#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 3.69 2.06 -5.12 0.00 -1.26 -4.98 105.19 99.58 2nnz n GLY 2 Ca 0.00 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 2nnz n GLY 2 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2nnz n GLU 3 N -1.21 2.94 0.00 1.61 0.28 -1.26 -5.05 120.64 117.94 2nnz n GLU 3 Ca 0.00 -2.89 0.00 0.00 -0.16 0.00 0.00 57.16 54.11 2nnz n GLU 3 Cb 0.00 -2.15 0.00 0.00 1.43 0.00 0.00 31.44 30.72 2nnz n GLU 3 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2nnz n ARG 4 N -0.57 0.00 -1.13 3.44 5.12 -1.26 -4.70 116.66 117.56 2nnz n ARG 4 Ca 0.48 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 56.37 2nnz n ARG 4 Cb 1.48 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 32.77 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 0.00 0.05 2.78 -0.13 0.00 -1.26 -5.03 105.19 101.60 2nnz n GLY 5 Ca 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.21 4.00 -2.80 1.61 0.24 -1.26 -4.33 118.33 115.58 2nnz n VAL 6 Ca -0.11 -5.67 0.00 0.00 -2.04 0.00 0.00 64.34 56.52 2nnz n VAL 6 Cb 0.51 -1.60 0.05 0.00 -1.47 0.00 0.00 33.84 31.33 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 0.10 1.56 -3.80 7.34 0.00 -1.25 -4.83 120.64 119.75 2nnz n GLU 7 Ca 0.35 -3.20 -0.37 0.00 0.00 0.00 0.00 57.16 53.94 2nnz n GLU 7 Cb 0.35 -1.32 -0.13 0.00 0.00 0.00 0.00 31.44 30.35 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 -3.19 3.11 0.05 3.44 1.75 -1.22 -4.97 119.30 118.26 2nnz s MET 8 Ca 0.26 -0.83 0.08 0.00 -1.25 0.00 0.00 55.69 53.95 2nnz s MET 8 Cb 0.33 -3.28 -0.03 0.00 2.84 0.00 0.00 34.83 34.69 2nnz s MET 8 CO -0.06 -0.40 -0.20 -0.98 -0.65 0.00 0.00 175.02 172.73 2nnz s ARG 9 N 1.48 1.98 0.33 4.11 1.04 -1.26 0.75 118.95 127.37 2nnz s ARG 9 Ca 0.03 -1.03 0.10 0.00 -1.04 0.00 0.00 55.73 53.79 2nnz s ARG 9 Cb -0.17 -2.13 -0.06 0.00 -2.04 0.00 0.00 34.95 30.55 2nnz s ARG 9 CO 0.01 0.53 -0.12 -0.51 -0.04 0.00 0.00 175.30 175.17 2nnz s LEU 10 N -1.46 2.71 0.02 -1.89 1.43 -0.35 -4.41 118.68 114.72 2nnz s LEU 10 Ca 0.14 -1.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.11 2nnz s LEU 10 Cb -0.10 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 2nnz s LEU 10 CO 0.05 -0.13 0.07 -0.60 0.23 0.00 0.00 176.35 175.97 2nnz s ARG 11 N -3.59 2.99 -0.29 1.70 3.00 0.31 -3.01 118.95 120.07 2nnz s ARG 11 Ca 0.32 -0.55 -0.00 0.00 -1.00 0.00 0.00 55.73 54.49 2nnz s ARG 11 Cb 0.00 -2.80 0.14 0.00 0.00 0.00 0.00 34.95 32.28 2nnz s ARG 11 CO 0.16 0.62 0.30 0.42 0.00 0.00 0.00 175.30 176.80 2nnz s ILE 12 N -1.23 -0.41 0.18 4.11 1.01 -1.07 -1.63 121.20 122.17 2nnz s ILE 12 Ca 0.24 -0.48 0.05 0.00 0.00 0.00 0.00 60.65 60.46 2nnz s ILE 12 Cb -0.12 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 2nnz s ILE 12 CO 0.15 -0.46 0.17 0.00 0.00 0.00 0.00 174.94 174.81 2nnz s ARG 13 N 2.37 2.99 -0.02 2.79 1.70 -1.25 -2.28 118.95 125.25 2nnz s ARG 13 Ca 0.09 -0.86 0.03 0.00 -0.47 0.00 0.00 55.73 54.52 2nnz s ARG 13 Cb -0.14 -2.68 -0.01 0.00 -0.57 0.00 0.00 34.95 31.56 2nnz s ARG 13 CO -0.33 0.47 -0.12 -0.06 -1.08 0.00 0.00 175.30 174.19 2nnz s PHE 14 N -1.82 1.09 0.57 5.89 0.40 0.38 -3.67 117.98 120.82 2nnz s PHE 14 Ca 0.32 -0.23 0.44 0.00 -0.60 0.00 0.00 56.93 56.85 2nnz s PHE 14 Cb -0.10 -0.73 1.56 0.00 0.51 0.00 0.00 43.02 44.27 2nnz s PHE 14 CO 0.24 -0.05 1.57 0.93 0.70 0.00 0.00 175.22 178.62 2nnz h GLU 15 N 6.02 0.00 0.00 0.44 3.07 -1.95 0.56 114.58 122.72 2nnz h GLU 15 Ca -0.33 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.52 2nnz h GLU 15 Cb 1.17 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.05 2nnz h GLU 15 CO 0.49 0.00 -0.26 0.43 -1.40 0.00 0.00 179.01 178.27 2nnz n SER 16 N -3.84 1.76 -3.61 1.42 7.64 -1.26 -5.07 113.62 110.67 2nnz n SER 16 Ca 0.37 -3.06 -0.05 0.00 1.01 0.00 0.00 58.87 57.14 2nnz n SER 16 Cb 1.77 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 64.53 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 -2.36 -2.06 0.14 -0.43 0.00 0.20 -4.91 121.76 112.33 2nnz s ALA 17 Ca 0.29 1.72 0.09 0.00 0.00 0.00 0.00 51.96 54.05 2nnz s ALA 17 Cb 0.27 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 2nnz s ALA 17 CO -0.01 -0.40 -0.13 -1.83 0.00 0.00 0.00 175.76 173.39 2nnz s GLU 