#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 3.63 0.26 3.03 0.00 -1.26 -5.08 105.19 105.77 2nnz n GLY 2 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 0.00 0.12 1.61 0.28 -1.26 -5.05 120.64 116.34 2nnz n GLU 3 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2nnz n GLU 3 Cb 0.00 -0.65 0.00 0.00 1.43 0.00 0.00 31.44 32.22 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 -2.10 0.00 -0.84 3.44 5.12 -1.26 -5.03 116.66 115.99 2nnz n ARG 4 Ca 0.00 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.87 2nnz n ARG 4 Cb 0.23 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.48 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 0.40 0.40 2.77 -0.13 0.00 -1.26 -5.02 105.19 102.35 2nnz n GLY 5 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.84 -2.62 1.61 0.24 -1.26 -3.94 118.33 116.20 2nnz n VAL 6 Ca -0.20 -5.64 -0.02 0.00 -2.04 0.00 0.00 64.34 56.44 2nnz n VAL 6 Cb 0.59 -1.65 0.10 0.00 -1.47 0.00 0.00 33.84 31.41 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 0.18 1.25 -3.68 7.34 -0.58 -1.23 -4.82 120.64 119.11 2nnz n GLU 7 Ca 0.34 -1.48 -0.39 0.00 -0.42 0.00 0.00 57.16 55.21 2nnz n GLU 7 Cb 0.36 0.18 -0.12 0.00 -0.57 0.00 0.00 31.44 31.29 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 -0.36 2.76 0.01 3.49 1.75 -1.18 -4.95 119.30 120.83 2nnz s MET 8 Ca 0.11 -1.10 0.02 0.00 -1.25 0.00 0.00 55.69 53.47 2nnz s MET 8 Cb 0.39 -3.58 -0.04 0.00 2.84 0.00 0.00 34.83 34.45 2nnz s MET 8 CO -0.11 -0.66 -0.01 -0.98 -0.65 0.00 0.00 175.02 172.61 2nnz s ARG 9 N 1.48 2.71 0.33 4.11 1.04 -1.26 -0.63 118.95 126.72 2nnz s ARG 9 Ca 0.00 -0.66 0.10 0.00 -1.04 0.00 0.00 55.73 54.13 2nnz s ARG 9 Cb -0.19 -2.62 -0.06 0.00 -2.04 0.00 0.00 34.95 30.04 2nnz s ARG 9 CO 0.05 0.61 -0.11 -0.48 -0.04 0.00 0.00 175.30 175.32 2nnz s LEU 10 N -1.63 2.69 0.03 -1.89 2.34 -0.31 -4.33 118.68 115.57 2nnz s LEU 10 Ca 0.20 -1.16 0.04 0.00 0.06 0.00 0.00 54.13 53.27 2nnz s LEU 10 Cb -0.11 -0.99 -0.03 0.00 -0.56 0.00 0.00 46.19 44.49 2nnz s LEU 10 CO 0.11 -0.17 -0.08 -0.60 -1.06 0.00 0.00 176.35 174.55 2nnz s ARG 11 N -3.60 2.44 -0.29 1.48 3.00 0.31 -2.83 118.95 119.46 2nnz s ARG 11 Ca 0.32 -0.81 -0.01 0.00 -1.00 0.00 0.00 55.73 54.23 2nnz s ARG 11 Cb 0.01 -2.44 0.13 0.00 0.00 0.00 0.00 34.95 32.64 2nnz s ARG 11 CO 0.16 0.58 0.25 0.42 0.00 0.00 0.00 175.30 176.70 2nnz s ILE 12 N -1.05 -0.31 0.17 4.11 1.01 -0.95 -1.52 121.20 122.66 2nnz s ILE 12 Ca 0.18 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.32 2nnz s ILE 12 Cb -0.11 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 2nnz s ILE 12 CO 0.09 -0.54 0.22 0.00 0.00 0.00 0.00 174.94 174.72 2nnz s ARG 13 N 2.29 3.19 -0.02 2.79 1.70 -1.24 -2.55 118.95 125.12 2nnz s ARG 13 Ca 0.09 -0.74 0.03 0.00 -0.47 0.00 0.00 55.73 54.64 2nnz s ARG 13 Cb -0.14 -2.81 -0.00 0.00 -0.57 0.00 0.00 34.95 31.42 2nnz s ARG 13 CO -0.34 0.49 -0.11 -0.06 -1.08 0.00 0.00 175.30 174.21 2nnz s PHE 14 N -1.78 1.05 0.56 5.89 0.40 0.40 -3.46 117.98 121.04 2nnz s PHE 14 Ca 0.33 -0.23 0.43 0.00 -0.60 0.00 0.00 56.93 56.85 2nnz s PHE 14 Cb -0.10 -0.70 1.56 0.00 0.51 0.00 0.00 43.02 44.28 2nnz s PHE 14 CO 0.26 -0.06 1.60 0.93 0.70 0.00 0.00 175.22 178.65 2nnz h GLU 15 N 6.09 0.00 0.00 0.44 3.07 -1.93 0.49 114.58 122.74 2nnz h GLU 15 Ca -0.33 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.52 2nnz h GLU 15 Cb 1.17 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.04 2nnz h GLU 15 CO 0.49 0.00 -0.31 -1.13 -1.40 0.00 0.00 179.01 176.66 2nnz n SER 16 N -3.87 1.59 -3.58 1.42 3.41 -1.26 -5.07 113.62 106.26 2nnz n SER 16 Ca 0.35 -2.94 -0.08 0.00 -0.26 0.00 0.00 58.87 55.94 2nnz n SER 16 Cb 1.71 -0.39 -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 -2.08 -1.97 0.03 7.33 0.00 0.17 -4.95 121.76 120.30 2nnz s ALA 17 Ca 0.27 1.57 0.08 0.00 0.00 0.00 0.00 51.96 53.88 2nnz s ALA 17 Cb 0.25 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 2nnz s ALA 17 CO -0.02 -0.38 -0.24 -1.83 0.00 0.00 0.00 175.76 173.29 2nnz s GLU 18 N -1.50 1.71 -0.11 0.00 -1.05 -1.26 0.15 118.70 116.64 2nnz s GLU 18 Ca 0.02 -1.00 -0.30 0.00 -0.15 0.00 0.00 54.97 53.54 2nnz s GLU 18 Cb -0.01 -1.81 0.08 0.00 -0.44 0.00 0.00 34.13 31.96 2nnz s GLU 18 CO -0.02 0.47 0.77 0.00 0.95 0.00 0.00 175.26 177.43 2nnz s GLU 20 N -0.96 0.74 -0.09 0.00 2.02 -1.26 -2.25 118.70 116.91 2nnz s GLU 20 Ca -0.07 -1.20 -0.22 0.00 0.02 0.00 0.00 54.97 53.50 2nnz s GLU 20 Cb -0.01 -0.18 0.05 0.00 0.10 0.00 0.00 34.13 34.09 2nnz s GLU 20 CO 0.07 -0.01 0.52 0.54 0.02 0.00 0.00 175.26 176.39 2nnz s VAL 21 N -3.17 0.02 0.53 2.63 0.11 -1.13 -3.81 120.40 115.58 2nnz s VAL 21 Ca 0.07 -0.14 0.06 0.00 -2.93 0.00 0.00 61.98 59.03 2nnz s VAL 21 Cb 0.02 -0.80 0.09 0.00 -1.53 0.00 0.00 36.38 34.17 2nnz s VAL 21 CO -0.04 -0.08 0.73 -0.62 -3.33 0.00 0.00 175.10 171.76 2nnz n GLU 22 N 1.66 0.50 -3.69 1.54 1.02 -0.81 -1.16 120.64 119.70 2nnz n GLU 22 Ca -0.18 -2.59 -0.14 0.00 -0.02 0.00 0.00 57.16 54.23 2nnz n GLU 22 Cb 0.56 -0.30 -0.09 0.00 -0.02 0.00 0.00 31.44 31.60 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 0.17 0.07 -4.62 2.96 0.20 -3.65 118.68 113.80 2nnz s LEU 23 Ca 0.53 0.72 0.08 0.00 -0.22 0.00 0.00 54.13 55.24 2nnz s LEU 23 Cb -0.04 1.73 -0.03 0.00 0.50 0.00 0.00 46.19 48.35 2nnz s LEU 23 CO 0.34 -0.31 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.53 2nnz s TYR 24 N -0.38 1.89 -0.83 5.38 2.02 -1.26 -3.09 117.35 121.08 2nnz s TYR 24 Ca -0.05 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 2nnz s TYR 24 Cb -0.03 -1.09 0.00 0.00 -0.40 0.00 0.00 41.96 40.44 2nnz s TYR 24 CO 0.03 0.15 0.85 0.39 -1.57 0.00 0.00 175.55 175.40 2nnz n GLU 25 N 1.53 0.00 -0.23 -0.62 1.02 -1.25 -3.02 120.64 118.07 2nnz n GLU 25 Ca -0.18 0.36 0.32 0.00 -0.02 0.00 0.00 57.16 57.64 2nnz n GLU 25 Cb 0.53 -1.61 0.66 0.00 -0.02 0.00 0.00 31.44 31.00 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 -1.94 0.54 114.58 120.79 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 0.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2nnz h GLU 26 CO 0.00 0.00 -0.10 2.35 0.07 0.00 0.00 179.01 181.33 2nnz h TRP 27 N 0.00 0.00 0.00 2.06 7.01 -1.82 -3.44 115.95 119.76 2nnz h TRP 27 Ca 0.50 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.50 2nnz h TRP 27 Cb 2.39 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 29.45 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 -2.83 0.00 -0.36 2.65 0.00 0.18 -4.53 120.51 115.63 2nnz n ALA 28 Ca -0.05 0.00 0.37 0.00 0.00 0.00 0.00 53.44 53.76 2nnz n ALA 28 Cb 0.21 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.41 2nnz n ALA 28 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2nnz h PRO 29 N 0.00 0.00 -0.24 0.00 0.13 -1.93 0.87 132.00 130.83 2nnz h PRO 29 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2nnz h PRO 29 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2nnz h PRO 29 CO 0.00 0.00 0.03 0.93 -0.23 0.00 0.00 178.00 178.73 2nnz h GLU 30 N 0.00 0.40 -0.18 0.86 4.39 -1.95 -3.08 114.58 115.01 2nnz h GLU 30 Ca 0.61 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 60.15 2nnz h GLU 30 Cb 2.49 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 31.09 2nnz h GLU 30 CO -0.01 0.54 -0.09 1.79 -1.16 0.00 0.00 179.01 180.09 2nnz h THR 31 N 0.20 1.31 -1.39 1.13 1.35 -1.22 -2.94 112.91 111.35 2nnz h THR 31 Ca 0.07 -1.14 0.40 0.00 -0.55 0.00 0.00 66.41 65.20 2nnz h THR 31 Cb 0.34 1.67 -0.06 0.00 -1.73 0.00 0.00 68.15 68.37 2nnz h THR 31 CO 0.01 0.34 1.01 0.58 -0.25 0.00 0.00 175.52 177.21 2nnz h VAL 32 N 0.07 0.29 -0.34 6.82 2.07 -1.41 0.56 116.25 124.30 2nnz h VAL 32 Ca 0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 2nnz h VAL 32 Cb 0.57 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2nnz h VAL 32 CO 0.03 0.00 0.19 -0.09 0.02 0.00 0.00 177.57 177.72 2nnz h ARG 33 N 0.00 0.45 -0.07 1.57 9.65 -1.42 -2.12 114.38 122.44 2nnz h ARG 33 Ca 0.66 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 59.46 2nnz h ARG 33 Cb 2.68 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 31.16 2nnz h ARG 33 CO -0.01 0.33 -0.14 0.00 2.80 0.00 0.00 179.97 182.95 2nnz h ALA 34 N 1.75 0.11 -0.31 2.80 0.00 -0.03 -1.29 119.26 122.29 2nnz h ALA 34 Ca 0.12 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.74 2nnz h ALA 34 Cb -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2nnz h ALA 34 CO -0.02 0.01 0.01 0.82 0.00 0.00 0.00 179.25 180.06 2nnz h ILE 35 N -0.26 0.78 0.00 0.00 1.08 -1.51 0.51 117.51 118.11 2nnz h ILE 35 Ca 0.00 -0.03 -0.04 0.00 -0.39 0.00 0.00 64.86 64.40 2nnz h ILE 35 Cb 0.72 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 35.14 2nnz h ILE 35 CO 0.03 0.02 -0.18 0.00 -0.69 0.00 0.00 178.15 177.33 2nnz h ALA 36 N 1.26 1.57 0.00 1.87 0.00 -1.42 -1.17 119.26 121.37 2nnz h ALA 36 Ca 0.15 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2nnz h ALA 36 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2nnz h ALA 36 CO -0.24 0.22 -0.31 0.22 0.00 0.00 0.00 179.25 179.14 2nnz h ASP 37 N 0.00 0.00 -1.83 0.00 3.58 0.27 -3.23 116.42 115.21 2nnz h ASP 37 Ca -0.00 0.00 -0.72 0.00 0.42 0.00 0.00 57.03 56.73 2nnz h ASP 37 Cb 0.34 0.00 -0.25 0.00 1.72 0.00 0.00 39.33 41.14 2nnz h ASP 37 CO 0.02 0.31 0.97 0.00 -2.88 0.00 0.00 179.24 177.66 2nnz n ALA 38 N -2.27 6.48 -1.00 -0.78 0.00 -0.32 -5.00 120.51 117.62 2nnz n ALA 38 Ca -0.00 -3.96 0.00 0.00 0.00 0.00 0.00 53.44 49.48 2nnz n ALA 38 Cb 0.46 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 -0.18 0.00 -1.96 0.00 4.77 -1.22 -4.57 117.00 113.84 2nnz n LEU 39 Ca 0.53 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 56.26 2nnz n LEU 39 Cb 0.29 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 2nnz n LEU 39 CO 0.48 -0.44 0.85 -2.65 -1.33 0.00 0.00 177.39 174.30 2nnz n PRO 40 N 0.00 0.00 -3.75 3.23 -0.02 -0.26 -4.48 135.00 129.72 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 -0.68 -0.09 0.00 -0.02 0.00 0.00 33.50 32.71 2nnz n PRO 40 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2nnz s ILE 41 N 3.12 0.05 0.07 4.25 1.01 -0.37 -4.95 121.20 124.39 2nnz s ILE 41 Ca 0.57 -0.44 -0.24 0.00 0.00 0.00 0.00 60.65 60.54 2nnz s ILE 41 Cb -0.65 -0.63 -0.06 0.00 0.01 0.00 0.00 42.46 41.13 2nnz s ILE 41 CO 0.28 -0.24 0.71 -0.54 0.00 0.00 0.00 174.94 175.15 2nnz s LYS 42 N -1.29 4.45 -0.01 2.79 1.02 -1.26 -1.87 119.74 123.57 2nnz s LYS 42 Ca -0.13 0.99 -0.09 0.00 0.02 0.00 0.00 55.97 56.76 2nnz s LYS 42 Cb -0.05 -3.32 0.01 0.00 -0.52 0.00 0.00 37.83 33.95 2nnz s LYS 42 CO 0.04 0.42 0.19 -1.54 -0.92 0.00 0.00 175.35 173.55 2nnz s SER 43 N -0.52 -0.05 -0.24 2.83 1.04 0.30 -4.88 113.70 112.19 2nnz s SER 43 Ca 0.35 -0.08 -0.09 0.00 0.48 0.00 0.00 55.95 56.60 2nnz s SER 43 Cb -0.21 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.12 2nnz s SER 43 CO 0.22 -0.37 0.13 -0.89 0.98 0.00 0.00 173.24 173.31 2nnz s THR 44 N -1.26 5.05 0.02 2.02 2.01 -1.26 -0.26 115.64 121.96 2nnz s THR 44 Ca -0.13 0.07 -0.25 0.00 0.31 0.00 0.00 61.69 61.69 2nnz s THR 44 Cb -0.07 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 2nnz s THR 44 CO 0.02 0.35 0.76 0.00 -0.69 0.00 0.00 174.62 175.07 2nnz s ALA 45 N 1.11 3.36 -0.22 7.40 0.00 -0.94 -4.33 121.76 128.14 2nnz s ALA 45 Ca 0.06 0.26 -0.08 0.00 0.00 0.00 0.00 51.96 52.20 2nnz s ALA 45 Cb -0.14 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 2nnz s ALA 45 CO 0.04 0.03 0.10 -0.80 0.00 0.00 0.00 175.76 175.13 2nnz s ASN 46 N 0.14 5.60 0.02 0.00 0.01 -1.23 -3.45 114.94 116.02 2nnz s ASN 46 Ca 0.39 -0.01 -0.21 0.00 -0.71 0.00 0.00 52.86 52.32 2nnz s ASN 46 Cb -0.20 -1.99 -0.06 0.00 0.41 0.00 0.00 41.25 39.41 2nnz s ASN 46 CO 0.22 0.07 0.61 -0.13 -1.51 0.00 0.00 177.10 176.36 2nnz s ARG 47 N 1.02 4.32 -0.07 -0.60 1.81 -1.26 -3.69 118.95 120.48 2nnz s ARG 47 Ca 0.05 0.77 -0.25 0.00 -1.72 0.00 0.00 55.73 54.58 2nnz s ARG 47 Cb -0.14 -3.32 0.06 0.00 -0.45 0.00 0.00 34.95 31.09 2nnz s ARG 47 CO 0.03 0.41 0.57 -0.46 -0.68 0.00 0.00 175.30 175.18 2nnz s TRP 48 N -0.35 -0.53 -0.26 -0.53 -0.11 -0.89 -4.95 118.94 111.31 2nnz s TRP 48 Ca 0.31 0.98 -0.02 0.00 1.22 0.00 0.00 56.10 58.59 2nnz s TRP 48 Cb -0.19 0.30 -0.09 0.00 -1.50 0.00 0.00 33.47 31.99 2nnz s TRP 48 CO 0.18 -0.50 0.84 0.41 -4.62 0.00 0.00 176.95 173.26 2nnz n GLY 49 N 1.31 -0.13 4.29 5.86 0.00 -1.26 -0.64 105.19 114.62 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 2.70 0.00 -4.70 1.61 2.03 -1.26 -3.89 116.55 113.03 2nnz n ASP 50 Ca 0.18 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.07 