#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 3.45 1.85 -5.12 0.00 -1.26 -4.92 105.19 99.19 2nnz n GLY 2 Ca 0.00 -1.48 0.03 0.00 0.00 0.00 0.00 46.02 44.57 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 0.28 4.39 0.00 1.61 1.02 -1.26 -4.98 120.64 121.70 2nnz n GLU 3 Ca 0.00 -2.94 0.00 0.00 -0.02 0.00 0.00 57.16 54.20 2nnz n GLU 3 Cb 0.00 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 29.21 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 0.40 0.00 -0.78 3.49 3.00 -1.26 -1.86 116.66 119.65 2nnz n ARG 4 Ca 0.29 0.00 -0.04 0.00 -0.01 0.00 0.00 57.85 58.09 2nnz n ARG 4 Cb 1.19 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 33.61 2nnz n ARG 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2nnz n GLY 5 N 0.00 0.37 2.75 -0.13 0.00 -1.26 -5.02 105.19 101.91 2nnz n GLY 5 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 3.48 -2.60 1.61 0.24 -0.78 -3.84 118.33 116.44 2nnz n VAL 6 Ca -0.17 -5.57 -0.03 0.00 -2.04 0.00 0.00 64.34 56.54 2nnz n VAL 6 Cb 0.55 -1.67 0.11 0.00 -1.47 0.00 0.00 33.84 31.35 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 0.21 1.22 -3.68 7.34 -0.00 -1.22 -4.84 120.64 119.68 2nnz n GLU 7 Ca 0.33 -1.19 -0.39 0.00 -0.00 0.00 0.00 57.16 55.90 2nnz n GLU 7 Cb 0.37 0.43 -0.12 0.00 -0.00 0.00 0.00 31.44 32.13 2nnz n GLU 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 2nnz s MET 8 N 0.11 2.76 0.01 3.44 1.75 -1.17 -4.95 119.30 121.26 2nnz s MET 8 Ca 0.08 -1.10 0.02 0.00 -1.25 0.00 0.00 55.69 53.44 2nnz s MET 8 Cb 0.40 -3.59 -0.04 0.00 2.84 0.00 0.00 34.83 34.45 2nnz s MET 8 CO -0.12 -0.66 -0.01 -0.98 -0.65 0.00 0.00 175.02 172.60 2nnz s ARG 9 N 1.48 2.72 0.31 4.11 1.04 -1.26 -0.69 118.95 126.66 2nnz s ARG 9 Ca 0.00 -0.66 0.09 0.00 -1.04 0.00 0.00 55.73 54.13 2nnz s ARG 9 Cb -0.19 -2.63 -0.06 0.00 -2.04 0.00 0.00 34.95 30.03 2nnz s ARG 9 CO 0.05 0.61 -0.10 -0.48 -0.04 0.00 0.00 175.30 175.33 2nnz s LEU 10 N -1.65 2.63 -0.01 -1.89 2.34 -0.29 -4.41 118.68 115.39 2nnz s LEU 10 Ca 0.20 -1.16 0.00 0.00 0.06 0.00 0.00 54.13 53.23 2nnz s LEU 10 Cb -0.11 -0.89 -0.04 0.00 -0.56 0.00 0.00 46.19 44.59 2nnz s LEU 10 CO 0.11 -0.21 0.05 -0.60 -1.06 0.00 0.00 176.35 174.64 2nnz s ARG 11 N -3.63 2.95 -0.30 1.48 3.00 0.30 -2.78 118.95 119.98 2nnz s ARG 11 Ca 0.31 -0.53 0.00 0.00 -1.00 0.00 0.00 55.73 54.51 2nnz s ARG 11 Cb 0.02 -2.78 0.14 0.00 0.00 0.00 0.00 34.95 32.32 2nnz s ARG 11 CO 0.14 0.64 0.32 0.42 0.00 0.00 0.00 175.30 176.83 2nnz s ILE 12 N -1.14 -0.44 0.18 4.11 1.01 -1.12 -1.42 121.20 122.39 2nnz s ILE 12 Ca 0.21 -0.49 0.05 0.00 0.00 0.00 0.00 60.65 60.42 2nnz s ILE 12 Cb -0.12 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 2nnz s ILE 12 CO 0.12 -0.45 0.17 0.00 0.00 0.00 0.00 174.94 174.78 2nnz s ARG 13 N 2.32 2.97 -0.01 2.79 1.70 -1.25 -3.14 118.95 124.34 2nnz s ARG 13 Ca 0.10 -0.88 0.04 0.00 -0.47 0.00 0.00 55.73 54.52 2nnz s ARG 13 Cb -0.14 -2.67 -0.01 0.00 -0.57 0.00 0.00 34.95 31.57 2nnz s ARG 13 CO -0.30 0.47 -0.13 -0.06 -1.08 0.00 0.00 175.30 174.19 2nnz s PHE 14 N -1.83 1.22 0.57 5.89 0.40 0.35 -3.54 117.98 121.05 2nnz s PHE 14 Ca 0.32 -0.25 0.39 0.00 -0.60 0.00 0.00 56.93 56.79 2nnz s PHE 14 Cb -0.10 -0.80 1.48 0.00 0.51 0.00 0.00 43.02 44.12 2nnz s PHE 14 CO 0.24 -0.04 1.62 0.93 0.70 0.00 0.00 175.22 178.67 2nnz h GLU 15 N 5.91 0.00 0.00 0.44 3.07 -1.92 0.58 114.58 122.66 2nnz h GLU 15 Ca -0.34 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.52 2nnz h GLU 15 Cb 1.17 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 2nnz h GLU 15 CO 0.49 0.00 -0.18 0.43 -1.40 0.00 0.00 179.01 178.35 2nnz n SER 16 N -3.83 2.04 -3.62 1.42 7.64 -1.26 -5.05 113.62 110.95 2nnz n SER 16 Ca 0.31 -3.24 -0.05 0.00 1.01 0.00 0.00 58.87 56.90 2nnz n SER 16 Cb 1.55 -0.44 -0.04 0.00 -1.01 0.00 0.00 64.21 64.26 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 -2.79 -2.07 -0.03 -0.43 0.00 0.20 -4.89 121.76 111.76 2nnz s ALA 17 Ca 0.32 1.78 0.06 0.00 0.00 0.00 0.00 51.96 54.12 2nnz s ALA 17 Cb 0.29 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 2nnz s ALA 17 CO -0.00 -0.31 -0.20 -1.83 0.00 0.00 0.00 175.76 173.42 2nnz s GLU 18 N -1.23 1.77 -0.11 0.00 -1.05 -1.26 0.13 118.70 116.95 2nnz s GLU 18 Ca 0.06 -0.71 -0.30 0.00 -0.15 0.00 0.00 54.97 53.87 2nnz s GLU 18 Cb -0.01 -1.64 0.09 0.00 -0.44 0.00 0.00 34.13 32.14 2nnz s GLU 18 CO -0.05 0.38 0.81 0.00 0.95 0.00 0.00 175.26 177.36 2nnz s GLU 20 N -1.04 1.45 -0.10 0.00 2.02 -1.26 -2.79 118.70 116.99 2nnz s GLU 20 Ca -0.07 -1.60 -0.11 0.00 0.02 0.00 0.00 54.97 53.22 2nnz s GLU 20 Cb -0.01 -1.46 0.03 0.00 0.10 0.00 0.00 34.13 32.79 2nnz s GLU 20 CO 0.06 0.28 0.29 0.14 0.02 0.00 0.00 175.26 176.05 2nnz s VAL 21 N -2.46 0.01 0.56 2.63 -7.23 -1.12 -3.76 120.40 109.03 2nnz s VAL 21 Ca 0.23 -0.06 0.05 0.00 -1.81 0.00 0.00 61.98 60.39 2nnz s VAL 21 Cb -0.04 -0.43 0.10 0.00 0.56 0.00 0.00 36.38 36.57 2nnz s VAL 21 CO 0.10 -0.03 0.77 -0.62 -0.31 0.00 0.00 175.10 175.01 2nnz n GLU 22 N 2.74 0.37 -3.68 4.82 1.02 -0.54 -1.14 120.64 124.23 2nnz n GLU 22 Ca -0.14 -2.58 -0.14 0.00 -0.02 0.00 0.00 57.16 54.28 2nnz n GLU 22 Cb 0.58 -0.36 -0.08 0.00 -0.02 0.00 0.00 31.44 31.55 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 0.12 0.06 -4.62 2.96 0.13 -3.54 118.68 113.78 2nnz s LEU 23 Ca 0.55 0.72 0.06 0.00 -0.22 0.00 0.00 54.13 55.25 2nnz s LEU 23 Cb -0.04 1.78 -0.03 0.00 0.50 0.00 0.00 46.19 48.41 2nnz s LEU 23 CO 0.36 -0.33 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.56 2nnz s TYR 24 N -0.43 1.55 -0.91 5.38 2.02 -1.26 -3.01 117.35 120.68 2nnz s TYR 24 Ca -0.06 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 2nnz s TYR 24 Cb -0.03 -0.90 0.00 0.00 -0.40 0.00 0.00 41.96 40.63 2nnz s TYR 24 CO 0.03 0.09 0.89 0.39 -1.57 0.00 0.00 175.55 175.39 2nnz n GLU 25 N 1.65 0.00 -0.32 -0.62 1.02 -1.25 -3.06 120.64 118.06 2nnz n GLU 25 Ca -0.18 0.40 0.35 0.00 -0.02 0.00 0.00 57.16 57.71 2nnz n GLU 25 Cb 0.54 -1.57 0.70 0.00 -0.02 0.00 0.00 31.44 31.09 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 -1.93 0.59 114.58 120.84 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 0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2nnz h GLU 26 CO 0.00 0.00 -0.09 2.35 0.07 0.00 0.00 179.01 181.34 2nnz h TRP 27 N 0.00 0.00 0.00 2.06 7.01 -1.80 -3.46 115.95 119.76 2nnz h TRP 27 Ca 0.57 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.57 2nnz h TRP 27 Cb 2.54 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 29.60 2nnz h TRP 27 CO 0.00 0.40 0.00 0.00 -2.79 0.00 0.00 178.44 176.05 2nnz n ALA 28 N -2.81 0.00 -0.37 2.65 0.00 0.20 -4.68 120.51 115.50 2nnz n ALA 28 Ca -0.05 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.69 2nnz n ALA 28 Cb 0.21 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.25 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 0.22 0.22 0.00 0.10 -1.93 -0.51 132.00 130.11 2nnz h PRO 29 Ca 0.00 -0.01 -0.01 0.00 0.10 0.00 0.00 66.00 66.08 2nnz h PRO 29 Cb 0.00 -0.05 -0.00 0.00 0.10 0.00 0.00 31.00 31.04 2nnz h PRO 29 CO 0.00 0.15 -0.14 0.93 0.10 0.00 0.00 178.00 179.04 2nnz h GLU 30 N 0.23 -0.34 -0.40 1.05 3.07 -1.95 -2.77 114.58 113.46 2nnz h GLU 30 Ca 0.68 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.55 2nnz h GLU 30 Cb 2.02 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.99 2nnz h GLU 30 CO -0.31 -0.23 0.18 1.79 -1.40 0.00 0.00 179.01 179.04 2nnz h THR 31 N -0.35 1.19 -1.21 1.13 1.35 -1.49 -2.36 112.91 111.16 2nnz h THR 31 Ca -0.02 -0.55 0.35 0.00 -0.55 0.00 0.00 66.41 65.64 2nnz h THR 31 Cb 0.30 0.80 -0.05 0.00 -1.73 0.00 0.00 68.15 67.47 2nnz h THR 31 CO 0.02 0.20 0.87 0.58 -0.25 0.00 0.00 175.52 176.94 2nnz h VAL 32 N 0.51 0.40 -0.80 6.82 2.07 -1.24 0.27 116.25 124.27 2nnz h VAL 32 Ca 0.14 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 2nnz h VAL 32 Cb 0.15 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 2nnz h VAL 32 CO -0.01 0.00 0.49 -0.09 0.02 0.00 0.00 177.57 177.98 2nnz h ARG 33 N 0.00 1.08 -0.18 1.57 2.43 -1.14 -2.51 114.38 115.65 2nnz h ARG 33 Ca 0.57 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.63 2nnz h ARG 33 Cb 2.30 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 31.62 2nnz h ARG 33 CO -0.01 0.75 0.00 0.00 -1.51 0.00 0.00 179.97 179.21 2nnz h ALA 34 N 1.44 0.24 -0.18 2.80 0.00 -0.59 -1.07 119.26 121.90 2nnz h ALA 34 Ca 0.29 