18 N -1.61 1.97 -0.05 0.00 1.03 -1.26 0.14 118.70 118.92 2nnz s GLU 18 Ca 0.07 -1.19 -0.30 0.00 0.03 0.00 0.00 54.97 53.58 2nnz s GLU 18 Cb -0.01 -2.17 0.08 0.00 -0.80 0.00 0.00 34.13 31.23 2nnz s GLU 18 CO -0.05 0.47 0.73 0.00 -1.33 0.00 0.00 175.26 175.08 2nnz s GLU 20 N -1.45 0.46 -0.13 0.00 0.41 -1.24 -2.58 118.70 114.16 2nnz s GLU 20 Ca -0.08 -0.72 -0.19 0.00 -0.41 0.00 0.00 54.97 53.57 2nnz s GLU 20 Cb -0.00 -0.13 0.05 0.00 -1.78 0.00 0.00 34.13 32.26 2nnz s GLU 20 CO 0.06 0.01 0.49 0.54 -0.49 0.00 0.00 175.26 175.87 2nnz s VAL 21 N -1.50 0.01 0.58 2.63 0.11 -1.16 -3.68 120.40 117.38 2nnz s VAL 21 Ca -0.11 -0.10 0.03 0.00 -2.93 0.00 0.00 61.98 58.86 2nnz s VAL 21 Cb -0.09 -0.73 0.11 0.00 -1.53 0.00 0.00 36.38 34.14 2nnz s VAL 21 CO -0.00 -0.06 0.80 -0.62 -3.33 0.00 0.00 175.10 171.88 2nnz n GLU 22 N 2.17 0.26 -3.73 1.54 1.02 -0.69 -1.21 120.64 120.01 2nnz n GLU 22 Ca -0.16 -2.49 -0.12 0.00 -0.02 0.00 0.00 57.16 54.37 2nnz n GLU 22 Cb 0.56 -0.43 -0.11 0.00 -0.02 0.00 0.00 31.44 31.45 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 0.32 -0.04 -4.62 2.96 0.23 -3.88 118.68 113.65 2nnz s LEU 23 Ca 0.55 0.76 0.05 0.00 -0.22 0.00 0.00 54.13 55.28 2nnz s LEU 23 Cb -0.04 1.20 -0.02 0.00 0.50 0.00 0.00 46.19 47.84 2nnz s LEU 23 CO 0.36 -0.16 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.73 2nnz s TYR 24 N 0.81 2.55 -1.15 5.38 2.02 -1.26 -3.42 117.35 122.28 2nnz s TYR 24 Ca -0.05 -0.32 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 2nnz s TYR 24 Cb -0.06 -1.59 0.05 0.00 -0.40 0.00 0.00 41.96 39.96 2nnz s TYR 24 CO -0.06 0.06 0.96 0.39 -1.57 0.00 0.00 175.55 175.33 2nnz n GLU 25 N 2.45 0.01 -0.45 -0.62 -0.58 -1.26 -3.24 120.64 116.94 2nnz n GLU 25 Ca -0.17 0.41 0.41 0.00 -0.42 0.00 0.00 57.16 57.39 2nnz n GLU 25 Cb 0.52 -1.50 0.76 0.00 -0.57 0.00 0.00 31.44 30.65 2nnz n GLU 25 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 2nnz h GLU 26 N 0.00 0.00 0.11 3.49 4.11 -1.94 0.32 114.58 120.66 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 0.02 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 -0.05 2.35 0.07 0.00 0.00 179.01 181.38 2nnz h TRP 27 N 0.00 -0.13 0.00 2.06 -0.00 -1.86 -3.44 115.95 112.57 2nnz h TRP 27 Ca 0.69 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.58 2nnz h TRP 27 Cb 2.86 0.04 0.00 0.00 -0.00 0.00 0.00 29.16 32.06 2nnz h TRP 27 CO 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 178.44 178.69 2nnz n ALA 28 N -2.67 0.00 -0.36 2.65 0.00 0.11 -4.69 120.51 115.56 2nnz n ALA 28 Ca -0.06 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.65 2nnz n ALA 28 Cb 0.22 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.20 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 0.31 -0.04 0.00 0.10 -1.93 -0.21 132.00 130.23 2nnz h PRO 29 Ca 0.00 -0.02 -0.00 0.00 0.10 0.00 0.00 66.00 66.08 2nnz h PRO 29 Cb 0.00 -0.07 -0.00 0.00 0.10 0.00 0.00 31.00 31.03 2nnz h PRO 29 CO 0.00 0.20 0.02 1.49 0.10 0.00 0.00 178.00 179.82 2nnz h GLU 30 N 0.31 0.05 -0.51 1.05 4.22 -1.95 -2.86 114.58 114.89 2nnz h GLU 30 Ca 0.68 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 60.10 2nnz h GLU 30 Cb 1.79 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.00 2nnz h GLU 30 CO -0.38 0.09 0.30 1.79 -2.18 0.00 0.00 179.01 178.62 2nnz h THR 31 N 0.01 1.17 -1.07 0.32 1.35 -1.44 -2.14 112.91 111.10 2nnz h THR 31 Ca 0.01 -0.40 0.30 0.00 -0.55 0.00 0.00 66.41 65.78 2nnz h THR 31 Cb 0.05 0.50 -0.12 0.00 -1.73 0.00 0.00 68.15 66.84 2nnz h THR 31 CO -0.00 0.17 0.66 0.58 -0.25 0.00 0.00 175.52 176.68 2nnz h VAL 32 N 0.69 0.41 -0.37 6.82 2.07 -1.21 0.76 116.25 125.41 2nnz h VAL 32 Ca 0.18 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.59 2nnz h VAL 32 Cb 0.02 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 2nnz h VAL 32 CO -0.03 0.07 0.24 -0.09 0.02 0.00 0.00 177.57 177.78 2nnz h ARG 33 N 0.36 0.44 -0.11 1.57 9.65 -1.17 -1.92 114.38 123.21 2nnz h ARG 33 Ca 0.68 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 59.49 2nnz h ARG 33 Cb 1.67 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 30.15 2nnz h ARG 33 CO -0.42 0.29 -0.09 0.00 2.80 0.00 0.00 179.97 182.54 2nnz h ALA 34 N 1.78 0.15 -0.18 2.80 0.00 