2nnz n ASP 50 Cb 0.18 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.55 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 4.41 -0.10 -0.67 2.12 0.19 -4.60 118.70 120.05 2nnz s GLU 51 Ca 0.00 1.73 -0.01 0.00 0.36 0.00 0.00 54.97 57.05 2nnz s GLU 51 Cb 0.00 -3.43 0.03 0.00 0.26 0.00 0.00 34.13 30.99 2nnz s GLU 51 CO 0.00 -0.32 -0.04 -1.50 -0.54 0.00 0.00 175.26 172.86 2nnz s ILE 52 N 1.50 0.73 -0.08 -3.70 1.10 -1.26 -2.09 121.20 117.40 2nnz s ILE 52 Ca 0.58 -0.14 0.00 0.00 -0.51 0.00 0.00 60.65 60.59 2nnz s ILE 52 Cb -0.28 -0.83 0.02 0.00 0.15 0.00 0.00 42.46 41.52 2nnz s ILE 52 CO 0.27 0.29 -0.07 -0.72 -2.11 0.00 0.00 174.94 172.60 2nnz s TYR 53 N 1.83 1.16 0.04 3.50 -0.85 -1.24 -2.95 117.35 118.83 2nnz s TYR 53 Ca 0.05 -0.46 0.05 0.00 -0.52 0.00 0.00 57.07 56.18 2nnz s TYR 53 Cb -0.13 -0.98 -0.02 0.00 0.38 0.00 0.00 41.96 41.21 2nnz s TYR 53 CO -0.07 -0.34 -0.14 -0.59 -1.52 0.00 0.00 175.55 172.89 2nnz s PHE 54 N 1.28 1.25 0.06 -3.49 -0.12 -1.19 -3.51 117.98 112.26 2nnz s PHE 54 Ca -0.04 -0.36 -0.11 0.00 -0.05 0.00 0.00 56.93 56.37 2nnz s PHE 54 Cb -0.14 -0.74 -0.06 0.00 -0.63 0.00 0.00 43.02 41.45 2nnz s PHE 54 CO -0.03 0.04 0.40 0.99 -0.05 0.00 0.00 175.22 176.57 2nnz s THR 55 N -0.86 5.09 -0.13 -4.49 2.01 -1.26 -3.58 115.64 112.41 2nnz s THR 55 Ca 0.02 0.52 0.01 0.00 0.31 0.00 0.00 61.69 62.55 2nnz s THR 55 Cb -0.08 -3.65 0.03 0.00 0.01 0.00 0.00 72.50 68.80 2nnz s THR 55 CO 0.01 0.34 0.85 0.35 -0.69 0.00 0.00 174.62 175.49 2nnz n THR 56 N 1.08 0.64 -0.23 -0.82 -2.24 -1.26 -4.35 114.28 107.10 2nnz n THR 56 Ca -0.09 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 2nnz n THR 56 Cb 0.52 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.22 0.00 -2.87 -0.78 1.13 -1.26 -4.98 117.38 108.41 2nnz n GLN 57 Ca 0.01 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.65 2nnz n GLN 57 Cb 0.19 -1.56 -0.04 0.00 0.11 0.00 0.00 30.24 28.93 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 -3.12 4.72 -0.71 5.09 0.11 -1.26 -5.00 120.40 120.24 2nnz s VAL 58 Ca 0.00 1.31 -0.15 0.00 -2.93 0.00 0.00 61.98 60.21 2nnz s VAL 58 Cb 0.00 -4.22 0.17 0.00 -1.53 0.00 0.00 36.38 30.80 2nnz s VAL 58 CO 0.00 -0.31 0.69 0.00 -3.33 0.00 0.00 175.10 172.14 2nnz s ALA 59 N 3.13 3.82 -0.26 1.54 0.00 -1.26 -4.88 121.76 123.86 2nnz s ALA 59 Ca 0.36 -2.91 0.01 0.00 0.00 0.00 0.00 51.96 49.42 2nnz s ALA 59 Cb -0.14 -3.46 0.07 0.00 0.00 0.00 0.00 23.12 19.59 2nnz s ALA 59 CO 0.13 -2.23 -0.01 0.54 0.00 0.00 0.00 175.76 174.19 2nnz s VAL 60 N 1.07 1.51 -0.03 0.00 0.11 -1.26 -5.11 120.40 116.69 2nnz s VAL 60 Ca 0.13 -1.41 0.02 0.00 -2.93 0.00 0.00 61.98 57.79 2nnz s VAL 60 Cb -0.18 -1.89 0.01 0.00 -1.53 0.00 0.00 36.38 32.78 2nnz s VAL 60 CO -0.03 -0.28 -0.07 -1.61 -3.33 0.00 0.00 175.10 169.78 2nnz s GLU 61 N 1.37 0.88 0.16 1.54 2.02 -1.26 -4.72 118.70 118.69 2nnz s GLU 61 Ca -0.00 -0.22 -0.19 0.00 0.02 0.00 0.00 54.97 54.57 2nnz s GLU 61 Cb -0.19 -0.84 0.05 0.00 0.10 0.00 0.00 34.13 33.25 2nnz s GLU 61 CO -0.10 0.04 0.50 0.21 0.02 0.00 0.00 175.26 175.94 2nnz s LYS 62 N 0.42 1.22 -0.76 1.61 2.47 -1.26 -5.11 119.74 118.34 2nnz s LYS 62 Ca -0.06 -0.66 -0.17 0.00 -1.56 0.00 0.00 55.97 53.52 2nnz s LYS 62 Cb -0.10 0.53 0.15 0.00 -1.46 0.00 0.00 37.83 36.95 2nnz s LYS 62 CO 0.00 -0.51 0.82 -2.00 0.16 0.00 0.00 175.35 173.82 2nnz s GLU 63 N -3.80 3.38 -0.20 4.03 2.56 -1.26 -4.96 118.70 118.45 2nnz s GLU 63 Ca 0.04 -1.87 -0.29 0.00 0.00 0.00 0.00 54.97 52.84 2nnz s GLU 63 Cb 0.00 -4.49 0.14 0.00 2.00 0.00 0.00 34.13 31.78 2nnz s GLU 63 CO -0.10 -1.49 1.07 -1.83 -0.56 0.00 0.00 175.26 172.34 2nnz s GLU 64 N 1.70 0.49 0.00 4.30 -1.05 -1.26 -5.03 118.70 117.84 2nnz s GLU 64 Ca 0.18 0.18 0.00 0.00 -0.15 0.00 0.00 54.97 55.18 2nnz s GLU 64 Cb -0.15 0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.77 2nnz s GLU 64 CO -0.03 -0.14 0.00 -1.71 0.95 0.00 0.00 175.26 174.33 2nnz n ASN 65 N 0.92 0.00 -0.99 0.83 2.85 -1.26 -4.87 115.26 112.74 2nnz n ASN 65 Ca -0.09 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.36 2nnz n ASN 65 Cb 0.58 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.60 