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.05 2nnz h ALA 34 Cb -0.06 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 2nnz h ALA 34 CO -0.06 -0.06 -0.18 0.82 0.00 0.00 0.00 179.25 179.77 2nnz h ILE 35 N 0.06 0.51 0.00 0.00 1.08 -1.49 0.98 117.51 118.66 2nnz h ILE 35 Ca 0.05 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.50 2nnz h ILE 35 Cb 0.37 0.51 -0.00 0.00 -3.07 0.00 0.00 36.82 34.63 2nnz h ILE 35 CO 0.01 0.00 -0.09 0.00 -0.69 0.00 0.00 178.15 177.38 2nnz h ALA 36 N 0.86 1.76 0.00 1.87 0.00 -1.41 -0.36 119.26 121.98 2nnz h ALA 36 Ca 0.11 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2nnz h ALA 36 Cb 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2nnz h ALA 36 CO -0.30 0.11 -0.30 0.22 0.00 0.00 0.00 179.25 178.98 2nnz h ASP 37 N 0.00 0.00 -1.76 0.00 3.58 0.48 -3.23 116.42 115.49 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 0.16 0.00 -0.24 0.00 1.72 0.00 0.00 39.33 40.97 2nnz h ASP 37 CO 0.01 0.30 0.92 0.00 -2.88 0.00 0.00 179.24 177.59 2nnz n ALA 38 N -2.28 6.49 -1.00 -0.78 0.00 -0.14 -5.00 120.51 117.80 2nnz n ALA 38 Ca -0.00 -3.88 0.00 0.00 0.00 0.00 0.00 53.44 49.56 2nnz n ALA 38 Cb 0.45 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 -0.10 0.00 -2.09 0.00 4.77 -1.22 -4.55 117.00 113.81 2nnz n LEU 39 Ca 0.52 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 56.25 2nnz n LEU 39 Cb 0.31 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 2nnz n LEU 39 CO 0.47 -0.46 0.93 -2.65 -1.33 0.00 0.00 177.39 174.35 2nnz n PRO 40 N -0.01 0.00 -3.80 3.23 -0.02 -0.34 -4.48 135.00 129.58 2nnz n PRO 40 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 2nnz n PRO 40 Cb 0.00 -0.72 -0.09 0.00 -0.02 0.00 0.00 33.50 32.67 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 3.46 0.06 0.07 4.25 1.01 -0.42 -4.96 121.20 124.68 2nnz s ILE 41 Ca 0.61 -0.51 -0.24 0.00 0.00 0.00 0.00 60.65 60.51 2nnz s ILE 41 Cb -0.67 -0.54 -0.06 0.00 0.01 0.00 0.00 42.46 41.19 2nnz s ILE 41 CO 0.28 -0.28 0.71 -0.54 0.00 0.00 0.00 174.94 175.12 2nnz s LYS 42 N -1.25 4.44 -0.01 2.79 1.02 -1.26 -2.07 119.74 123.41 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 -0.06 -3.31 0.01 0.00 -0.52 0.00 0.00 37.83 33.95 2nnz s LYS 42 CO 0.03 0.43 0.19 -1.54 -0.92 0.00 0.00 175.35 173.54 2nnz s SER 43 N -0.53 -0.05 -0.20 2.83 1.04 0.36 -4.89 113.70 112.26 2nnz s SER 43 Ca 0.35 -0.07 -0.09 0.00 0.48 0.00 0.00 55.95 56.62 2nnz s SER 43 Cb -0.21 0.25 -0.05 0.00 0.10 0.00 0.00 66.02 66.12 2nnz s SER 43 CO 0.22 -0.36 0.10 -0.89 0.98 0.00 0.00 173.24 173.29 2nnz s THR 44 N -1.23 5.08 -0.02 2.02 2.01 -1.26 0.28 115.64 122.52 2nnz s THR 44 Ca -0.13 0.07 -0.20 0.00 0.31 0.00 0.00 61.69 61.74 2nnz s THR 44 Cb -0.06 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.08 2nnz s THR 44 CO 0.02 0.44 0.57 0.00 -0.69 0.00 0.00 174.62 174.96 2nnz s ALA 45 N 0.44 3.49 -0.23 7.40 0.00 -0.75 -4.31 121.76 127.80 2nnz s ALA 45 Ca 0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 51.96 51.93 2nnz s ALA 45 Cb -0.12 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 2nnz s ALA 45 CO -0.00 0.15 0.06 -0.80 0.00 0.00 0.00 175.76 175.17 2nnz s ASN 46 N -0.10 5.17 0.13 0.00 0.01 -1.19 -3.49 114.94 115.47 2nnz s ASN 46 Ca 0.30 -0.16 -0.28 0.00 -0.71 0.00 0.00 52.86 52.01 2nnz s ASN 46 Cb -0.18 -1.92 -0.07 0.00 0.41 0.00 0.00 41.25 39.50 2nnz s ASN 46 CO 0.16 0.01 0.88 -0.13 -1.51 0.00 0.00 177.10 176.51 2nnz s ARG 47 N 1.36 4.67 -0.06 -0.60 1.81 -1.26 -3.56 118.95 121.30 2nnz s ARG 47 Ca 0.05 1.32 -0.22 0.00 -1.72 0.00 0.00 55.73 55.17 2nnz s ARG 47 Cb -0.15 -3.33 0.05 0.00 -0.45 0.00 0.00 34.95 31.07 2nnz s ARG 47 CO 0.03 0.36 0.49 -0.46 -0.68 0.00 0.00 175.30 175.04 2nnz s TRP 48 N -0.47 -0.43 -0.45 -0.53 -0.11 -0.78 -4.97 118.94 111.20 2nnz s TRP 48 Ca 0.42 0.79 -0.04 0.00 1.22 0.00 0.00 56.10 58.49 2nnz s TRP 48 Cb -0.23 0.24 -0.15 0.00 -1.50 0.00 0.00 33.47 31.82 2nnz s TRP 48 CO 0.28 -0.46 1.20 0.41 -4.62 0.00 0.00 176.95 173.77 2nnz n GLY 49 N 1.38 -0.22 4.19 5.86 0.00 -1.26 -0.82 105.19 114.32 2nnz n GLY 49 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 3.56 0.00 -4.75 1.61 2.03 -1.26 -3.79 116.55 113.96 