0.48 -0.35 119.26 123.95 2nnz h ALA 34 Ca 0.14 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2nnz h ALA 34 Cb 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2nnz h ALA 34 CO -0.03 -0.02 -0.06 0.82 0.00 0.00 0.00 179.25 179.95 2nnz h ILE 35 N -0.15 0.78 0.00 0.00 1.08 -1.24 0.17 117.51 118.15 2nnz h ILE 35 Ca 0.02 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.46 2nnz h ILE 35 Cb 0.59 0.78 -0.00 0.00 -3.07 0.00 0.00 36.82 35.11 2nnz h ILE 35 CO 0.02 0.00 -0.13 0.00 -0.69 0.00 0.00 178.15 177.35 2nnz h ALA 36 N 1.13 1.73 0.00 1.87 0.00 -1.36 -0.66 119.26 121.97 2nnz h ALA 36 Ca 0.09 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2nnz h ALA 36 Cb 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2nnz h ALA 36 CO -0.20 0.16 -0.30 0.22 0.00 0.00 0.00 179.25 179.13 2nnz h ASP 37 N 0.00 0.00 -1.86 0.00 1.82 0.78 -3.22 116.42 113.95 2nnz h ASP 37 Ca -0.00 0.00 -0.73 0.00 -0.39 0.00 0.00 57.03 55.91 2nnz h ASP 37 Cb 0.24 0.00 -0.25 0.00 0.68 0.00 0.00 39.33 40.00 2nnz h ASP 37 CO 0.02 0.30 1.01 0.00 -1.61 0.00 0.00 179.24 178.96 2nnz n ALA 38 N -2.29 6.46 -1.00 -0.78 0.00 -0.25 -5.00 120.51 117.64 2nnz n ALA 38 Ca -0.01 -4.02 0.00 0.00 0.00 0.00 0.00 53.44 49.41 2nnz n ALA 38 Cb 0.44 -2.08 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 -0.15 0.00 -1.70 0.00 4.77 -1.22 -4.53 117.00 114.17 2nnz n LEU 39 Ca 0.52 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 56.31 2nnz n LEU 39 Cb 0.29 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.32 2nnz n LEU 39 CO 0.49 -0.46 0.77 -2.65 -1.33 0.00 0.00 177.39 174.21 2nnz n PRO 40 N 0.00 0.00 -3.86 3.23 -0.02 -0.50 -4.55 135.00 129.30 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 -0.58 -0.10 0.00 -0.02 0.00 0.00 33.50 32.80 2nnz n PRO 40 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2nnz s ILE 41 N 2.91 0.07 0.01 4.25 1.01 -0.47 -4.96 121.20 124.03 2nnz s ILE 41 Ca 0.50 -0.61 -0.24 0.00 0.00 0.00 0.00 60.65 60.30 2nnz s ILE 41 Cb -0.54 -0.43 -0.05 0.00 0.01 0.00 0.00 42.46 41.45 2nnz s ILE 41 CO 0.22 -0.34 0.72 -0.54 0.00 0.00 0.00 174.94 175.01 2nnz s LYS 42 N -1.26 4.45 0.01 2.79 1.02 -1.26 -2.11 119.74 123.38 2nnz s LYS 42 Ca -0.13 0.96 -0.04 0.00 0.02 0.00 0.00 55.97 56.78 2nnz s LYS 42 Cb -0.07 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 2nnz s LYS 42 CO 0.02 0.25 0.06 -1.54 -0.92 0.00 0.00 175.35 173.21 2nnz s SER 43 N 0.11 0.11 -0.18 2.83 1.04 0.38 -4.90 113.70 113.09 2nnz s SER 43 Ca 0.37 -0.31 -0.08 0.00 0.48 0.00 0.00 55.95 56.41 2nnz s SER 43 Cb -0.19 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 2nnz s SER 43 CO 0.21 -0.31 0.10 -0.89 0.98 0.00 0.00 173.24 173.33 2nnz s THR 44 N -1.28 5.13 -0.04 2.02 2.01 -1.26 0.58 115.64 122.79 2nnz s THR 44 Ca -0.14 0.08 -0.17 0.00 0.31 0.00 0.00 61.69 61.78 2nnz s THR 44 Cb -0.08 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 2nnz s THR 44 CO 0.00 0.47 0.46 0.00 -0.69 0.00 0.00 174.62 174.87 2nnz s ALA 45 N 0.18 3.58 -0.22 7.40 0.00 -0.47 -4.31 121.76 127.92 2nnz s ALA 45 Ca 0.07 -0.17 -0.06 0.00 0.00 0.00 0.00 51.96 51.80 2nnz s ALA 45 Cb -0.12 -2.54 -0.03 0.00 0.00 0.00 0.00 23.12 20.44 2nnz s ALA 45 CO -0.00 0.26 0.04 -0.80 0.00 0.00 0.00 175.76 175.25 2nnz s ASN 46 N -0.33 5.05 0.12 0.00 0.01 -1.24 -3.48 114.94 115.08 2nnz s ASN 46 Ca 0.25 -0.18 -0.26 0.00 -0.71 0.00 0.00 52.86 51.96 2nnz s ASN 46 Cb -0.16 -1.89 -0.07 0.00 0.41 0.00 0.00 41.25 39.54 2nnz s ASN 46 CO 0.13 0.03 0.82 -0.13 -1.51 0.00 0.00 177.10 176.44 2nnz s ARG 47 N 1.24 4.59 -0.04 -0.60 1.81 -1.26 -3.69 118.95 121.01 2nnz s ARG 47 Ca 0.04 1.21 -0.19 0.00 -1.72 0.00 0.00 55.73 55.07 2nnz s ARG 47 Cb -0.15 -3.32 0.04 0.00 -0.45 0.00 0.00 34.95 31.07 2nnz s ARG 47 CO 0.02 0.40 0.41 -0.46 -0.68 0.00 0.00 175.30 174.99 2nnz s TRP 48 N -0.55 -0.32 -0.73 -0.53 -0.11 -0.46 -4.97 118.94 111.28 2nnz s TRP 48 Ca 0.39 0.55 -0.11 0.00 1.22 0.00 0.00 56.10 58.15 2nnz s TRP 48 Cb -0.22 0.18 -0.22 0.00 -1.50 0.00 0.00 33.47 31.70 2nnz s TRP 48 CO 0.26 -0.43 1.68 0.41 -4.62 0.00 0.00 176.95 174.25 2nnz n GLY 49 N 1.32 -0.36 2.29 5.86 0.00 -1.26 0.13 105.19 113.17 2nnz n GLY 49 Ca -0.20 0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 