2nnz n ASN 65 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2nnz n SER 66 N 2.77 -0.42 -4.94 1.20 2.88 -1.26 -4.92 113.62 108.94 2nnz n SER 66 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.34 2nnz n SER 66 Cb 0.00 -0.11 -0.02 0.00 -0.75 0.00 0.00 64.21 63.33 2nnz n SER 66 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2nnz s LYS 67 N -0.13 3.22 0.00 -1.46 0.00 0.18 -4.57 119.74 116.97 2nnz s LYS 67 Ca 0.02 -0.91 0.00 0.00 0.00 0.00 0.00 55.97 55.08 2nnz s LYS 67 Cb -0.00 -2.78 0.00 0.00 0.00 0.00 0.00 37.83 35.05 2nnz s LYS 67 CO 0.04 0.32 0.44 -0.40 0.00 0.00 0.00 175.35 175.75 2nnz n ASP 68 N -1.41 0.87 -3.93 0.03 5.75 -1.26 -0.21 116.55 116.38 2nnz n ASP 68 Ca -0.06 -1.08 -0.13 0.00 -0.01 0.00 0.00 54.79 53.51 2nnz n ASP 68 Cb 0.58 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.53 2nnz n ASP 68 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2nnz s VAL 69 N -0.08 0.19 0.10 2.12 1.01 -1.26 -4.59 120.40 117.89 2nnz s VAL 69 Ca 0.00 -0.30 -0.23 0.00 0.00 0.00 0.00 61.98 61.46 2nnz s VAL 69 Cb 0.00 -0.20 0.06 0.00 0.00 0.00 0.00 36.38 36.24 2nnz s VAL 69 CO 0.00 -0.07 0.55 0.68 0.00 0.00 0.00 175.10 176.26 2nnz s VAL 70 N -0.37 0.02 0.23 2.92 -7.23 -1.26 -5.10 120.40 109.61 2nnz s VAL 70 Ca -0.03 -0.16 -0.06 0.00 -1.81 0.00 0.00 61.98 59.92 2nnz s VAL 70 Cb -0.03 -1.02 -0.06 0.00 0.56 0.00 0.00 36.38 35.83 2nnz s VAL 70 CO -0.00 -0.09 0.50 -1.61 -0.31 0.00 0.00 175.10 173.59 2nnz s GLU 71 N -3.14 3.67 -0.06 4.82 2.02 -1.26 -4.89 118.70 119.86 2nnz s GLU 71 Ca -0.02 0.05 -0.38 0.00 0.02 0.00 0.00 54.97 54.64 2nnz s GLU 71 Cb -0.00 -2.70 -0.16 0.00 0.10 0.00 0.00 34.13 31.36 2nnz s GLU 71 CO -0.07 0.31 1.51 -0.11 0.02 0.00 0.00 175.26 176.92 2nnz n LEU 72 N -0.45 1.98 0.00 1.80 7.94 -1.26 -2.34 117.00 124.67 2nnz n LEU 72 Ca -0.01 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 2nnz n LEU 72 Cb 0.53 -1.18 0.00 0.00 0.53 0.00 0.00 43.42 43.30 2nnz n LEU 72 CO 0.47 -0.78 0.00 0.61 -1.11 0.00 0.00 177.39 176.59 2nnz n GLY 73 N 3.23 1.53 3.81 -3.96 0.00 -1.26 -5.10 105.19 103.44 2nnz n GLY 73 Ca 0.22 -0.22 -0.32 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 5.79 0.14 1.61 1.47 -0.99 -3.35 116.67 120.98 2nnz s ASP 74 Ca 0.00 1.71 0.08 0.00 1.18 0.00 0.00 52.55 55.52 2nnz s ASP 74 Cb 0.00 -2.52 -0.04 0.00 -0.34 0.00 0.00 42.92 40.02 2nnz s ASP 74 CO 0.00 -1.16 -0.08 -0.69 0.68 0.00 0.00 175.17 173.92 2nnz s VAL 75 N -2.67 3.37 -0.03 2.11 1.01 0.40 -4.59 120.40 120.00 2nnz s VAL 75 Ca 0.61 -1.43 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 2nnz s VAL 75 Cb -0.14 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.64 2nnz s VAL 75 CO 0.42 -0.00 0.37 0.00 0.00 0.00 0.00 175.10 175.88 2nnz s ALA 76 N -1.47 -0.93 -0.12 5.51 0.00 -1.25 -1.97 121.76 121.53 2nnz s ALA 76 Ca 0.24 0.51 -0.04 0.00 0.00 0.00 0.00 51.96 52.66 2nnz s ALA 76 Cb -0.10 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 2nnz s ALA 76 CO 0.15 -0.27 0.05 -0.47 0.00 0.00 0.00 175.76 175.22 2nnz s TYR 77 N -1.22 3.29 -0.51 0.00 5.04 0.10 -2.80 117.35 121.25 2nnz s TYR 77 Ca -0.12 0.24 -0.29 0.00 -2.44 0.00 0.00 57.07 54.46 2nnz s TYR 77 Cb -0.04 -1.89 0.02 0.00 0.35 0.00 0.00 41.96 40.40 2nnz s TYR 77 CO 0.05 0.46 1.23 -0.46 -1.34 0.00 0.00 175.55 175.50 2nnz s TRP 78 N -0.63 2.62 0.01 4.97 -0.11 0.29 -1.40 118.94 124.68 2nnz s TRP 78 Ca 0.11 0.59 -0.11 0.00 1.22 0.00 0.00 56.10 57.91 2nnz s TRP 78 Cb -0.12 -4.44 -0.06 0.00 -1.50 0.00 0.00 33.47 27.35 2nnz s TRP 78 CO 0.02 -1.57 0.97 0.82 -4.62 0.00 0.00 176.95 172.57 2nnz h ILE 79 N 6.27 0.00 -0.08 5.86 2.04 -1.81 -1.98 117.51 127.81 2nnz h ILE 79 Ca -0.25 -0.07 -0.15 0.00 1.00 0.00 0.00 64.86 65.39 2nnz h ILE 79 Cb 1.07 0.00 0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2nnz h ILE 79 CO 1.15 0.00 0.38 -0.81 0.00 0.00 0.00 178.15 178.87 2nnz n PRO 80 N -3.25 0.18 0.00 2.37 -0.04 -1.26 -0.36 135.00 132.63 2nnz n PRO 80 Ca -0.05 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 2nnz n PRO 80 Cb 0.16 -3.63 0.00 0.00 -0.04 0.00 0.00 33.50 29.99 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 5.86 0.43 2.94 0.55 