TYR 53 N 1.50 0.65 0.03 3.97 -0.85 -1.23 -2.87 117.35 118.55 2nnz s TYR 53 Ca 0.02 -0.16 0.03 0.00 -0.52 0.00 0.00 57.07 56.44 2nnz s TYR 53 Cb -0.13 -0.64 -0.02 0.00 0.38 0.00 0.00 41.96 41.55 2nnz s TYR 53 CO -0.07 -0.20 -0.10 -0.59 -1.52 0.00 0.00 175.55 173.07 2nnz s PHE 54 N 1.12 0.87 0.15 -3.49 -0.12 -1.19 -3.34 117.98 111.99 2nnz s PHE 54 Ca -0.08 -0.34 -0.12 0.00 -0.05 0.00 0.00 56.93 56.34 2nnz s PHE 54 Cb -0.14 -0.52 -0.07 0.00 -0.63 0.00 0.00 43.02 41.66 2nnz s PHE 54 CO -0.01 -0.01 0.52 0.99 -0.05 0.00 0.00 175.22 176.65 2nnz s THR 55 N -0.85 4.92 0.00 -4.49 2.01 -1.26 -3.61 115.64 112.35 2nnz s THR 55 Ca -0.02 0.67 0.00 0.00 0.31 0.00 0.00 61.69 62.65 2nnz s THR 55 Cb -0.07 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.75 2nnz s THR 55 CO 0.01 0.18 0.80 0.35 -0.69 0.00 0.00 174.62 175.26 2nnz n THR 56 N 0.60 0.61 -0.16 -0.82 -2.24 -1.26 -4.35 114.28 106.65 2nnz n THR 56 Ca -0.04 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 2nnz n THR 56 Cb 0.52 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 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 -0.31 0.00 -2.89 -0.78 1.13 -1.26 -4.99 117.38 108.29 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 0.17 -1.43 -0.04 0.00 0.11 0.00 0.00 30.24 29.04 2nnz n GLN 57 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2nnz s VAL 58 N -3.01 4.68 -0.62 5.09 0.11 -1.26 -5.00 120.40 120.39 2nnz s VAL 58 Ca 0.00 1.09 -0.10 0.00 -2.93 0.00 0.00 61.98 60.04 2nnz s VAL 58 Cb 0.00 -4.25 0.16 0.00 -1.53 0.00 0.00 36.38 30.76 2nnz s VAL 58 CO 0.00 -0.43 0.51 0.00 -3.33 0.00 0.00 175.10 171.85 2nnz s ALA 59 N 3.22 3.68 -0.25 1.54 0.00 -1.26 -4.86 121.76 123.83 2nnz s ALA 59 Ca 0.34 -2.95 -0.01 0.00 0.00 0.00 0.00 51.96 49.35 2nnz s ALA 59 Cb -0.13 -3.04 0.07 0.00 0.00 0.00 0.00 23.12 20.02 2nnz s ALA 59 CO 0.17 -2.08 0.02 0.54 0.00 0.00 0.00 175.76 174.41 2nnz s VAL 60 N 0.68 1.10 -0.06 0.00 0.11 -1.26 -5.12 120.40 115.85 2nnz s VAL 60 Ca 0.12 -1.14 0.05 0.00 -2.93 0.00 0.00 61.98 58.08 2nnz s VAL 60 Cb -0.20 -1.59 -0.01 0.00 -1.53 0.00 0.00 36.38 33.06 2nnz s VAL 60 CO -0.03 -0.32 -0.21 -1.61 -3.33 0.00 0.00 175.10 169.60 2nnz s GLU 61 N 1.56 2.26 0.18 1.54 2.02 -1.26 -4.82 118.70 120.18 2nnz s GLU 61 Ca 0.01 -0.77 -0.05 0.00 0.02 0.00 0.00 54.97 54.17 2nnz s GLU 61 Cb -0.18 -1.91 -0.02 0.00 0.10 0.00 0.00 34.13 32.12 2nnz s GLU 61 CO -0.12 0.30 0.21 0.21 0.02 0.00 0.00 175.26 175.89 2nnz s LYS 62 N -0.02 1.17 -0.72 1.61 2.47 -1.26 -5.11 