2nnz n ASP 50 Ca 0.30 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.21 2nnz n ASP 50 Cb 0.19 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.53 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 4.78 -0.19 -0.67 -6.30 -0.00 -4.51 118.70 111.81 2nnz s GLU 51 Ca 0.00 1.53 -0.04 0.00 -2.50 0.00 0.00 54.97 53.96 2nnz s GLU 51 Cb 0.00 -3.29 0.06 0.00 0.00 0.00 0.00 34.13 30.90 2nnz s GLU 51 CO 0.00 0.39 0.05 -1.50 0.02 0.00 0.00 175.26 174.22 2nnz s ILE 52 N -0.85 0.33 -0.11 -3.70 1.10 -1.25 -1.87 121.20 114.85 2nnz s ILE 52 Ca 0.43 -0.44 0.04 0.00 -0.51 0.00 0.00 60.65 60.17 2nnz s ILE 52 Cb -0.26 -0.89 0.00 0.00 0.15 0.00 0.00 42.46 41.46 2nnz s ILE 52 CO 0.33 -0.23 -0.23 -0.72 -2.11 0.00 0.00 174.94 171.97 2nnz s TYR 53 N 1.95 2.59 0.02 3.50 -0.85 -1.23 -2.81 117.35 120.51 2nnz s TYR 53 Ca -0.00 -1.12 0.02 0.00 -0.52 0.00 0.00 57.07 55.45 2nnz s TYR 53 Cb -0.17 -1.74 -0.01 0.00 0.38 0.00 0.00 41.96 40.42 2nnz s TYR 53 CO -0.08 -0.46 -0.06 -0.59 -1.52 0.00 0.00 175.55 172.84 2nnz s PHE 54 N 0.46 0.49 0.14 -3.49 -0.12 -1.21 -3.18 117.98 111.07 2nnz s PHE 54 Ca -0.16 -0.27 -0.10 0.00 -0.05 0.00 0.00 56.93 56.36 2nnz s PHE 54 Cb -0.17 -0.30 -0.06 0.00 -0.63 0.00 0.00 43.02 41.85 2nnz s PHE 54 CO 0.06 -0.05 0.47 0.99 -0.05 0.00 0.00 175.22 176.64 2nnz s THR 55 N -0.68 5.01 0.00 -4.49 2.01 -1.26 -3.68 115.64 112.55 2nnz s THR 55 Ca -0.04 0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.44 2nnz s THR 55 Cb -0.05 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.80 2nnz s THR 55 CO -0.00 0.15 0.86 0.35 -0.69 0.00 0.00 174.62 175.28 2nnz n THR 56 N 0.49 0.72 -0.30 -0.82 -2.24 -1.26 -4.37 114.28 106.50 2nnz n THR 56 Ca -0.04 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 2nnz n THR 56 Cb 0.52 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 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 -0.36 0.00 -2.93 -0.78 6.02 -1.26 -4.99 117.38 113.08 2nnz n GLN 57 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 2nnz n GLN 57 Cb 0.20 -1.73 -0.05 0.00 1.02 0.00 0.00 30.24 29.69 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 -3.25 4.74 -0.62 5.09 0.11 -1.26 -5.00 120.40 120.21 2nnz s VAL 58 Ca 0.00 1.07 -0.10 0.00 -2.93 0.00 0.00 61.98 60.03 2nnz s VAL 58 Cb 0.00 -4.20 0.16 0.00 -1.53 0.00 0.00 36.38 30.81 2nnz s VAL 58 CO 0.00 -0.36 0.51 0.00 -3.33 0.00 0.00 175.10 171.92 2nnz s ALA 59 N 3.08 3.67 -0.27 1.54 0.00 -1.26 -4.88 121.76 123.64 2nnz s ALA 59 Ca 0.33 -2.94 0.01 0.00 0.00 0.00 0.00 51.96 49.36 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 0.15 -2.07 -0.01 0.54 0.00 0.00 0.00 175.76 174.36 2nnz s VAL 60 N 0.71 1.60 -0.03 0.00 0.11 -1.26 -5.11 120.40 116.41 2nnz s VAL 60 Ca 0.12 -1.47 0.05 0.00 -2.93 0.00 0.00 61.98 57.74 2nnz s VAL 60 Cb -0.21 -1.96 -0.01 0.00 -1.53 0.00 0.00 36.38 32.67 2nnz s VAL 60 CO -0.03 -0.28 -0.18 -1.61 -3.33 0.00 0.00 175.10 169.67 2nnz s GLU 61 N 1.32 1.63 0.18 1.54 2.02 -1.26 -4.83 118.70 119.31 2nnz s GLU 61 Ca -0.01 -0.65 -0.15 0.00 0.02 0.00 0.00 54.97 54.19 2nnz s GLU 61 Cb -0.19 -1.51 0.02 0.00 0.10 0.00 0.00 34.13 32.55 2nnz s GLU 61 CO -0.09 0.34 0.44 0.21 0.02 0.00 0.00 175.26 176.18 2nnz s LYS 62 N -0.26 1.29 -0.88 1.61 2.20 -1.26 -5.11 119.74 117.34 2nnz s LYS 62 Ca 0.03 -0.95 -0.11 0.00 -0.36 0.00 0.00 55.97 54.58 2nnz s LYS 62 Cb -0.09 0.47 0.23 0.00 -1.51 0.00 0.00 37.83 36.93 2nnz s LYS 62 CO 0.00 -0.52 0.81 -1.21 -0.36 0.00 0.00 175.35 174.07 2nnz s GLU 63 N -3.90 3.60 -0.14 4.03 8.01 -1.26 -4.98 118.70 124.07 2nnz s GLU 63 Ca 0.11 -2.70 -0.30 0.00 0.01 0.00 0.00 54.97 52.09 2nnz s GLU 63 Cb 0.01 -4.35 0.13 0.00 -4.31 0.00 0.00 34.13 25.61 2nnz s GLU 63 CO -0.03 -1.26 1.03 -2.00 0.01 0.00 0.00 175.26 173.01 2nnz s GLU 64 N -0.30 0.56 0.05 1.61 2.12 -1.26 -5.04 118.70 116.45 2nnz s GLU 64 Ca 0.21 0.00 0.00 0.00 0.36 0.00 0.00 54.97 55.54 2nnz s GLU 64 Cb -0.11 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.54 2nnz s GLU 64 CO -0.08 -0.20 0.00 -1.71 -0.54 0.00 0.00 175.26 172.72 2nnz n ASN 65 N 0.39 0.00 -1.53 -1.70 2.85 -1.26 -4.87 115.26 109.13 2nnz n ASN 65 Ca -0.08 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.32 