0.00 -1.26 -4.88 105.19 108.84 2nnz n GLY 81 Ca 0.43 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.24 2nnz n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nnz n LYS 82 N 0.00 -3.46 -4.97 1.61 4.01 0.51 -4.96 118.16 110.90 2nnz n LYS 82 Ca 0.00 0.70 -0.32 0.00 -0.51 0.00 0.00 58.31 58.18 2nnz n LYS 82 Cb 0.00 -5.43 -0.15 0.00 -0.51 0.00 0.00 35.03 28.94 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 -2.95 2.49 0.30 7.82 0.00 -0.78 -4.64 121.76 124.00 2nnz s ALA 83 Ca 0.24 -0.97 -0.13 0.00 0.00 0.00 0.00 51.96 51.10 2nnz s ALA 83 Cb -0.12 -0.97 -0.08 0.00 0.00 0.00 0.00 23.12 21.95 2nnz s ALA 83 CO 0.29 0.40 0.68 0.42 0.00 0.00 0.00 175.76 177.55 2nnz s ILE 84 N -0.15 4.76 0.05 0.00 1.01 -1.24 0.11 121.20 125.73 2nnz s ILE 84 Ca -0.02 0.79 -0.05 0.00 0.00 0.00 0.00 60.65 61.37 2nnz s ILE 84 Cb -0.14 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 2nnz s ILE 84 CO 0.04 -0.16 0.09 0.00 0.00 0.00 0.00 174.94 174.90 2nnz s LEU 86 N -2.31 3.10 -0.01 0.00 1.43 -1.15 -3.85 118.68 115.89 2nnz s LEU 86 Ca -0.02 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.46 2nnz s LEU 86 Cb 0.01 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.55 2nnz s LEU 86 CO -0.06 0.04 -0.04 -0.36 0.23 0.00 0.00 176.35 176.17 2nnz s PHE 87 N -2.09 0.40 -0.19 0.29 0.08 -1.26 -4.02 117.98 111.19 2nnz s PHE 87 Ca 0.29 -0.07 0.03 0.00 0.12 0.00 0.00 56.93 57.29 2nnz s PHE 87 Cb -0.07 -0.29 0.09 0.00 -0.57 0.00 0.00 43.02 42.18 2nnz s PHE 87 CO 0.18 -0.03 0.90 0.34 -0.10 0.00 0.00 175.22 176.50 2nnz n PHE 88 N 3.17 -0.51 0.00 0.36 7.35 -1.26 -4.62 117.46 121.95 2nnz n PHE 88 Ca -0.15 -0.59 0.00 0.00 -0.76 0.00 0.00 57.45 55.95 2nnz n PHE 88 Cb 0.57 0.98 0.00 0.00 0.35 0.00 0.00 39.48 41.38 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 -0.43 -1.63 0.00 7.13 0.00 -1.26 -4.93 105.19 104.06 2nnz n GLY 89 Ca -0.14 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 0.81 -2.23 1.61 -0.00 -1.26 -4.81 118.16 112.28 2nnz n LYS 90 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 2nnz n LYS 90 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.04 2nnz n LYS 90 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2nnz n THR 91 N 0.00 0.00 0.16 0.58 -1.04 -1.25 -4.01 114.28 108.72 2nnz n THR 91 Ca 0.00 -0.32 0.14 0.00 -2.04 0.00 0.00 64.05 61.83 2nnz n THR 91 Cb 0.00 0.36 0.43 0.00 -1.82 0.00 0.00 70.33 69.30 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 -1.93 -2.82 0.11 -1.88 -2.87 132.00 122.60 2nnz h PRO 92 Ca -0.12 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.46 2nnz h PRO 92 Cb 0.49 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 31.24 2nnz h PRO 92 CO 0.16 0.00 -1.01 -0.89 -0.21 0.00 0.00 178.00 176.05 2nnz n ILE 93 N -2.98 -0.78 0.23 4.15 -0.00 -1.26 -4.94 119.36 113.79 2nnz n ILE 93 Ca 0.06 -3.57 0.08 0.00 -0.00 0.00 0.00 62.75 59.33 2nnz n ILE 93 Cb 0.91 -1.53 0.41 0.00 -0.00 0.00 0.00 39.64 39.43 2nnz n ILE 93 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 2nnz n SER 94 N 1.87 0.41 -1.37 4.38 7.64 -1.09 -3.46 113.62 122.00 2nnz n SER 94 Ca 0.23 0.65 -0.09 0.00 1.01 0.00 0.00 58.87 60.67 2nnz n SER 94 Cb 0.52 -0.72 -0.06 0.00 -1.01 0.00 0.00 64.21 62.94 2nnz n SER 94 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2nnz n ASP 95 N -2.01 -0.28 -2.88 6.43 -0.08 -1.26 0.11 116.55 116.58 2nnz n ASP 95 Ca 0.00 -0.10 -0.09 0.00 -1.51 0.00 0.00 54.79 53.09 2nnz n ASP 95 Cb 0.09 -0.20 -0.01 0.00 2.34 0.00 0.00 41.12 43.34 2nnz n ASP 95 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2nnz n ASP 96 N 2.15 -1.52 0.00 1.67 2.03 -1.26 -4.77 116.55 114.85 2nnz n ASP 96 Ca 0.21 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.66 2nnz n ASP 96 Cb 0.03 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.03 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 -2.85 0.00 -3.39 -0.67 4.76 0.30 -5.11 118.16 111.20 2nnz n LYS 97 Ca 0.01 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 55.00 2nnz n LYS 97 Cb 0.50 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.63 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 -2.00 5.03 -0.58 -0.18 1.01 -1.26 -3.71 121.20 119.51 2nnz s ILE 98 Ca 0.00 -1.36 -0.16 0.00 0.00 0.00 0.00 60.65 59.12 2nnz s ILE 98 Cb 0.00 -4.14 0.13 0.00 0.01 0.00 0.00 42.46 38.46 2nnz s ILE 98 CO 0.00 -0.72 0.57 -0.13 0.00 0.00 0.00 174.94 174.66 2nnz s ARG 99 N 1.58 3.06 0.32 2.79 1.81 -1.22 -4.66 118.95 122.62 2nnz s ARG 99 Ca 0.04 -1.69 0.10 0.00 -1.72 0.00 0.00 55.73 52.45 2nnz s ARG 99 Cb -0.27 -4.31 0.54 0.00 -0.45 0.00 0.00 34.95 30.47 2nnz s ARG 99 CO 0.04 -1.38 1.74 -1.00 -0.68 0.00 0.00 175.30 174.02 2nnz h PRO 100 N 8.87 0.11 0.00 3.54 0.13 -1.93 -3.37 132.00 139.34 2nnz h PRO 100 Ca -0.26 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 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 1.03 0.52 0.00 0.00 -0.23 0.00 0.00 178.00 179.32 2nnz n ALA 101 N -2.46 0.00 0.31 -0.56 0.00 -1.26 -4.90 120.51 111.64 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 0.47 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.95 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 0.05 1.57 -2.69 0.00 7.64 -1.26 -4.76 113.62 114.16 2nnz n SER 102 Ca 0.00 -1.28 -0.06 0.00 1.01 0.00 0.00 58.87 58.54 2nnz n SER 102 Cb 0.00 0.04 0.07 0.00 -1.01 0.00 0.00 64.21 63.32 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 0.35 -2.78 -2.36 -0.43 0.00 -1.25 -4.73 120.51 109.30 2nnz n ALA 103 Ca 0.04 -0.68 -0.29 0.00 0.00 0.00 0.00 53.44 52.51 2nnz n ALA 103 Cb 0.18 -2.59 -0.15 0.00 0.00 0.00 0.00 19.45 16.89 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 0.27 1.93 0.43 0.00 -7.23 0.70 -3.71 120.40 112.79 2nnz s VAL 104 Ca 0.27 -1.14 -0.17 0.00 -1.81 0.00 0.00 61.98 59.13 2nnz s VAL 104 Cb 0.23 -1.63 -0.09 0.00 0.56 0.00 0.00 36.38 35.45 2nnz s VAL 104 CO -0.14 0.46 0.88 0.20 -0.31 0.00 0.00 175.10 176.19 2nnz s ASN 105 N -0.80 6.74 -0.72 4.85 0.02 -0.50 0.48 114.94 125.01 2nnz s ASN 105 Ca 0.10 1.47 -0.21 0.00 -1.02 0.00 0.00 52.86 53.20 2nnz s ASN 105 Cb -0.09 -2.46 0.09 0.00 0.02 0.00 0.00 41.25 38.81 2nnz s ASN 105 CO 0.00 -0.40 0.98 0.68 0.02 0.00 0.00 177.10 178.39 2nnz s VAL 106 N -2.29 4.47 -0.70 1.60 -7.23 -1.26 0.00 120.40 114.99 2nnz s VAL 106 Ca 0.58 -0.74 0.02 0.00 -1.81 0.00 0.00 61.98 60.03 2nnz s VAL 106 Cb -0.10 -4.69 0.12 0.00 0.56 0.00 0.00 36.38 32.27 2nnz s VAL 106 CO 0.22 -1.44 0.79 0.00 -0.31 0.00 0.00 175.10 174.36 2nnz n ILE 107 N 5.79 0.62 0.00 -0.62 3.06 -0.83 -4.71 119.36 122.66 2nnz n ILE 107 Ca 0.03 -0.23 0.00 0.00 -2.50 0.00 0.00 62.75 60.05 2nnz n ILE 107 Cb 0.46 -0.57 0.00 0.00 0.54 0.00 0.00 39.64 40.07 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 0.13 0.30 3.68 4.50 0.00 -1.22 -3.93 105.19 108.65 2nnz n GLY 108 Ca 0.05 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.33 1.61 0.52 -1.24 -0.45 118.95 120.65 2nnz s ARG 109 Ca 0.00 -1.00 -0.20 0.00 -0.52 0.00 0.00 55.73 54.02 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 -0.70 0.59 0.42 0.02 0.00 0.00 175.30 175.63 2nnz s ILE 110 N -3.92 4.95 0.00 1.52 1.09 -1.21 -1.93 121.20 121.70 2nnz s ILE 110 Ca 0.13 0.66 0.00 0.00 -1.10 0.00 0.00 60.65 60.34 2nnz s ILE 110 Cb -0.03 -4.00 0.00 0.00 -1.06 0.00 0.00 42.46 37.37 2nnz s ILE 110 CO 0.04 -0.19 0.00 1.33 -0.10 0.00 0.00 174.94 176.02 2nnz n VAL 111 N 5.44 0.00 -4.77 2.92 0.24 -1.25 -4.99 118.33 115.91 2nnz n VAL 111 Ca -0.02 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.96 2nnz n VAL 111 Cb 0.49 -0.27 -0.17 0.00 -1.47 0.00 0.00 33.84 32.42 2nnz n VAL 111 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2nnz s ASN 112 N -1.00 3.09 0.00 -1.34 4.22 -1.26 -4.88 114.94 113.77 2nnz s ASN 112 Ca 0.00 -0.59 0.00 0.00 -2.14 0.00 0.00 52.86 50.13 2nnz s ASN 112 Cb 0.00 -1.43 0.00 0.00 1.28 0.00 0.00 41.25 41.10 2nnz s ASN 112 CO 0.00 0.09 0.00 -0.24 -2.04 0.00 0.00 177.10 174.91 2nnz n SER 113 N 3.96 0.00 0.00 3.54 2.88 -1.26 -4.55 113.62 118.20 2nnz n SER 113 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 2nnz n SER 113 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 0.00 0.00 -3.11 -1.46 1.56 -1.26 -4.87 117.12 107.98 2nnz n MET 114 Ca 0.00 0.00 -0.23 0.00 -0.27 0.00 0.00 57.70 57.20 2nnz n MET 114 Cb 0.00 0.00 0.03 0.00 2.15 0.00 0.00 