119.74 117.87 2nnz s LYS 62 Ca -0.05 -1.38 -0.05 0.00 -1.56 0.00 0.00 55.97 52.93 2nnz s LYS 62 Cb -0.13 0.33 0.19 0.00 -1.46 0.00 0.00 37.83 36.75 2nnz s LYS 62 CO 0.03 -0.41 0.58 -1.21 0.16 0.00 0.00 175.35 174.50 2nnz s GLU 63 N -4.05 2.94 -0.06 4.03 2.02 -1.26 -5.01 118.70 117.31 2nnz s GLU 63 Ca 0.26 -2.63 -0.31 0.00 0.02 0.00 0.00 54.97 52.30 2nnz s GLU 63 Cb 0.05 -3.94 0.11 0.00 0.10 0.00 0.00 34.13 30.45 2nnz s GLU 63 CO 0.05 -1.22 1.02 -2.00 0.02 0.00 0.00 175.26 173.13 2nnz s GLU 64 N -0.22 0.64 0.26 1.61 2.12 -1.26 -5.04 118.70 116.81 2nnz s GLU 64 Ca 0.19 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.27 2nnz s GLU 64 Cb -0.16 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.52 2nnz s GLU 64 CO -0.06 -0.28 0.00 -1.71 -0.54 0.00 0.00 175.26 172.67 2nnz n ASN 65 N -0.21 0.00 -1.92 -1.70 2.85 -1.26 -4.85 115.26 108.17 2nnz n ASN 65 Ca -0.05 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.31 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 1.92 -2.49 -4.94 1.20 7.64 -1.26 -4.93 113.62 110.76 2nnz n SER 66 Ca 0.00 0.02 -0.26 0.00 1.01 0.00 0.00 58.87 59.64 2nnz n SER 66 Cb 0.00 -0.67 -0.03 0.00 -1.01 0.00 0.00 64.21 62.50 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 -0.82 3.42 0.00 1.43 0.00 0.19 -4.52 119.74 119.44 2nnz s LYS 67 Ca 0.11 -0.62 0.00 0.00 0.00 0.00 0.00 55.97 55.45 2nnz s LYS 67 Cb -0.01 -2.95 0.00 0.00 0.00 0.00 0.00 37.83 34.87 2nnz s LYS 67 CO 0.24 0.51 0.60 -0.40 0.00 0.00 0.00 175.35 176.30 2nnz n ASP 68 N -0.63 1.19 -3.94 0.03 5.68 -1.26 -0.15 116.55 117.46 2nnz n ASP 68 Ca -0.07 -1.21 -0.14 0.00 -0.50 0.00 0.00 54.79 52.87 2nnz n ASP 68 Cb 0.54 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.38 2nnz n ASP 68 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2nnz s VAL 69 N -0.21 0.29 0.10 2.12 1.01 -1.26 -4.55 120.40 117.90 2nnz s VAL 69 Ca 0.00 -0.25 -0.23 0.00 0.00 0.00 0.00 61.98 61.50 2nnz s VAL 69 Cb 0.00 -0.27 0.06 0.00 0.00 0.00 0.00 36.38 36.17 2nnz s VAL 69 CO 0.00 0.02 0.56 0.68 0.00 0.00 0.00 175.10 176.36 2nnz s VAL 70 N -0.24 0.02 0.07 2.92 -7.23 -1.26 -5.11 120.40 109.57 2nnz s VAL 70 Ca -0.00 -0.15 -0.03 0.00 -1.81 0.00 0.00 61.98 59.99 2nnz s VAL 70 Cb -0.02 -1.02 -0.05 0.00 0.56 0.00 0.00 36.38 35.85 2nnz s VAL 70 CO -0.00 -0.08 0.27 -1.61 -0.31 0.00 0.00 175.10 173.36 2nnz s GLU 71 N -3.05 3.52 0.00 4.82 2.02 -1.26 -4.91 118.70 119.83 2nnz s GLU 71 Ca -0.02 -0.26 -0.39 0.00 0.02 0.00 0.00 54.97 54.31 2nnz s GLU 71 Cb -0.00 -2.99 -0.19 0.00 0.10 0.00 0.00 34.13 31.04 2nnz s GLU 71 CO -0.07 0.58 1.18 -0.11 0.02 0.00 0.00 175.26 176.87 2nnz n LEU 72 N 0.43 0.58 0.00 1.80 7.94 -1.26 -2.50 117.00 123.99 2nnz n LEU 72 Ca -0.06 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 2nnz n LEU 72 Cb 0.52 -1.00 0.00 0.00 0.53 0.00 0.00 43.42 43.46 2nnz n LEU 72 CO 0.48 -1.58 0.00 0.61 -1.11 0.00 0.00 177.39 175.79 2nnz n GLY 73 N 1.96 1.52 3.87 -3.96 0.00 -1.26 -5.10 105.19 102.21 2nnz n GLY 73 Ca 0.20 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.36 6.37 0.16 1.61 1.47 -1.04 -2.98 116.67 121.90 2nnz s ASP 74 Ca 0.00 1.40 0.09 0.00 1.18 0.00 0.00 52.55 55.22 2nnz s ASP 74 Cb 0.00 -2.45 -0.04 0.00 -0.34 0.00 0.00 42.92 40.09 2nnz s ASP 74 CO 0.00 -0.72 -0.16 -0.69 0.68 0.00 0.00 175.17 174.28 2nnz s VAL 75 N -2.91 2.89 -0.00 2.11 1.01 0.16 -4.59 120.40 119.08 2nnz s VAL 75 Ca 0.55 -1.66 -0.16 0.00 0.00 0.00 0.00 61.98 60.71 2nnz s VAL 75 Cb -0.11 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 33.92 2nnz s VAL 75 CO 0.45 -0.02 0.34 0.00 0.00 0.00 0.00 175.10 175.86 2nnz s ALA 76 N -1.47 -0.83 -0.10 5.51 0.00 -1.25 -2.10 121.76 121.51 2nnz s ALA 76 Ca 0.21 0.31 -0.02 0.00 0.00 0.00 0.00 51.96 52.46 2nnz s ALA 76 Cb -0.09 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 2nnz s ALA 76 CO 0.12 -0.31 -0.01 1.52 0.00 0.00 0.00 175.76 177.08 2nnz s TYR 77 N -1.65 3.12 -0.38 0.00 -0.85 0.78 -2.64 117.35 115.74 2nnz s TYR 77 Ca -0.11 0.08 -0.29 0.00 -0.52 0.00 0.00 57.07 56.23 2nnz s TYR 77 Cb -0.04 -1.84 0.01 0.00 0.38 0.00 0.00 41.96 40.48 2nnz s TYR 77 CO 0.03 0.34 1.32 -0.46 -1.52 0.00 0.00 175.55 175.25 2nnz s TRP 78 N -0.54 2.58 0.01 -3.49 -0.11 0.30 -1.73 118.94 115.97 2nnz s TRP 78 Ca 0.09 0.76 -0.08 0.00 1.22 0.00 0.00 56.10 58.09 2nnz s TRP 78 Cb -0.12 -4.18 -0.04 0.00 -1.50 0.00 0.00 33.47 27.63 2nnz s TRP 78 CO 0.02 -1.74 0.92 0.82 -4.62 0.00 0.00 176.95 172.35 2nnz h ILE 79 N 6.23 0.00 -0.14 5.86 2.04 -1.82 -2.26 117.51 127.43 2nnz h ILE 79 Ca -0.26 -0.05 -0.30 0.00 1.00 0.00 0.00 64.86 65.24 2nnz h ILE 79 Cb 1.09 0.00 0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2nnz h ILE 79 CO 1.07 0.00 0.87 -0.81 0.00 0.00 0.00 178.15 179.28 2nnz n PRO 80 N -2.92 0.58 0.00 2.37 -0.04 -1.26 -1.02 135.00 132.71 2nnz n PRO 80 Ca -0.04 -1.72 0.00 0.00 -0.04 0.00 0.00 63.50 61.70 2nnz n PRO 80 Cb 0.11 -3.42 0.00 0.00 -0.04 0.00 0.00 33.50 30.16 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 5.58 0.38 2.40 0.55 0.00 -1.26 -4.88 105.19 107.96 2nnz n GLY 81 Ca 0.44 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.90 -4.42 1.61 4.01 -0.19 -4.95 118.16 112.32 2nnz n LYS 82 Ca 0.00 0.81 -0.34 0.00 -0.51 0.00 0.00 58.31 58.27 2nnz n LYS 82 Cb 0.00 -5.39 -0.12 0.00 -0.51 0.00 0.00 35.03 29.01 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 -2.75 3.01 0.21 7.82 0.00 -0.95 -4.63 121.76 124.46 2nnz s ALA 83 Ca 0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 51.96 51.01 2nnz s ALA 83 Cb 0.00 -1.53 -0.07 0.00 0.00 0.00 0.00 23.12 21.52 2nnz s ALA 83 CO 0.00 0.25 0.58 0.42 0.00 0.00 0.00 175.76 177.01 2nnz s ILE 84 N 0.24 4.85 0.04 0.00 1.01 -1.24 0.11 121.20 126.22 2nnz s ILE 84 Ca -0.03 0.71 -0.02 0.00 0.00 0.00 0.00 60.65 61.32 2nnz s ILE 84 Cb -0.14 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 2nnz s ILE 84 CO 0.03 0.06 0.00 0.00 0.00 0.00 0.00 174.94 175.03 2nnz s LEU 86 N -2.45 3.44 -0.01 0.00 1.43 -1.14 -3.79 118.68 116.17 2nnz s LEU 86 Ca -0.00 -0.54 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 2nnz s LEU 86 Cb 0.02 -1.97 -0.00 0.00 0.03 0.00 0.00 46.19 44.27 2nnz s LEU 86 CO -0.07 -0.12 -0.04 -0.36 0.23 0.00 0.00 176.35 175.99 2nnz s PHE 87 N -2.29 0.41 -0.30 0.29 0.08 -1.26 -4.16 117.98 110.75 2nnz s PHE 87 Ca 0.34 -0.08 0.01 0.00 0.12 0.00 0.00 56.93 57.33 2nnz s PHE 87 Cb -0.06 -0.28 0.05 0.00 -0.57 0.00 0.00 43.02 42.15 2nnz s PHE 87 CO 0.23 -0.02 1.02 0.34 -0.10 0.00 0.00 175.22 176.69 2nnz n PHE 88 N 3.09 -0.29 0.00 0.36 7.35 -1.26 -4.67 117.46 122.04 2nnz n PHE 88 Ca -0.14 -0.64 0.00 0.00 -0.76 0.00 0.00 57.45 55.91 2nnz n PHE 88 Cb 0.58 1.14 0.00 0.00 0.35 0.00 0.00 39.48 41.54 2nnz n PHE 88 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2nnz n GLY 89 N -0.50 -0.62 0.00 7.13 0.00 -1.26 -4.91 105.19 105.03 2nnz n GLY 89 Ca -0.27 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.85 1.61 -0.00 -1.26 -4.87 118.16 109.78 2nnz n LYS 90 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 2nnz n LYS 90 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.05 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 -1.29 0.00 0.62 0.58 -4.23 -1.23 -4.02 115.64 106.07 2nnz s THR 91 Ca 0.00 -0.68 0.20 0.00 -1.18 0.00 0.00 61.69 60.03 2nnz s THR 91 Cb 0.00 -2.79 0.28 0.00 1.34 0.00 0.00 72.50 71.34 2nnz s THR 91 CO 0.00 0.00 1.31 1.55 -0.54 0.00 0.00 174.62 176.94 2nnz h PRO 92 N 2.00 0.00 -1.88 3.99 0.13 -1.84 -2.20 132.00 132.19 2nnz h PRO 92 Ca -0.28 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.35 