2nnz n ASN 65 Cb 0.59 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.62 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 2.92 -1.53 -4.91 1.20 7.64 -1.26 -4.93 113.62 112.76 2nnz n SER 66 Ca 0.00 -0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 2nnz n SER 66 Cb 0.00 -0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 62.75 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 -0.54 3.28 0.00 1.43 0.00 0.23 -4.49 119.74 119.65 2nnz s LYS 67 Ca 0.07 -0.75 0.01 0.00 0.00 0.00 0.00 55.97 55.30 2nnz s LYS 67 Cb -0.01 -2.84 -0.01 0.00 0.00 0.00 0.00 37.83 34.98 2nnz s LYS 67 CO 0.17 0.47 0.14 -0.40 0.00 0.00 0.00 175.35 175.73 2nnz n ASP 68 N -0.84 0.25 -4.23 0.03 5.68 -1.26 0.43 116.55 116.61 2nnz n ASP 68 Ca -0.08 -0.62 -0.26 0.00 -0.50 0.00 0.00 54.79 53.33 2nnz n ASP 68 Cb 0.55 0.81 -0.15 0.00 -1.14 0.00 0.00 41.12 41.20 2nnz n ASP 68 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2nnz s VAL 69 N -0.92 1.60 0.11 2.12 0.11 -1.26 -4.37 120.40 117.80 2nnz s VAL 69 Ca 0.01 -1.06 -0.24 0.00 -2.93 0.00 0.00 61.98 57.77 2nnz s VAL 69 Cb 0.01 -1.37 0.07 0.00 -1.53 0.00 0.00 36.38 33.55 2nnz s VAL 69 CO 0.04 0.29 0.59 0.68 -3.33 0.00 0.00 175.10 173.36 2nnz s VAL 70 N -0.67 0.01 0.27 2.04 -7.23 -1.26 -5.10 120.40 108.45 2nnz s VAL 70 Ca 0.07 -0.07 -0.09 0.00 -1.81 0.00 0.00 61.98 60.08 2nnz s VAL 70 Cb -0.08 -1.01 -0.07 0.00 0.56 0.00 0.00 36.38 35.78 2nnz s VAL 70 CO 0.01 -0.04 0.58 -1.61 -0.31 0.00 0.00 175.10 173.73 2nnz s GLU 71 N -3.22 3.77 -0.06 4.82 2.02 -1.26 -4.90 118.70 119.87 2nnz s GLU 71 Ca -0.01 0.25 -0.38 0.00 0.02 0.00 0.00 54.97 54.85 2nnz s GLU 71 Cb -0.01 -2.61 -0.16 0.00 0.10 0.00 0.00 34.13 31.46 2nnz s GLU 71 CO -0.08 0.25 1.56 -0.11 0.02 0.00 0.00 175.26 176.90 2nnz n LEU 72 N -0.45 2.22 0.00 1.80 7.94 -1.26 -2.39 117.00 124.86 2nnz n LEU 72 Ca 0.00 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 2nnz n LEU 72 Cb 0.53 -1.21 0.00 0.00 0.53 0.00 0.00 43.42 43.27 2nnz n LEU 72 CO 0.46 -0.65 0.00 0.61 -1.11 0.00 0.00 177.39 176.69 2nnz n GLY 73 N 3.41 1.54 3.80 -3.96 0.00 -1.26 -5.10 105.19 103.62 2nnz n GLY 73 Ca 0.22 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 5.51 0.14 1.61 1.47 -1.00 -3.28 116.67 120.76 2nnz s ASP 74 Ca 0.00 1.79 0.08 0.00 1.18 0.00 0.00 52.55 55.59 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 -1.35 -0.08 -0.69 0.68 0.00 0.00 175.17 173.73 2nnz s VAL 75 N -2.63 3.39 -0.02 2.11 1.01 -0.79 -4.55 120.40 118.93 2nnz s VAL 75 Ca 0.62 -1.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.07 2nnz s VAL 75 Cb -0.16 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.59 2nnz s VAL 75 CO 0.43 -0.01 0.24 0.00 0.00 0.00 0.00 175.10 175.77 2nnz s ALA 76 N -1.48 -0.59 -0.24 5.51 0.00 -1.25 -1.87 121.76 121.85 2nnz s ALA 76 Ca 0.24 0.18 -0.08 0.00 0.00 0.00 0.00 51.96 52.30 2nnz s ALA 76 Cb -0.10 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 2nnz s ALA 76 CO 0.15 -0.23 0.10 -0.47 0.00 0.00 0.00 175.76 175.31 2nnz s TYR 77 N -1.20 3.17 -0.02 0.00 6.14 0.68 -2.41 117.35 123.70 2nnz s TYR 77 Ca -0.13 -0.14 -0.30 0.00 0.64 0.00 0.00 57.07 57.15 2nnz s TYR 77 Cb -0.06 -2.22 -0.07 0.00 0.42 0.00 0.00 41.96 40.03 2nnz s TYR 77 CO 0.03 -0.15 1.76 -0.46 0.64 0.00 0.00 175.55 177.37 2nnz s TRP 78 N 1.26 1.73 -0.00 4.97 -0.11 0.31 -2.08 118.94 125.02 2nnz s TRP 78 Ca 0.05 -0.04 -0.04 0.00 1.22 0.00 0.00 56.10 57.30 2nnz s TRP 78 Cb -0.14 -4.03 -0.02 0.00 -1.50 0.00 0.00 33.47 27.77 2nnz s TRP 78 CO 0.04 -4.45 0.52 0.82 -4.62 0.00 0.00 176.95 169.26 2nnz h ILE 79 N 5.60 0.00 -0.14 5.86 2.04 -1.83 -2.44 117.51 126.61 2nnz h ILE 79 Ca -0.43 -0.11 -0.15 0.00 1.00 0.00 0.00 64.86 65.17 2nnz h ILE 79 Cb 1.20 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2nnz h ILE 79 CO 0.95 0.00 0.43 -2.65 0.00 0.00 0.00 178.15 176.88 2nnz n PRO 80 N -2.63 0.39 0.00 2.37 -0.02 -1.26 -0.82 135.00 133.03 2nnz n PRO 80 Ca -0.02 -1.76 0.00 0.00 -2.02 0.00 0.00 63.50 59.70 2nnz n PRO 80 Cb 0.05 -3.71 0.00 0.00 -0.02 0.00 0.00 33.50 29.82 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 5.89 0.36 3.43 -1.23 0.00 -1.26 -4.87 105.19 107.51 2nnz