33.22 35.40 2nnz n MET 114 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2nnz n GLU 115 N -1.37 -4.64 -1.32 2.12 1.02 -1.26 -4.86 120.64 110.33 2nnz n GLU 115 Ca 0.00 0.81 0.03 0.00 -0.02 0.00 0.00 57.16 57.98 2nnz n GLU 115 Cb 0.00 -5.65 0.02 0.00 -0.02 0.00 0.00 31.44 25.79 2nnz n GLU 115 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2nnz n GLY 116 N -1.46 0.91 0.41 0.62 0.00 -1.26 -4.88 105.19 99.53 2nnz n GLY 116 Ca -0.09 -0.69 0.20 0.00 0.00 0.00 0.00 46.02 45.44 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 0.82 0.34 -1.40 0.99 5.85 -1.89 -1.41 115.31 118.61 2nnz h LEU 117 Ca -0.19 0.03 0.32 0.00 0.84 0.00 0.00 57.88 58.88 2nnz h LEU 117 Cb 1.81 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.76 2nnz h LEU 117 CO 0.08 0.14 1.12 0.07 -0.34 0.00 0.00 178.44 179.51 2nnz h LYS 118 N 0.34 0.00 -1.09 1.25 5.09 -1.90 0.35 116.57 120.62 2nnz h LYS 118 Ca 0.45 0.00 -0.18 0.00 0.09 0.00 0.00 60.65 61.01 2nnz h LYS 118 Cb 1.21 0.00 -0.10 0.00 0.10 0.00 0.00 32.23 33.44 2nnz h LYS 118 CO -0.14 0.00 0.23 0.41 -2.09 0.00 0.00 179.45 177.85 2nnz n GLY 119 N -1.72 2.92 3.84 0.07 0.00 -0.53 -4.72 105.19 105.05 2nnz n GLY 119 Ca 0.24 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.15 4.50 0.36 1.61 -7.23 0.12 -5.05 120.40 113.58 2nnz s VAL 120 Ca 0.19 1.22 -0.24 0.00 -1.81 0.00 0.00 61.98 61.34 2nnz s VAL 120 Cb 0.16 -3.70 -0.10 0.00 0.56 0.00 0.00 36.38 33.29 2nnz s VAL 120 CO 0.03 -0.66 0.95 0.00 -0.31 0.00 0.00 175.10 175.11 2nnz s ALA 121 N -2.59 3.14 -0.26 1.32 0.00 -1.26 -4.94 121.76 117.17 2nnz s ALA 121 Ca 0.59 0.48 -0.33 0.00 0.00 0.00 0.00 51.96 52.70 2nnz s ALA 121 Cb -0.10 -3.17 -0.09 0.00 0.00 0.00 0.00 23.12 19.75 2nnz s ALA 121 CO 0.30 0.15 2.14 -0.40 0.00 0.00 0.00 175.76 177.96 2nnz n ASP 122 N 0.09 2.74 -2.05 0.00 5.75 -1.26 -4.00 116.55 117.82 2nnz n ASP 122 Ca 0.04 0.45 -0.03 0.00 -0.01 0.00 0.00 54.79 55.24 2nnz n ASP 122 Cb 0.52 -1.38 -0.02 0.00 -1.03 0.00 0.00 41.12 39.21 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 5.88 -4.21 3.30 6.12 0.00 -1.25 -4.97 105.19 110.06 2nnz n GLY 123 Ca 0.34 0.74 -0.14 0.00 0.00 0.00 0.00 46.02 46.96 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 -0.85 0.72 1.01 1.61 -1.05 -1.22 -5.00 118.70 113.91 2nnz s GLU 124 Ca -0.15 -0.02 -0.18 0.00 -0.15 0.00 0.00 54.97 54.48 2nnz s GLU 124 Cb 0.01 0.33 -0.04 0.00 -0.44 0.00 0.00 34.13 33.99 2nnz s GLU 124 CO 0.40 -0.20 -0.35 0.45 0.95 0.00 0.00 175.26 176.51 2nnz n SER 125 N 1.38 -3.49 -3.65 0.83 2.88 -1.26 -2.21 113.62 108.09 2nnz n SER 125 Ca -0.20 0.14 -0.07 0.00 -1.33 0.00 0.00 58.87 57.41 2nnz n SER 125 Cb 0.56 -0.91 -0.07 0.00 -0.75 0.00 0.00 64.21 63.04 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 -2.18 -0.18 -0.25 2.46 1.01 0.64 -4.19 120.40 117.71 2nnz s VAL 126 Ca 0.48 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.49 2nnz s VAL 126 Cb -0.13 -0.91 0.07 0.00 0.00 0.00 0.00 36.38 35.40 2nnz s VAL 126 CO 0.72 0.01 -0.03 0.68 0.00 0.00 0.00 175.10 176.48 2nnz s VAL 127 N 1.83 1.45 -0.06 2.92 -7.23 -1.22 0.11 120.40 118.19 2nnz s VAL 127 Ca -0.09 -1.26 -0.27 0.00 -1.81 0.00 0.00 61.98 58.55 2nnz s VAL 127 Cb -0.07 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.05 2nnz s VAL 127 CO -0.18 -0.20 0.86 -0.69 -0.31 0.00 0.00 175.10 174.58 2nnz s VAL 128 N 1.42 4.93 -0.20 1.32 1.01 -0.78 -3.66 120.40 124.43 2nnz s VAL 128 Ca -0.03 1.77 -0.11 0.00 0.00 0.00 0.00 61.98 63.61 2nnz s VAL 128 Cb -0.19 -4.19 0.06 0.00 0.00 0.00 0.00 36.38 32.07 2nnz s VAL 128 CO -0.08 0.16 0.49 -1.83 0.00 0.00 0.00 175.10 173.84 2nnz s GLU 129 N 1.22 0.49 -0.99 2.72 -1.05 -0.57 -1.10 118.70 119.41 2nnz s GLU 129 Ca 0.44 0.91 -0.23 0.00 -0.15 0.00 0.00 54.97 55.94 2nnz s GLU 129 Cb -0.19 0.03 0.01 0.00 -0.44 0.00 0.00 34.13 33.55 2nnz s GLU 129 CO 0.21 -0.15 1.64 0.50 0.95 0.00 0.00 175.26 178.41 2nnz s ARG 130 N 1.44 3.22 0.00 -4.83 3.00 -1.26 0.12 118.95 120.63 2nnz s ARG 130 Ca -0.09 -0.85 0.00 0.00 -1.00 0.00 0.00 55.73 53.78 2nnz s ARG 130 Cb -0.07 -5.26 0.00 0.00 0.00 0.00 0.00 34.95 29.62 2nnz s ARG 130 CO -0.14 -2.66 0.00 0.00 0.00 0.00 0.00 175.30 172.50