2nnz h PRO 92 Cb 1.23 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.98 2nnz h PRO 92 CO 0.36 0.00 -1.12 0.44 -0.23 0.00 0.00 178.00 177.45 2nnz n ILE 93 N -3.08 -0.39 0.00 -3.56 -5.35 -1.26 -5.01 119.36 100.72 2nnz n ILE 93 Ca 0.15 -4.16 0.00 0.00 -0.27 0.00 0.00 62.75 58.47 2nnz n ILE 93 Cb 1.26 -0.89 0.00 0.00 -1.74 0.00 0.00 39.64 38.28 2nnz n ILE 93 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2nnz n SER 94 N 0.81 0.00 0.00 7.28 7.64 -0.83 -4.02 113.62 124.50 2nnz n SER 94 Ca 0.22 0.94 0.00 0.00 1.01 0.00 0.00 58.87 61.05 2nnz n SER 94 Cb 0.60 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 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 -2.09 0.00 -0.00 6.43 8.00 -1.26 -1.49 116.55 126.13 2nnz n ASP 95 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 2nnz n ASP 95 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 2nnz n ASP 95 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2nnz n ASP 96 N 8.82 1.04 0.00 -2.24 8.00 -1.26 -5.06 116.55 125.84 2nnz n ASP 96 Ca 0.00 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.04 2nnz n ASP 96 Cb 0.00 1.04 0.00 0.00 -0.02 0.00 0.00 41.12 42.14 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 -1.20 0.61 -3.95 -1.24 4.76 -0.56 -5.13 118.16 111.44 2nnz n LYS 97 Ca 0.00 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.14 2nnz n LYS 97 Cb 0.06 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.10 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 -0.64 1.91 -0.57 -0.18 1.01 -1.26 -4.37 121.20 117.10 2nnz s ILE 98 Ca 0.00 -2.04 -0.16 0.00 0.00 0.00 0.00 60.65 58.45 2nnz s ILE 98 Cb 0.00 -2.39 0.14 0.00 0.01 0.00 0.00 42.46 40.22 2nnz s ILE 98 CO 0.00 -0.57 0.52 -0.60 0.00 0.00 0.00 174.94 174.29 2nnz s ARG 99 N 1.10 3.04 0.36 2.79 6.06 -1.26 -4.67 118.95 126.38 2nnz s ARG 99 Ca 0.09 -1.78 0.13 0.00 -2.50 0.00 0.00 55.73 51.67 2nnz s ARG 99 Cb -0.19 -4.31 0.70 0.00 0.06 0.00 0.00 34.95 31.21 2nnz s ARG 99 CO -0.12 -1.32 1.80 -1.00 -2.50 0.00 0.00 175.30 172.16 2nnz h PRO 100 N 8.78 0.00 0.00 5.12 0.13 -1.94 -3.40 132.00 140.69 2nnz h PRO 100 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2nnz h PRO 100 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2nnz h PRO 100 CO 1.01 0.39 0.00 0.00 -0.23 0.00 0.00 178.00 179.18 2nnz n ALA 101 N -2.45 0.00 0.46 -0.56 0.00 -1.26 -4.92 120.51 111.78 2nnz n ALA 101 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.48 2nnz n ALA 101 Cb 0.43 