5.02 -4.04 -3.93 1.61 9.92 -1.26 -4.21 116.55 119.66 2nnz n ASP 50 Ca 0.49 0.23 -0.15 0.00 -0.53 0.00 0.00 54.79 54.83 2nnz n ASP 50 Cb 0.08 -3.54 -0.14 0.00 -0.64 0.00 0.00 41.12 36.88 2nnz n ASP 50 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2nnz s GLU 51 N -4.29 0.35 -0.04 -1.24 2.56 0.35 -3.77 118.70 112.61 2nnz s GLU 51 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.97 54.82 2nnz s GLU 51 Cb 0.00 -0.35 0.03 0.00 2.00 0.00 0.00 34.13 35.81 2nnz s GLU 51 CO 0.00 0.08 0.04 -1.50 -0.56 0.00 0.00 175.26 173.32 2nnz s ILE 52 N -0.03 -0.01 -0.09 -3.70 1.10 -1.26 -1.35 121.20 115.86 2nnz s ILE 52 Ca 0.01 0.32 0.00 0.00 -0.51 0.00 0.00 60.65 60.47 2nnz s ILE 52 Cb -0.02 -0.20 0.02 0.00 0.15 0.00 0.00 42.46 42.41 2nnz s ILE 52 CO -0.00 0.17 -0.08 -0.72 -2.11 0.00 0.00 174.94 172.20 2nnz s TYR 53 N 1.84 1.37 0.03 3.50 -0.85 -1.24 -2.63 117.35 119.37 2nnz s TYR 53 Ca 0.01 -0.61 0.03 0.00 -0.52 0.00 0.00 57.07 55.98 2nnz s TYR 53 Cb -0.12 -1.12 -0.02 0.00 0.38 0.00 0.00 41.96 41.08 2nnz s TYR 53 CO -0.03 -0.42 -0.10 -0.59 -1.52 0.00 0.00 175.55 172.89 2nnz s PHE 54 N 1.39 0.89 0.15 -3.49 -0.12 -1.21 -3.62 117.98 111.97 2nnz s PHE 54 Ca -0.01 -0.33 -0.12 0.00 -0.05 0.00 0.00 56.93 56.42 2nnz s PHE 54 Cb -0.14 -0.54 -0.07 0.00 -0.63 0.00 0.00 43.02 41.65 2nnz s PHE 54 CO -0.04 -0.01 0.51 0.99 -0.05 0.00 0.00 175.22 176.61 2nnz s THR 55 N -0.81 4.94 -0.26 -4.49 2.01 -1.26 -3.67 115.64 112.10 2nnz s THR 55 Ca -0.01 0.62 0.03 0.00 0.31 0.00 0.00 61.69 62.63 2nnz s THR 55 Cb -0.07 -3.68 0.05 0.00 0.01 0.00 0.00 72.50 68.81 2nnz s THR 55 CO 0.01 0.16 0.85 0.35 -0.69 0.00 0.00 174.62 175.30 2nnz n THR 56 N 0.56 0.56 -0.16 -0.82 -2.24 -1.26 -4.34 114.28 106.58 2nnz n THR 56 Ca -0.04 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 2nnz n THR 56 Cb 0.52 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.09 0.00 -2.96 -0.78 6.02 -1.26 -4.96 117.38 113.36 2nnz n GLN 57 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.59 2nnz n GLN 57 Cb 0.19 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 29.92 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 -3.04 4.76 -0.66 5.09 0.11 -1.26 -5.00 120.40 120.39 2nnz s VAL 58 Ca 0.00 0.98 -0.12 0.00 -2.93 0.00 0.00 61.98 59.91 2nnz s VAL 58 Cb 0.00 -4.18 0.17 0.00 -1.53 0.00 0.00 36.38 30.84 2nnz s VAL 58 CO 0.00 -0.36 0.58 0.00 -3.33 0.00 0.00 175.10 171.99 2nnz s ALA 59 N 3.04 3.78 -0.24 1.54 0.00 -1.26 -4.87 121.76 123.75 2nnz s ALA 59 Ca 0.31 -2.95 -0.01 0.00 0.00 0.00 0.00 51.96 49.31 2nnz s ALA 59 Cb -0.14 -3.23 0.07 0.00 0.00 0.00 0.00 23.12 19.83 2nnz s ALA 59 CO 0.15 -2.12 0.04 0.54 0.00 0.00 0.00 175.76 174.37 2nnz s VAL 60 N 0.77 0.89 -0.04 0.00 0.11 -1.26 -5.12 120.40 115.74 2nnz s VAL 60 Ca 0.11 -1.00 0.03 0.00 -2.93 0.00 0.00 61.98 58.19 2nnz s VAL 60 Cb -0.20 -1.43 0.01 0.00 -1.53 0.00 0.00 36.38 33.23 2nnz s VAL 60 CO -0.03 -0.34 -0.11 -1.61 -3.33 0.00 0.00 175.10 169.68 2nnz s GLU 61 N 1.66 1.34 0.13 1.54 2.02 -1.26 -4.82 118.70 119.31 2nnz s GLU 61 Ca 0.01 -0.37 -0.02 0.00 0.02 0.00 0.00 54.97 54.61 2nnz s GLU 61 Cb -0.18 -1.18 -0.04 0.00 0.10 0.00 0.00 34.13 32.84 2nnz s GLU 61 CO -0.13 0.09 0.07 0.21 0.02 0.00 0.00 175.26 175.52 2nnz s LYS 62 N 0.39 0.92 -0.81 1.61 2.20 -1.26 -5.11 119.74 117.68 2nnz s LYS 62 Ca -0.08 -1.39 -0.15 0.00 -0.36 0.00 0.00 55.97 54.00 2nnz s LYS 62 Cb -0.12 0.25 0.21 0.00 -1.51 0.00 0.00 37.83 36.66 2nnz s LYS 62 CO 0.02 -0.26 0.78 -1.21 -0.36 0.00 0.00 175.35 174.31 2nnz s GLU 63 N -4.03 3.56 -0.10 4.03 8.01 -1.26 -4.98 118.70 123.94 2nnz s GLU 63 Ca 0.22 -2.35 -0.31 0.00 0.01 0.00 0.00 54.97 52.54 2nnz s GLU 63 Cb 0.07 -4.45 0.12 0.00 -4.31 0.00 0.00 34.13 25.56 2nnz s GLU 63 CO 0.00 -1.33 1.01 -2.00 0.01 0.00 0.00 175.26 172.96 2nnz s GLU 64 N 0.48 0.61 0.50 1.61 2.12 -1.26 -5.04 118.70 117.72 2nnz s GLU 64 Ca 0.18 -0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.35 2nnz s GLU 64 Cb -0.11 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.56 2nnz s GLU 64 CO -0.08 -0.25 0.00 -1.71 -0.54 0.00 0.00 175.26 172.68 2nnz n ASN 65 N 0.00 0.00 -2.47 -1.70 2.85 -1.26 -4.84 115.26 107.84 2nnz n ASN 65 Ca -0.06 0.00 -0.21 