n GLY 81 Ca 0.43 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.80 -4.89 1.61 4.01 -0.00 -4.95 118.16 110.14 2nnz n LYS 82 Ca 0.00 0.54 -0.33 0.00 -0.51 0.00 0.00 58.31 58.01 2nnz n LYS 82 Cb 0.00 -5.29 -0.14 0.00 -0.51 0.00 0.00 35.03 29.09 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 -3.02 2.58 0.18 7.82 0.00 -0.96 -4.68 121.76 123.69 2nnz s ALA 83 Ca 0.44 -0.94 -0.24 0.00 0.00 0.00 0.00 51.96 51.21 2nnz s ALA 83 Cb -0.23 -1.04 -0.08 0.00 0.00 0.00 0.00 23.12 21.77 2nnz s ALA 83 CO 0.54 0.40 0.77 0.42 0.00 0.00 0.00 175.76 177.89 2nnz s ILE 84 N -0.16 4.41 -0.04 0.00 1.01 -1.24 0.11 121.20 125.29 2nnz s ILE 84 Ca -0.01 1.62 0.01 0.00 0.00 0.00 0.00 60.65 62.27 2nnz s ILE 84 Cb -0.14 -4.07 0.02 0.00 0.01 0.00 0.00 42.46 38.29 2nnz s ILE 84 CO 0.03 0.44 -0.03 0.00 0.00 0.00 0.00 174.94 175.38 2nnz s LEU 86 N 0.88 3.81 -0.03 0.00 1.43 -1.12 -3.78 118.68 119.87 2nnz s LEU 86 Ca -0.11 1.00 0.01 0.00 -1.03 0.00 0.00 54.13 54.00 2nnz s LEU 86 Cb -0.14 -3.89 0.03 0.00 0.03 0.00 0.00 46.19 42.22 2nnz s LEU 86 CO -0.00 -0.42 -0.01 -0.36 0.23 0.00 0.00 176.35 175.79 2nnz s PHE 87 N -2.43 0.44 -0.27 0.29 0.08 -1.26 -3.90 117.98 110.93 2nnz s PHE 87 Ca 0.49 -0.06 0.09 0.00 0.12 0.00 0.00 56.93 57.56 2nnz s PHE 87 Cb -0.10 -0.48 0.29 0.00 -0.57 0.00 0.00 43.02 42.15 2nnz s PHE 87 CO 0.35 -0.15 1.25 0.34 -0.10 0.00 0.00 175.22 176.91 2nnz n PHE 88 N 4.12 -1.54 0.00 0.36 7.35 -1.26 -4.47 117.46 122.01 2nnz n PHE 88 Ca -0.26 -1.29 0.00 0.00 -0.76 0.00 0.00 57.45 55.14 2nnz n PHE 88 Cb 0.50 1.32 0.00 0.00 0.35 0.00 0.00 39.48 41.65 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 -0.98 -1.60 0.00 7.13 0.00 -1.26 -4.95 105.19 103.53 2nnz n GLY 89 Ca -0.12 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 1.23 -2.88 1.61 -0.00 -1.26 -4.81 118.16 112.05 2nnz n LYS 90 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.25 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 2.41 0.00 0.00 0.00 177.40 179.81 2nnz n THR 91 N 0.00 0.00 0.01 0.58 -1.04 -1.25 -4.22 114.28 108.36 2nnz n THR 91 Ca 0.00 -0.69 0.22 0.00 -2.04 0.00 0.00 64.05 61.54 2nnz n THR 91 Cb 0.00 0.67 0.59 0.00 -1.82 0.00 0.00 70.33 69.77 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 -1.74 -2.82 0.11 -1.85 -2.60 132.00 123.10 2nnz h PRO 92 Ca -0.22 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.39 2nnz h PRO 92 Cb 0.83 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 31.58 2nnz h PRO 92 CO 0.28 0.00 -1.06 -0.89 -0.21 0.00 0.00 178.00 176.13 2nnz n ILE 93 N -3.38 -0.44 -0.44 4.15 -0.00 -1.26 -4.97 119.36 113.02 2nnz n ILE 93 Ca 0.12 -3.87 0.37 0.00 -0.00 0.00 0.00 62.75 59.37 2nnz n ILE 93 Cb 0.97 -0.97 0.68 0.00 -0.00 0.00 0.00 39.64 40.32 2nnz n ILE 93 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.55 176.83 2nnz h SER 94 N 3.63 0.17 -3.08 4.38 0.02 -1.72 -3.36 113.55 113.59 2nnz h SER 94 Ca 0.05 0.06 -0.58 0.00 -0.84 0.00 0.00 61.79 60.49 2nnz h SER 94 Cb 0.93 0.05 0.15 0.00 0.14 0.00 0.00 62.40 63.67 2nnz h SER 94 CO 0.45 -0.05 -0.02 -0.67 -1.14 0.00 0.00 176.83 175.40 2nnz n ASP 95 N -4.40 0.45 -3.32 3.07 2.03 -1.26 -2.91 116.55 110.21 2nnz n ASP 95 Ca 0.33 0.91 -0.16 0.00 0.52 0.00 0.00 54.79 56.39 2nnz n ASP 95 Cb 1.40 -1.30 0.08 0.00 -0.72 0.00 0.00 41.12 40.58 2nnz n ASP 95 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2nnz n ASP 96 N 0.29 -3.04 -1.03 1.67 8.00 -1.26 -4.68 116.55 116.50 2nnz n ASP 96 Ca 0.11 -0.62 0.13 0.00 0.71 0.00 0.00 54.79 55.12 2nnz n ASP 96 Cb 0.43 -5.00 -0.06 0.00 -0.02 0.00 0.00 41.12 36.46 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 -3.84 -2.35 -1.61 -1.24 4.76 -1.14 -4.62 118.16 108.12 2nnz n LYS 97 Ca -0.23 1.88 -0.42 0.00 -2.87 0.00 0.00 58.31 56.66 2nnz n LYS 97 Cb 0.65 -2.76 -0.03 0.00 -1.84 0.00 0.00 35.03 31.05 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 -3.60 3.02 -0.53 -0.18 1.01 -1.25 -4.64 121.20 115.02 2nnz s ILE 98 Ca 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.55 2nnz s ILE 98 Cb 0.00 -3.03 0.13 0.00 0.01 0.00 0.00 42.46 39.57 2nnz s ILE 98 CO 0.00 -0.02 0.44 -0.60 0.00 0.00 0.00 174.94 174.76 2nnz s ARG 99 N 6.58 2.78 0.33 