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.90 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 0.11 1.49 -2.69 0.00 7.64 -1.26 -4.75 113.62 114.15 2nnz n SER 102 Ca 0.00 -1.24 -0.06 0.00 1.01 0.00 0.00 58.87 58.58 2nnz n SER 102 Cb 0.00 0.30 0.07 0.00 -1.01 0.00 0.00 64.21 63.57 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 0.07 -2.97 -2.32 -0.43 0.00 -1.26 -4.70 120.51 108.89 2nnz n ALA 103 Ca 0.05 -0.61 -0.31 0.00 0.00 0.00 0.00 53.44 52.57 2nnz n ALA 103 Cb 0.24 -2.70 -0.16 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 2.08 0.42 0.00 -7.23 0.79 -3.83 120.40 112.91 2nnz s VAL 104 Ca 0.28 -1.22 -0.14 0.00 -1.81 0.00 0.00 61.98 59.09 2nnz s VAL 104 Cb 0.21 -1.75 -0.08 0.00 0.56 0.00 0.00 36.38 35.33 2nnz s VAL 104 CO -0.13 0.50 0.84 0.20 -0.31 0.00 0.00 175.10 176.20 2nnz s ASN 105 N -0.85 6.65 -0.96 4.85 0.02 -0.70 0.56 114.94 124.51 2nnz s ASN 105 Ca 0.11 1.34 -0.19 0.00 -1.02 0.00 0.00 52.86 53.09 2nnz s ASN 105 Cb -0.10 -2.41 0.12 0.00 0.02 0.00 0.00 41.25 38.88 2nnz s ASN 105 CO 0.00 -0.40 1.19 0.68 0.02 0.00 0.00 177.10 178.59 2nnz s VAL 106 N -2.33 4.60 -0.64 1.60 -7.23 -1.26 -0.15 120.40 114.98 2nnz s VAL 106 Ca 0.55 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 59.25 2nnz s VAL 106 Cb -0.10 -4.83 0.00 0.00 0.56 0.00 0.00 36.38 32.01 2nnz s VAL 106 CO 0.26 -1.59 0.54 0.00 -0.31 0.00 0.00 175.10 174.01 2nnz n ILE 107 N 5.71 0.29 0.00 -0.62 3.06 -0.89 -4.72 119.36 122.19 2nnz n ILE 107 Ca 0.26 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.51 2nnz n ILE 107 Cb 0.49 -0.58 0.00 0.00 0.54 0.00 0.00 39.64 40.09 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 0.29 0.18 3.69 4.50 0.00 -1.20 -4.10 105.19 108.55 2nnz n GLY 108 Ca 0.00 -2.01 -0.08 0.00 0.00 0.00 0.00 46.02 43.92 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 1.60 -0.35 1.61 0.52 -1.24 0.38 118.95 121.47 2nnz s ARG 109 Ca 0.00 -1.00 -0.15 0.00 -0.52 0.00 0.00 55.73 54.07 2nnz s ARG 109 Cb 0.00 0.55 -0.01 0.00 0.52 0.00 0.00 34.95 36.01 2nnz s ARG 109 CO 0.00 -0.71 0.33 0.42 0.02 0.00 0.00 175.30 175.37 2nnz s ILE 110 N -3.92 5.20 0.00 1.52 1.01 -1.16 -1.81 121.20 122.04 2nnz s ILE 110 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.68 2nnz s ILE 110 Cb -0.03 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.62 2nnz s ILE 110 CO 0.04 -0.11 0.00 1.33 0.00 0.00 0.00 174.94 176.20 2nnz n VAL 111 N 5.22 0.00 -0.95 2.92 0.24 -1.25 -4.96 118.33 119.54 2nnz n VAL 111 Ca -0.10 