0.00 -0.11 0.00 0.00 54.58 54.20 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 2.01 -3.34 -4.91 1.20 7.64 -1.26 -4.95 113.62 110.01 2nnz n SER 66 Ca 0.00 -0.07 -0.23 0.00 1.01 0.00 0.00 58.87 59.58 2nnz n SER 66 Cb 0.00 -0.95 -0.03 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 -1.38 3.26 0.00 1.43 0.00 0.27 -4.47 119.74 118.86 2nnz s LYS 67 Ca 0.21 -0.79 0.00 0.00 0.00 0.00 0.00 55.97 55.38 2nnz s LYS 67 Cb -0.02 -2.81 0.00 0.00 0.00 0.00 0.00 37.83 35.00 2nnz s LYS 67 CO 0.47 0.45 0.42 -0.40 0.00 0.00 0.00 175.35 176.29 2nnz n ASP 68 N -1.01 0.82 -4.15 0.03 5.75 -1.26 0.58 116.55 117.32 2nnz n ASP 68 Ca -0.08 -1.03 -0.25 0.00 -0.01 0.00 0.00 54.79 53.42 2nnz n ASP 68 Cb 0.56 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.50 2nnz n ASP 68 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2nnz s VAL 69 N -0.03 1.36 0.21 2.12 0.11 -1.26 -4.43 120.40 118.48 2nnz s VAL 69 Ca 0.00 -0.71 -0.22 0.00 -2.93 0.00 0.00 61.98 58.11 2nnz s VAL 69 Cb 0.00 -1.15 0.05 0.00 -1.53 0.00 0.00 36.38 33.75 2nnz s VAL 69 CO 0.00 0.39 0.68 0.68 -3.33 0.00 0.00 175.10 173.52 2nnz s VAL 70 N -0.22 0.00 0.22 2.04 -7.23 -1.26 -5.10 120.40 108.85 2nnz s VAL 70 Ca 0.03 -0.47 0.09 0.00 -1.81 0.00 0.00 61.98 59.82 2nnz s VAL 70 Cb -0.08 -1.48 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 2nnz s VAL 70 CO 0.00 0.00 -0.17 -0.70 -0.31 0.00 0.00 175.10 173.92 2nnz s GLU 71 N -3.78 1.44 -0.02 4.82 -6.30 -1.26 -4.87 118.70 108.74 2nnz s GLU 71 Ca 0.06 -1.61 -0.37 0.00 -2.50 0.00 0.00 54.97 50.55 2nnz s GLU 71 Cb -0.03 -1.40 -0.19 0.00 0.00 0.00 0.00 34.13 32.51 2nnz s GLU 71 CO -0.03 0.26 1.01 -0.11 0.02 0.00 0.00 175.26 176.40 2nnz n LEU 72 N -0.30 0.03 0.00 2.70 7.94 -1.26 -2.52 117.00 123.59 2nnz n LEU 72 Ca -0.08 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.89 2nnz n LEU 72 Cb 0.59 -0.85 0.00 0.00 0.53 0.00 0.00 43.42 43.69 2nnz n LEU 72 CO 0.34 -1.74 0.00 0.61 -1.11 0.00 0.00 177.39 175.49 2nnz n GLY 73 N 1.47 1.41 3.90 -3.96 0.00 -1.26 -5.09 105.19 101.64 2nnz n GLY 73 Ca 0.19 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.37 6.42 0.17 1.61 1.47 -1.05 -2.91 116.67 122.01 2nnz s ASP 74 Ca 0.00 0.92 0.11 0.00 1.18 0.00 0.00 52.55 54.76 2nnz s ASP 74 Cb 0.00 -2.23 -0.04 0.00 -0.34 0.00 0.00 42.92 40.30 2nnz s ASP 74 CO 0.00 -0.38 -0.23 -0.69 0.68 0.00 0.00 175.17 174.55 2nnz s VAL 75 N -2.38 2.45 -0.00 2.11 1.01 0.14 -4.54 120.40 119.18 2nnz s VAL 75 Ca 0.47 -1.87 -0.11 0.00 0.00 0.00 0.00 61.98 60.48 2nnz s VAL 75 Cb -0.10 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.14 2nnz s VAL 75 CO 0.35 -0.03 0.22 0.00 0.00 0.00 0.00 175.10 175.63 2nnz s ALA 76 N -1.44 -0.54 -0.18 5.51 0.00 -1.24 -1.53 121.76 122.35 2nnz s ALA 76 Ca 0.19 0.07 -0.04 0.00 0.00 0.00 0.00 51.96 52.18 2nnz s ALA 76 Cb -0.09 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 2nnz s ALA 76 CO 0.09 -0.24 -0.03 -0.47 0.00 0.00 0.00 175.76 175.11 2nnz s TYR 77 N -1.40 3.00 -0.25 0.00 5.04 0.41 -2.12 117.35 122.03 2nnz s TYR 77 Ca -0.14 -0.46 -0.29 0.00 -2.44 0.00 0.00 57.07 53.74 2nnz s TYR 77 Cb -0.06 -2.01 -0.03 0.00 0.35 0.00 0.00 41.96 40.20 2nnz s TYR 77 CO 0.03 -0.19 1.79 -0.46 -1.34 0.00 0.00 175.55 175.38 2nnz s TRP 78 N 0.73 1.81 0.00 4.97 -0.00 0.30 -2.20 118.94 124.56 2nnz s TRP 78 Ca -0.01 0.50 -0.22 0.00 -0.00 0.00 0.00 56.10 56.37 2nnz s TRP 78 Cb -0.14 -4.06 -0.12 0.00 -0.00 0.00 0.00 33.47 29.15 2nnz s TRP 78 CO 0.02 -3.27 0.97 0.82 -0.00 0.00 0.00 176.95 175.49 2nnz h ILE 79 N 6.50 0.00 0.00 5.86 2.04 -1.83 -1.80 117.51 128.28 2nnz h ILE 79 Ca -0.36 -0.32 -0.50 0.00 1.00 0.00 0.00 64.86 64.68 2nnz h ILE 79 Cb 1.18 0.00 0.05 0.00 -0.74 0.00 0.00 36.82 37.31 2nnz h ILE 79 CO 1.00 0.00 2.10 -2.65 0.00 0.00 0.00 178.15 178.61 2nnz n PRO 80 N -4.99 1.27 0.00 2.37 -0.02 -1.26 -1.90 135.00 130.47 2nnz n PRO 80 Ca -0.10 -1.47 0.00 0.00 -2.02 0.00 0.00 63.50 59.92 2nnz n PRO 80 Cb 0.31 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 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 4.34 0.10 2.40 -1.23 0.00 -1.25 -4.92 105.19 104.61 2nnz n GLY 81 Ca 0.42 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.77 -4.68 1.61 4.01 -0.71 -4.95 118.16 111.66 2nnz n LYS 82 Ca 0.00 0.89 -0.33 0.00 -0.51 0.00 0.00 58.31 58.36 2nnz n LYS 82 Cb 0.00 -5.45 -0.13 0.00 -0.51 0.00 0.00 35.03 28.93 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 -2.77 2.75 0.16 7.82 0.00 -1.02 -4.58 121.76 124.12 2nnz s ALA 83 Ca 0.00 -0.88 -0.18 0.00 0.00 0.00 0.00 51.96 50.90 2nnz s ALA 83 Cb 0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 23.12 21.77 2nnz s ALA 83 CO 0.00 0.30 0.63 0.42 0.00 0.00 0.00 175.76 177.11 2nnz s ILE 84 N 0.13 4.70 -0.03 0.00 1.01 -1.24 0.11 121.20 125.88 2nnz s ILE 84 Ca -0.05 1.13 0.01 0.00 0.00 0.00 0.00 60.65 61.74 2nnz s ILE 84 Cb -0.14 -3.84 0.02 0.00 0.01 0.00 0.00 42.46 38.50 2nnz s ILE 84 CO 0.04 0.32 -0.03 0.00 0.00 0.00 0.00 174.94 175.26 2nnz s LEU 86 N 0.67 3.53 -0.05 0.00 1.43 -1.08 -3.65 118.68 119.53 2nnz s LEU 86 Ca -0.08 0.89 -0.00 0.00 -1.03 0.00 0.00 54.13 53.91 2nnz s LEU 86 Cb -0.11 -3.82 0.03 0.00 0.03 0.00 0.00 46.19 42.31 2nnz s LEU 86 CO -0.00 -0.69 -0.01 -0.36 0.23 0.00 0.00 176.35 175.52 2nnz s PHE 87 N -2.81 0.53 -0.40 0.29 0.08 -1.26 -4.17 117.98 110.24 2nnz s PHE 87 Ca 0.49 -0.09 0.07 0.00 0.12 0.00 0.00 56.93 57.51 2nnz s PHE 87 Cb -0.10 -0.61 0.32 0.00 -0.57 0.00 0.00 43.02 42.05 2nnz s PHE 87 CO 0.45 -0.22 1.24 0.34 -0.10 0.00 0.00 175.22 176.94 2nnz n PHE 88 N 4.53 -2.15 0.00 0.36 7.35 -1.25 -4.59 117.46 121.72 2nnz n PHE 88 Ca -0.18 -1.72 0.00 0.00 -0.76 0.00 0.00 57.45 54.79 2nnz n PHE 88 Cb 0.50 1.52 0.00 0.00 0.35 0.00 0.00 39.48 41.86 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 -0.14 0.51 3.80 7.13 0.00 -1.26 -4.92 105.19 110.31 2nnz n GLY 89 Ca -0.03 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 2nnz n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nnz s LYS 90 N 0.00 1.96 0.20 1.61 0.00 -1.26 -4.86 119.74 117.39 2nnz s LYS 90 Ca 0.00 -1.23 0.03 0.00 0.00 0.00 0.00 55.97 54.77 2nnz s LYS 90 Cb 0.00 0.60 -0.01 0.00 0.00 0.00 0.00 37.83 38.42 2nnz s LYS 90 CO 0.00 -0.90 0.11 2.41 0.00 0.00 0.00 175.35 176.97 2nnz n THR 91 N -0.49 0.00 0.17 3.79 -1.04 -1.26 -4.13 114.28 111.32 2nnz n THR 91 Ca -0.05 -1.28 0.16 0.00 -2.04 0.00 0.00 64.05 60.84 2nnz n THR 91 Cb 0.60 0.54 0.55 0.00 -1.82 0.00 0.00 70.33 70.20 2nnz n THR 91 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2nnz h PRO 92 N 0.00 0.00 -2.08 -2.82 0.11 -1.87 -2.59 132.00 122.75 2nnz h PRO 92 Ca -0.15 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.40 2nnz h PRO 92 Cb 0.64 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.35 2nnz h PRO 92 CO 0.23 0.00 -0.93 -0.89 -0.21 0.00 0.00 178.00 176.19 2nnz n ILE 93 N -3.08 0.55 0.00 4.15 -0.00 -1.26 -4.99 119.36 114.72 2nnz n ILE 93 Ca 0.05 -4.56 0.00 0.00 -0.00 0.00 0.00 62.75 58.25 2nnz n ILE 93 Cb 0.79 -1.75 0.00 0.00 -0.00 0.00 0.00 39.64 38.68 2nnz n ILE 93 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 2nnz n SER 94 N 0.98 0.00 -3.81 4.38 7.64 -0.98 -3.46 113.62 118.37 2nnz n SER 94 Ca 0.25 0.65 -0.26 0.00 1.01 0.00 0.00 58.87 60.52 2nnz n SER 94 Cb 0.50 -0.25 0.01 0.00 -1.01 0.00 0.00 64.21 63.46 2nnz n SER 94 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2nnz n ASP 95 N -1.26 -1.92 0.00 6.43 9.92 -1.26 0.08 116.55 128.54 2nnz n ASP 95 Ca 0.00 -0.96 0.00 0.00 -0.53 0.00 0.00 54.79 53.30 2nnz n ASP 95 Cb 0.00 -3.41 0.00 0.00 -0.64 0.00 0.00 41.12 37.07 2nnz n ASP 95 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2nnz n ASP 96 N -2.92 -1.89 -3.35 -2.24 9.92 -1.26 -4.93 116.55 109.88 2nnz n ASP 96 Ca -0.25 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 53.84 2nnz n ASP 96 Cb 0.66 -1.62 -0.07 0.00 -0.64 0.00 0.00 41.12 39.45 2nnz n ASP 96 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2nnz s LYS 97 N -0.74 1.79 -0.44 -1.24 3.01 0.11 -5.13 119.74 117.10 2nnz s LYS 97 Ca 0.00 -1.92 0.03 0.00 -1.01 0.00 0.00 55.97 53.07 2nnz s LYS 97 Cb 0.00 0.36 0.12 0.00 -1.01 0.00 0.00 37.83 37.31 2nnz s LYS 97 CO 0.00 -0.69 0.20 0.42 0.51 0.00 0.00 175.35 175.79 2nnz s ILE 98 N -3.34 2.07 -0.56 2.17 1.01 -1.26 -4.01 121.20 117.28 2nnz s ILE 98 Ca 0.37 -2.75 -0.17 0.00 0.00 0.00 0.00 60.65 58.11 2nnz s ILE 98 Cb 0.02 -2.47 0.12 0.00 0.01 0.00 0.00 42.46 40.14 2nnz