2.79 6.06 -1.26 -4.67 118.95 131.56 2nnz s ARG 99 Ca 1.00 -1.80 0.09 0.00 -2.50 0.00 0.00 55.73 52.52 2nnz s ARG 99 Cb -0.31 -4.12 0.56 0.00 0.06 0.00 0.00 34.95 31.15 2nnz s ARG 99 CO 0.34 -1.26 1.75 -1.00 -2.50 0.00 0.00 175.30 172.63 2nnz h PRO 100 N 8.58 0.14 0.00 5.12 0.13 -1.92 -3.40 132.00 140.65 2nnz h PRO 100 Ca -0.23 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2nnz h PRO 100 Cb 1.08 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2nnz h PRO 100 CO 0.93 0.51 0.00 0.00 -0.23 0.00 0.00 178.00 179.22 2nnz n ALA 101 N -2.47 0.00 0.44 -0.56 0.00 -1.26 -4.91 120.51 111.75 2nnz n ALA 101 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.47 2nnz n ALA 101 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.87 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 0.89 -2.71 0.00 7.64 -1.26 -4.74 113.62 113.44 2nnz n SER 102 Ca 0.00 -0.94 -0.05 0.00 1.01 0.00 0.00 58.87 58.88 2nnz n SER 102 Cb 0.00 0.69 0.05 0.00 -1.01 0.00 0.00 64.21 63.94 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 -0.66 -2.69 -2.41 -0.43 0.00 -1.26 -4.65 120.51 108.41 2nnz n ALA 103 Ca 0.03 -0.69 -0.28 0.00 0.00 0.00 0.00 53.44 52.50 2nnz n ALA 103 Cb 0.18 -2.40 -0.15 0.00 0.00 0.00 0.00 19.45 17.09 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 0.55 1.82 0.40 0.00 -7.23 0.17 -3.66 120.40 112.45 2nnz s VAL 104 Ca 0.28 -1.13 -0.15 0.00 -1.81 0.00 0.00 61.98 59.17 2nnz s VAL 104 Cb 0.17 -1.54 -0.09 0.00 0.56 0.00 0.00 36.38 35.48 2nnz s VAL 104 CO -0.14 0.38 0.84 0.20 -0.31 0.00 0.00 175.10 176.07 2nnz s ASN 105 N -0.89 6.72 -0.66 4.85 0.02 -0.88 0.75 114.94 124.85 2nnz s ASN 105 Ca 0.09 1.38 -0.22 0.00 -1.02 0.00 0.00 52.86 53.09 2nnz s ASN 105 Cb -0.09 -2.42 0.07 0.00 0.02 0.00 0.00 41.25 38.83 2nnz s ASN 105 CO 0.01 -0.36 0.94 0.68 0.02 0.00 0.00 177.10 178.39 2nnz s VAL 106 N -2.24 4.38 -0.73 1.60 -7.23 -1.26 -0.23 120.40 114.69 2nnz s VAL 106 Ca 0.56 -0.44 0.03 0.00 -1.81 0.00 0.00 61.98 60.32 2nnz s VAL 106 Cb -0.10 -4.67 0.19 0.00 0.56 0.00 0.00 36.38 32.36 2nnz s VAL 106 CO 0.22 -1.43 0.85 0.00 -0.31 0.00 0.00 175.10 174.43 2nnz n ILE 107 N 5.88 0.77 0.00 -0.62 3.06 -0.78 -4.62 119.36 123.04 2nnz n ILE 107 Ca -0.04 -0.34 0.00 0.00 -2.50 0.00 0.00 62.75 59.87 2nnz n ILE 107 Cb 0.45 -0.51 0.00 0.00 0.54 0.00 0.00 39.64 40.13 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 0.14 0.21 3.67 4.50 0.00 -1.22 -3.96 105.19 108.53 2nnz n GLY 108 Ca 0.08 -1.61 -0.02 0.00 0.00 0.00 0.00 46.02 44.46 2nnz n GLY 108 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2nnz s ARG 109 N 0.00 0.81 -0.34 1.61 1.70 -1.23 -1.88 118.95 119.61 2nnz s ARG 109 Ca 0.00 -0.43 -0.14 0.00 -0.47 0.00 0.00 55.73 54.69 2nnz s ARG 109 Cb 0.00 0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.66 2nnz s ARG 109 CO 0.00 -0.37 0.32 0.42 -1.08 0.00 0.00 175.30 174.59 2nnz s ILE 110 N -2.90 5.21 0.00 4.99 1.01 -1.21 -1.47 121.20 126.83 2nnz s ILE 110 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.72 2nnz s ILE 110 Cb 0.01 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.69 2nnz s ILE 110 CO -0.02 -0.07 0.00 1.33 0.00 0.00 0.00 174.94 176.19 2nnz n VAL 111 N 5.19 0.00 -1.28 2.92 0.24 -1.25 -4.98 118.33 119.18 2nnz n VAL 111 Ca -0.10 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.01 2nnz n VAL 111 Cb 0.49 -0.71 0.15 0.00 -1.47 0.00 0.00 33.84 32.30 2nnz n VAL 111 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2nnz n ASN 112 N -0.65 -0.68 -1.33 -1.34 0.23 -1.26 -4.92 115.26 105.31 2nnz n ASN 112 Ca 0.00 -1.15 0.16 0.00 -0.53 0.00 0.00 54.58 53.06 2nnz n ASN 112 Cb 0.00 -0.65 -0.08 0.00 -2.08 0.00 0.00 39.78 36.96 2nnz n ASN 112 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2nnz n SER 113 N -3.83 -7.41 -4.70 0.53 7.64 -1.26 -3.99 113.62 100.60 2nnz n SER 113 Ca 0.10 1.27 -0.44 0.00 1.01 0.00 0.00 58.87 60.82 2nnz n SER 113 Cb 0.38 -4.54 -0.04 0.00 -1.01 0.00 0.00 64.21 59.00 2nnz n SER 113 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2nnz n MET 114 N -4.17 2.51 -0.92 1.43 1.56 -1.12 -4.82 117.12 111.59 2nnz n MET 114 Ca -0.08 0.91 -0.06 0.00 -0.27 0.00 0.00 57.70 58.20 2nnz n MET 114 Cb 0.63 -2.72 0.26 0.00 2.15 0.00 0.00 33.22 33.54 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 3.92 2.99 -1.08 2.12 4.71 -1.26 -4.27 120.64 127.77 2nnz n GLU 115 Ca 0.17 -3.06 -0.11 0.00 -0.01 0.00 0.00 57.16 54.15 2nnz n GLU 115 Cb 0.32 -2.07 0.16 0.00 -1.01 0.00 0.00 31.44 28.84 2nnz n GLU 115 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2nnz n GLY 116 N -0.56 5.26 0.46 0.62 0.00 -1.26 -4.73 105.19 104.98 2nnz n GLY 116 Ca 0.39 -1.58 0.28 0.00 0.00 0.00 0.00 46.02 45.11 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 1.30 0.14 -1.13 0.99 6.46 -1.91 -1.12 115.31 120.05 2nnz h LEU 117 Ca 0.29 0.02 0.22 0.00 -0.12 0.00 0.00 57.88 58.29 2nnz h LEU 117 Cb 1.57 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.47 2nnz h LEU 117 CO 0.57 0.04 1.02 0.07 -0.62 0.00 0.00 178.44 179.52 2nnz h LYS 118 N 0.13 0.00 -1.08 1.25 5.09 -1.85 0.28 116.57 120.39 2nnz h LYS 118 Ca 0.50 0.00 -0.21 0.00 0.09 0.00 0.00 60.65 61.03 2nnz h LYS 118 Cb 1.76 0.00 -0.12 0.00 0.10 0.00 0.00 32.23 33.97 2nnz h LYS 118 CO -0.08 0.00 0.27 0.41 -2.09 0.00 0.00 179.45 177.96 2nnz n GLY 119 N -1.63 3.10 3.81 0.07 0.00 -0.42 -4.65 105.19 105.46 2nnz n GLY 119 Ca 0.16 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.39 3.90 0.37 1.61 -7.23 0.97 -5.03 120.40 113.60 2nnz s VAL 120 Ca 0.23 0.94 -0.24 0.00 -1.81 0.00 0.00 61.98 61.10 2nnz s VAL 120 Cb 0.19 -3.44 -0.10 0.00 0.56 0.00 0.00 36.38 33.59 2nnz s VAL 120 CO 0.04 -0.49 0.96 0.00 -0.31 0.00 0.00 175.10 175.30 2nnz s ALA 121 N -2.41 3.13 -0.22 1.32 0.00 -1.26 -4.94 121.76 117.38 2nnz s ALA 121 Ca 0.63 0.51 -0.31 0.00 0.00 0.00 0.00 51.96 52.80 2nnz s ALA 121 Cb -0.15 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 2nnz s ALA 121 CO 0.34 0.10 2.17 -0.40 0.00 0.00 0.00 175.76 177.97 2nnz n ASP 122 N 0.04 3.06 -1.84 0.00 5.75 -1.26 -4.07 116.55 118.23 2nnz n ASP 122 Ca 0.04 0.37 -0.02 0.00 -0.01 0.00 0.00 54.79 55.18 2nnz n ASP 122 Cb 0.51 -1.47 -0.01 0.00 -1.03 0.00 0.00 41.12 39.13 2nnz n ASP 122 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2nnz n GLY 123 N 5.76 -3.62 3.32 6.12 0.00 -1.26 -4.97 105.19 110.54 2nnz n GLY 123 Ca 0.31 0.25 -0.15 0.00 0.00 0.00 0.00 46.02 46.44 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 0.77 1.05 1.61 -1.05 -1.23 -5.01 118.70 113.99 2nnz s GLU 124 Ca -0.08 -0.05 -0.17 0.00 -0.15 0.00 0.00 54.97 54.52 2nnz s GLU 124 Cb 0.01 0.35 0.05 0.00 -0.44 0.00 0.00 34.13 34.09 2nnz s GLU 124 CO 0.24 -0.22 -0.03 0.45 0.95 0.00 0.00 175.26 176.65 2nnz n SER 125 N 1.22 -2.52 -3.65 0.83 2.88 -1.26 -1.81 113.62 109.30 2nnz n SER 125 Ca -0.21 0.04 -0.07 0.00 -1.33 0.00 0.00 58.87 57.30 2nnz n SER 125 Cb 0.56 -0.99 -0.08 0.00 -0.75 0.00 0.00 64.21 62.96 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 -2.26 -0.12 -0.23 2.46 1.01 0.14 -4.09 120.40 117.33 2nnz s VAL 126 Ca 0.54 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.54 2nnz s VAL 126 Cb -0.13 -0.91 0.06 0.00 0.00 0.00 0.00 36.38 35.40 2nnz s VAL 126 CO 0.67 0.01 -0.01 0.68 0.00 0.00 0.00 175.10 176.46 2nnz s VAL 127 N 1.73 1.11 -0.05 2.92 -7.23 -1.23 0.13 120.40 117.78 2nnz s VAL 127 Ca -0.09 -1.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.82 2nnz s VAL 127 Cb -0.07 -1.51 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 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 1.58 4.96 -0.21 1.32 1.01 -0.88 -3.76 120.40 124.43 2nnz s VAL 128 Ca -0.03 1.69 -0.11 0.00 0.00 0.00 0.00 61.98 63.54 2nnz s VAL 128 Cb -0.18 -4.15 0.07 0.00 0.00 0.00 0.00 36.38 32.12 2nnz s VAL 128 CO -0.08 0.19 0.50 -1.83 0.00 0.00 0.00 175.10 173.88 2nnz s GLU 129 N 1.03 0.48 -1.01 2.72 -1.05 -0.51 -1.20 118.70 119.16 2nnz s GLU 129 Ca 0.43 0.98 -0.23 0.00 -0.15 0.00 0.00 54.97 55.99 2nnz s GLU 129 Cb -0.19 0.12 -0.02 0.00 -0.44 0.00 0.00 34.13 33.60 2nnz s GLU 129 CO 0.21 -0.17 1.82 0.50 0.95 0.00 0.00 175.26 178.57 2nnz s ARG 130 N 1.72 2.88 0.00 -4.83 3.00 -1.26 0.11 118.95 120.57 2nnz s ARG 130 Ca -0.08 -0.75 0.00 0.00 -1.00 0.00 0.00 55.73 53.89 2nnz s ARG 130 Cb -0.08 -5.20 0.00 0.00 0.00 0.00 0.00 34.95 29.67 2nnz s ARG 130 CO -0.15 -3.14 0.00 0.00 0.00 0.00 0.00 175.30 172.01