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 61.92 2nnz n VAL 111 Cb 0.49 -0.47 0.21 0.00 -1.47 0.00 0.00 33.84 32.60 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 -0.20 1.88 0.52 -1.34 4.22 -1.26 -4.86 114.94 113.89 2nnz s ASN 112 Ca 0.00 1.24 0.00 0.00 -2.14 0.00 0.00 52.86 51.96 2nnz s ASN 112 Cb 0.00 -1.93 0.00 0.00 1.28 0.00 0.00 41.25 40.60 2nnz s ASN 112 CO 0.00 -3.60 0.00 -1.54 -2.04 0.00 0.00 177.10 169.92 2nnz n SER 113 N -4.49 -8.61 -4.69 3.54 3.41 -1.26 -4.04 113.62 97.48 2nnz n SER 113 Ca 0.04 1.12 -0.37 0.00 -0.26 0.00 0.00 58.87 59.40 2nnz n SER 113 Cb 0.57 -4.80 0.06 0.00 -0.26 0.00 0.00 64.21 59.78 2nnz n SER 113 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2nnz n MET 114 N -4.33 1.08 -1.96 4.33 2.81 -1.23 -4.78 117.12 113.03 2nnz n MET 114 Ca -0.05 0.42 -0.05 0.00 -1.81 0.00 0.00 57.70 56.21 2nnz n MET 114 Cb 0.69 -2.41 0.06 0.00 -0.71 0.00 0.00 33.22 30.85 2nnz n MET 114 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2nnz n GLU 115 N -1.55 1.84 -2.17 0.03 0.00 -1.26 -3.94 120.64 113.59 2nnz n GLU 115 Ca 0.15 -3.33 -0.27 0.00 0.00 0.00 0.00 57.16 53.71 2nnz n GLU 115 Cb 0.48 -1.44 0.02 0.00 0.00 0.00 0.00 31.44 30.49 2nnz n GLU 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2nnz n GLY 116 N -0.48 6.12 0.43 -1.84 0.00 -1.26 -4.81 105.19 103.35 2nnz n GLY 116 Ca 0.19 -2.67 0.24 0.00 0.00 0.00 0.00 46.02 43.78 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 2.41 0.34 -1.42 0.99 5.85 -1.90 -0.80 115.31 120.79 2nnz h LEU 117 Ca 0.37 0.06 0.33 0.00 0.84 0.00 0.00 57.88 59.48 2nnz h LEU 117 Cb 1.08 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 2nnz h LEU 117 CO 0.92 0.08 1.13 0.07 -0.34 0.00 0.00 178.44 180.30 2nnz h LYS 118 N 0.31 0.00 -1.00 1.25 5.09 -1.87 0.27 116.57 120.62 2nnz h LYS 118 Ca 0.55 0.00 -0.15 0.00 0.09 0.00 0.00 60.65 61.14 2nnz h LYS 118 Cb 1.57 0.00 -0.09 0.00 0.10 0.00 0.00 32.23 33.81 2nnz h LYS 118 CO -0.21 0.00 0.20 0.41 -2.09 0.00 0.00 179.45 177.76 2nnz n GLY 119 N -1.73 2.74 3.86 0.07 0.00 -0.31 -4.75 105.19 105.08 2nnz n GLY 119 Ca 0.25 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.00 4.69 0.38 1.61 -7.23 0.95 -4.98 120.40 114.82 2nnz s VAL 120 Ca 0.17 0.85 -0.23 0.00 -1.81 0.00 0.00 61.98 60.95 2nnz s VAL 120 Cb 0.14 -3.71 -0.10 0.00 0.56 0.00 0.00 36.38 33.27 2nnz s VAL 120 CO 0.03 -0.51 0.95 0.00 -0.31 0.00 0.00 175.10 175.26 2nnz s ALA 121 N -2.38 3.12 -0.11 1.32 0.00 -1.26 -4.95 121.76 117.50 2nnz s ALA 121 Ca 0.54 0.48 -0.33 0.00 0.00 0.00 0.00 51.96 52.65 2nnz s ALA 121 Cb -0.10 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.74 2nnz s ALA 121 CO 0.29 0.13 1.98 -0.40 0.00 0.00 0.00 175.76 177.75 2nnz n ASP 122 N -0.06 3.45 -2.34 0.00 5.75 -1.26 -4.08 116.55 118.01 2nnz n ASP 122 Ca 0.05 0.80 -0.04 0.00 -0.01 0.00 0.00 54.79 55.58 2nnz n ASP 122 Cb 0.52 -1.42 -0.04 0.00 -1.03 0.00 0.00 41.12 39.16 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 4.83 -4.84 3.37 6.12 0.00 -1.25 -4.97 105.19 108.45 2nnz n GLY 123 Ca 0.25 1.29 -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 -0.75 0.84 1.03 1.61 -1.05 -1.22 -5.01 118.70 114.14 2nnz s GLU 124 Ca -0.22 0.04 -0.18 0.00 -0.15 0.00 0.00 54.97 54.46 2nnz s GLU 124 Cb 0.01 0.39 -0.00 0.00 -0.44 0.00 0.00 34.13 34.09 2nnz s GLU 124 CO 0.59 -0.24 -0.21 0.45 0.95 0.00 0.00 175.26 176.80 2nnz n SER 125 N 1.17 -2.94 -3.65 0.83 2.88 -1.26 -2.15 113.62 108.50 2nnz n SER 125 Ca -0.20 0.10 -0.07 0.00 -1.33 0.00 0.00 58.87 57.36 2nnz n SER 125 Cb 0.56 -0.95 -0.08 0.00 -0.75 0.00 0.00 64.21 63.00 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 -0.11 -0.25 2.46 1.01 0.94 -4.46 120.40 117.77 2nnz s VAL 126 Ca 0.51 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.52 2nnz s VAL 126 Cb -0.13 -0.91 0.07 0.00 0.00 0.00 0.00 36.38 35.41 2nnz s VAL 126 CO 0.69 0.01 -0.03 0.68 0.00 0.00 0.00 175.10 176.45 2nnz s VAL 127 N 1.73 1.52 -0.06 2.92 -7.23 -1.25 0.11 120.40 118.15 2nnz s VAL 127 Ca -0.09 -1.31 -0.26 0.00 -1.81 0.00 0.00 61.98 58.50 2nnz s VAL 127 Cb -0.07 -1.85 -0.03 0.00 0.56 0.00 0.00 36.38 35.00 2nnz s VAL 127 CO -0.18 -0.19 0.82 -0.69 -0.31 0.00 0.00 175.10 174.55 2nnz s VAL 128 N 1.38 4.96 -0.21 1.32 1.01 -0.83 -3.80 120.40 124.23 2nnz s VAL 128 Ca -0.03 1.68 -0.13 0.00 0.00 0.00 0.00 61.98 63.50 2nnz s VAL 128 Cb -0.19 -4.15 0.06 0.00 0.00 0.00 0.00 36.38 32.11 2nnz s VAL 128 CO -0.08 0.18 0.51 -1.83 0.00 0.00 0.00 175.10 173.88 2nnz s GLU 129 N 1.13 0.52 -0.87 2.72 1.03 -0.57 -1.25 118.70 121.40 2nnz s GLU 129 Ca 0.42 0.90 -0.25 0.00 0.03 0.00 0.00 54.97 56.08 2nnz s GLU 129 Cb -0.19 0.08 -0.00 0.00 -0.80 0.00 0.00 34.13 33.22 2nnz s GLU 129 CO 0.20 -0.14 1.69 0.50 -1.33 0.00 0.00 175.26 176.18 2nnz s ARG 130 N 1.28 2.97 0.00 -4.83 3.00 -1.26 0.11 118.95 120.22 2nnz s ARG 130 Ca -0.08 -0.40 0.00 0.00 -1.00 0.00 0.00 55.73 54.25 2nnz s ARG 130 Cb -0.07 -4.94 0.00 0.00 0.00 0.00 0.00 34.95 29.95 2nnz s ARG 130 CO -0.13 -2.76 0.00 0.00 0.00 0.00 0.00 175.30 172.42