s ILE 98 CO 0.25 -0.77 0.56 -0.60 0.00 0.00 0.00 174.94 174.38 2nnz s ARG 99 N 0.29 3.01 0.27 2.79 6.06 -1.22 -4.62 118.95 125.53 2nnz s ARG 99 Ca 0.15 -1.61 0.06 0.00 -2.50 0.00 0.00 55.73 51.83 2nnz s ARG 99 Cb -0.23 -4.29 0.35 0.00 0.06 0.00 0.00 34.95 30.83 2nnz s ARG 99 CO -0.04 -1.39 1.63 -1.00 -2.50 0.00 0.00 175.30 172.00 2nnz h PRO 100 N 8.96 0.23 0.00 5.12 0.13 -1.91 -3.39 132.00 141.14 2nnz h PRO 100 Ca -0.29 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2nnz h PRO 100 Cb 1.10 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2nnz h PRO 100 CO 1.06 0.69 0.00 0.00 -0.23 0.00 0.00 178.00 179.52 2nnz n ALA 101 N -2.47 0.00 0.05 -0.56 0.00 -1.26 -4.97 120.51 111.30 2nnz n ALA 101 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.43 2nnz n ALA 101 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.00 2nnz n ALA 101 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2nnz n SER 102 N 0.00 0.57 -2.71 0.00 7.64 -1.26 -4.75 113.62 113.11 2nnz n SER 102 Ca 0.00 -0.78 -0.06 0.00 1.01 0.00 0.00 58.87 59.03 2nnz n SER 102 Cb 0.00 0.50 0.07 0.00 -1.01 0.00 0.00 64.21 63.78 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 -0.48 -2.27 -2.38 -0.43 0.00 -1.26 -4.65 120.51 109.04 2nnz n ALA 103 Ca 0.00 -0.91 -0.31 0.00 0.00 0.00 0.00 53.44 52.22 2nnz n ALA 103 Cb 0.02 -2.18 -0.14 0.00 0.00 0.00 0.00 19.45 17.14 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 0.35 2.41 0.41 0.00 -7.23 0.20 -3.94 120.40 112.59 2nnz s VAL 104 Ca 0.27 -1.14 -0.14 0.00 -1.81 0.00 0.00 61.98 59.16 2nnz s VAL 104 Cb 0.24 -1.93 -0.08 0.00 0.56 0.00 0.00 36.38 35.17 2nnz s VAL 104 CO -0.16 0.47 0.82 0.20 -0.31 0.00 0.00 175.10 176.12 2nnz s ASN 105 N -1.00 6.65 -1.06 4.85 0.02 -0.93 0.97 114.94 124.42 2nnz s ASN 105 Ca 0.12 1.31 -0.19 0.00 -1.02 0.00 0.00 52.86 53.08 2nnz s ASN 105 Cb -0.10 -2.39 0.11 0.00 0.02 0.00 0.00 41.25 38.88 2nnz s ASN 105 CO 0.02 -0.38 1.37 0.68 0.02 0.00 0.00 177.10 178.80 2nnz s VAL 106 N -2.30 4.48 -0.67 1.60 -7.23 -1.26 -0.45 120.40 114.58 2nnz s VAL 106 Ca 0.55 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 2nnz s VAL 106 Cb -0.10 -4.94 0.00 0.00 0.56 0.00 0.00 36.38 31.90 2nnz s VAL 106 CO 0.26 -1.72 0.39 0.00 -0.31 0.00 0.00 175.10 173.71 2nnz n ILE 107 N 5.83 0.19 0.00 -0.62 3.06 -0.58 -4.68 119.36 122.56 2nnz n ILE 107 Ca 0.33 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.58 2nnz n ILE 107 Cb 0.48 -0.46 0.00 0.00 0.54 0.00 0.00 39.64 40.20 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 0.38 0.18 3.58 4.50 0.00 -1.19 -4.26 105.19 108.37 2nnz n GLY 108 Ca 0.00 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 43.96 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 1.46 -0.35 1.61 0.52 -1.25 0.24 118.95 121.18 2nnz s ARG 109 Ca 0.00 -0.96 -0.13 0.00 -0.52 0.00 0.00 55.73 54.11 2nnz s ARG 109 Cb 0.00 0.52 -0.01 0.00 0.52 0.00 0.00 34.95 35.98 2nnz s ARG 109 CO 0.00 -0.62 0.26 0.42 0.02 0.00 0.00 175.30 175.37 2nnz s ILE 110 N -3.91 5.28 0.00 1.52 1.01 -1.15 -1.71 121.20 122.24 2nnz s ILE 110 Ca 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.49 2nnz s ILE 110 Cb -0.01 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.70 2nnz s ILE 110 CO 0.01 -0.07 0.00 1.33 0.00 0.00 0.00 174.94 176.21 2nnz n VAL 111 N 5.12 0.00 -0.98 2.92 0.24 -1.24 -4.98 118.33 119.42 2nnz n VAL 111 Ca -0.12 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.89 2nnz n VAL 111 Cb 0.49 -0.40 0.23 0.00 -1.47 0.00 0.00 33.84 32.69 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 0.02 1.25 0.57 -1.34 4.22 -1.26 -4.86 114.94 113.55 2nnz s ASN 112 Ca 0.00 0.93 0.00 0.00 -2.14 0.00 0.00 52.86 51.65 2nnz s ASN 112 Cb 0.00 -1.39 0.00 0.00 1.28 0.00 0.00 41.25 41.14 2nnz s ASN 112 CO 0.00 -3.95 0.00 -0.24 -2.04 0.00 0.00 177.10 170.87 2nnz n SER 113 N -4.69 -7.57 -4.71 3.54 2.88 -1.26 -3.69 113.62 98.12 2nnz n SER 113 Ca 0.09 1.32 -0.43 0.00 -1.33 0.00 0.00 58.87 58.52 2nnz n SER 113 Cb 0.58 -4.67 -0.03 0.00 -0.75 0.00 0.00 64.21 59.34 2nnz n SER 113 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 2nnz n MET 114 N -4.22 2.61 -0.93 -1.46 1.56 -1.24 -4.66 117.12 108.78 2nnz n MET 114 Ca -0.08 0.94 -0.10 0.00 -0.27 0.00 0.00 57.70 58.19 2nnz n MET 114 Cb 0.65 -2.76 0.20 0.00 2.15 0.00 0.00 33.22 33.46 2nnz n MET 114 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 2nnz n GLU 115 N 3.63 1.99 -1.97 2.12 0.00 -1.26 -3.57 120.64 121.58 2nnz n GLU 115 Ca 0.15 -3.14 -0.31 0.00 0.00 0.00 0.00 57.16 53.87 2nnz n GLU 115 Cb 0.34 -1.93 0.03 0.00 0.00 0.00 0.00 31.44 29.88 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 -1.11 5.98 0.37 -1.84 0.00 -1.26 -4.77 105.19 102.55 2nnz n GLY 116 Ca 0.41 -2.58 0.11 0.00 0.00 0.00 0.00 46.02 43.96 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 2.44 0.79 -1.29 0.99 5.85 -1.85 -1.67 115.31 120.55 2nnz h LEU 117 Ca 0.45 0.06 0.29 0.00 0.84 0.00 0.00 57.88 59.52 2nnz h LEU 117 Cb 0.86 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 2nnz h LEU 117 CO 1.12 0.37 1.10 0.07 -0.34 0.00 0.00 178.44 180.77 2nnz h LYS 118 N 0.82 0.00 -0.99 1.25 5.09 -1.89 0.21 116.57 121.06 2nnz h LYS 118 Ca 0.50 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 61.11 2nnz h LYS 118 Cb 0.70 0.00 -0.08 0.00 0.10 0.00 0.00 32.23 32.95 2nnz h LYS 118 CO -0.27 0.00 0.17 0.41 -2.09 0.00 0.00 179.45 177.67 2nnz n GLY 119 N -1.70 2.65 3.86 0.07 0.00 -0.63 -4.70 105.19 104.75 2nnz n GLY 119 Ca 0.22 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.03 4.65 0.40 1.61 -7.23 0.74 -5.02 120.40 114.52 2nnz s VAL 120 Ca 0.17 0.93 -0.22 0.00 -1.81 0.00 0.00 61.98 61.06 2nnz s VAL 120 Cb 0.14 -3.72 -0.11 0.00 0.56 0.00 0.00 36.38 33.26 2nnz s VAL 120 CO 0.03 -0.58 0.93 0.00 -0.31 0.00 0.00 175.10 175.18 2nnz s ALA 121 N -2.46 3.10 -0.20 1.32 0.00 -1.26 -4.95 121.76 117.31 2nnz s ALA 121 Ca 0.55 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.61 2nnz s ALA 121 Cb -0.10 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 2nnz s ALA 121 CO 0.30 0.16 2.16 -0.40 0.00 0.00 0.00 175.76 177.98 2nnz n ASP 122 N -0.35 3.20 -1.69 0.00 5.75 -1.26 -4.18 116.55 118.01 2nnz n ASP 122 Ca 0.06 0.38 -0.01 0.00 -0.01 0.00 0.00 54.79 55.20 2nnz n ASP 122 Cb 0.53 -1.49 -0.01 0.00 -1.03 0.00 0.00 41.12 39.12 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 5.66 -3.45 3.37 6.12 0.00 -1.26 -4.97 105.19 110.65 2nnz n GLY 123 Ca 0.30 0.04 -0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.00 0.97 1.14 1.61 -1.05 -1.23 -5.02 118.70 114.12 2nnz s GLU 124 Ca -0.06 -0.21 -0.15 0.00 -0.15 0.00 0.00 54.97 54.40 2nnz s GLU 124 Cb 0.00 0.44 0.21 0.00 -0.44 0.00 0.00 34.13 34.35 2nnz s GLU 124 CO 0.16 -0.34 0.66 0.45 0.95 0.00 0.00 175.26 177.14 2nnz n SER 125 N 0.56 -1.88 -3.65 0.83 2.88 -1.26 -1.37 113.62 109.73 2nnz n SER 125 Ca -0.19 -0.10 -0.07 0.00 -1.33 0.00 0.00 58.87 57.18 2nnz n SER 125 Cb 0.59 -1.17 -0.08 0.00 -0.75 0.00 0.00 64.21 62.81 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 -2.36 -0.11 -0.24 2.46 1.01 0.20 -4.31 120.40 117.04 2nnz s VAL 126 Ca 0.64 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2nnz s VAL 126 Cb -0.21 -0.90 0.07 0.00 0.00 0.00 0.00 36.38 35.34 2nnz s VAL 126 CO 0.65 0.01 -0.02 0.68 0.00 0.00 0.00 175.10 176.43 2nnz s VAL 127 N 1.72 1.32 -0.06 2.92 -7.23 -1.24 0.14 120.40 117.98 2nnz s VAL 127 Ca -0.09 -1.17 -0.26 0.00 -1.81 0.00 0.00 61.98 58.65 2nnz s VAL 127 Cb -0.07 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 2nnz s VAL 127 CO -0.18 -0.20 0.81 -0.69 -0.31 0.00 0.00 175.10 174.53 2nnz s VAL 128 N 1.48 4.97 -0.19 1.32 1.01 -0.90 -3.80 120.40 124.29 2nnz s VAL 128 Ca -0.03 1.66 -0.10 0.00 0.00 0.00 0.00 61.98 63.51 2nnz s VAL 128 Cb -0.18 -4.14 0.06 0.00 0.00 0.00 0.00 36.38 32.12 2nnz s VAL 128 CO -0.08 0.19 0.46 -1.83 0.00 0.00 0.00 175.10 173.83 2nnz s GLU 129 N 1.07 0.45 -0.98 2.72 1.03 -0.64 -1.37 118.70 120.97 2nnz s GLU 129 Ca 0.42 0.86 -0.24 0.00 0.03 0.00 0.00 54.97 56.04 2nnz s GLU 129 Cb -0.19 0.01 -0.00 0.00 -0.80 0.00 0.00 34.13 33.15 2nnz s GLU 129 CO 0.20 -0.16 1.73 0.50 -1.33 0.00 0.00 175.26 176.21 2nnz s ARG 130 N 1.42 3.04 0.00 -4.83 3.00 -1.26 0.11 118.95 120.44 2nnz s ARG 130 Ca -0.09 -0.76 0.00 0.00 -1.00 0.00 0.00 55.73 53.88 2nnz s ARG 130 Cb -0.08 -5.22 0.00 0.00 0.00 0.00 0.00 34.95 29.66 2nnz s ARG 130 CO -0.14 -2.88 0.00 0.00 0.00 0.00 0.00 175.30 172.28