#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 -0.92 1.08 3.03 0.00 -1.26 -4.92 105.19 102.20 2nnz n GLY 2 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.40 1.61 0.00 -1.26 -5.01 120.64 115.59 2nnz n GLU 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2nnz n GLU 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2nnz n GLU 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2nnz n ARG 4 N -1.91 0.00 0.00 3.44 3.00 -1.26 -5.03 116.66 114.90 2nnz n ARG 4 Ca 0.00 -0.69 0.00 0.00 -0.01 0.00 0.00 57.85 57.15 2nnz n ARG 4 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 32.46 32.07 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 -1.33 2.50 -0.13 0.00 -1.26 -5.10 105.19 99.87 2nnz n GLY 5 Ca 0.00 0.90 -0.20 0.00 0.00 0.00 0.00 46.02 46.72 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 -0.81 -2.02 1.61 0.24 -1.26 -2.75 118.33 113.33 2nnz n VAL 6 Ca 0.00 -2.66 -0.05 0.00 -2.04 0.00 0.00 64.34 59.58 2nnz n VAL 6 Cb 0.00 -0.79 -0.06 0.00 -1.47 0.00 0.00 33.84 31.52 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 2.81 0.00 -3.73 7.34 -0.58 -1.26 -4.90 120.64 120.33 2nnz n GLU 7 Ca 0.26 -0.89 -0.38 0.00 -0.42 0.00 0.00 57.16 55.72 2nnz n GLU 7 Cb 0.51 0.40 -0.12 0.00 -0.57 0.00 0.00 31.44 31.66 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 0.00 2.50 0.04 3.49 1.75 -1.25 -4.99 119.30 120.85 2nnz s MET 8 Ca 0.01 -1.37 0.06 0.00 -1.25 0.00 0.00 55.69 53.14 2nnz s MET 8 Cb 0.02 -3.55 -0.03 0.00 2.84 0.00 0.00 34.83 34.10 2nnz s MET 8 CO -0.01 -0.81 -0.15 -0.98 -0.65 0.00 0.00 175.02 172.42 2nnz s ARG 9 N 1.35 2.18 0.33 4.11 1.04 -1.26 0.53 118.95 127.23 2nnz s ARG 9 Ca 0.01 -0.93 0.10 0.00 -1.04 0.00 0.00 55.73 53.87 2nnz s ARG 9 Cb -0.21 -2.27 -0.06 0.00 -2.04 0.00 0.00 34.95 30.37 2nnz s ARG 9 CO 0.01 0.55 -0.10 -0.48 -0.04 0.00 0.00 175.30 175.24 2nnz s LEU 10 N -1.49 2.75 0.05 -1.89 2.34 -0.19 -4.34 118.68 115.90 2nnz s LEU 10 Ca 0.16 -1.11 0.04 0.00 0.06 0.00 0.00 54.13 53.27 2nnz s LEU 10 Cb -0.11 -1.09 -0.04 0.00 -0.56 0.00 0.00 46.19 44.39 2nnz s LEU 10 CO 0.06 -0.14 -0.03 -0.60 -1.06 0.00 0.00 176.35 174.58 2nnz s ARG 11 N -3.60 2.55 -0.27 1.48 3.00 0.26 -2.74 118.95 119.62 2nnz s ARG 11 Ca 0.32 -0.78 -0.02 0.00 -1.00 0.00 0.00 55.73 54.25 2nnz s ARG 11 Cb 0.00 -2.53 0.12 0.00 0.00 0.00 0.00 34.95 32.54 2nnz s ARG 11 CO 0.17 0.57 0.22 0.42 0.00 0.00 0.00 175.30 176.68 2nnz s ILE 12 N -1.17 -0.27 0.17 4.11 1.01 -0.80 -1.75 121.20 122.50 2nnz s ILE 12 Ca 0.22 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.40 2nnz s ILE 12 Cb -0.11 -0.92 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 2nnz s ILE 12 CO 0.13 -0.50 0.27 0.00 0.00 0.00 0.00 174.94 174.84 2nnz s ARG 13 N 2.27 3.34 -0.01 2.79 1.70 -1.25 -2.06 118.95 125.72 2nnz s ARG 13 Ca 0.09 -0.69 0.01 0.00 -0.47 0.00 0.00 55.73 54.66 2nnz s ARG 13 Cb -0.15 -2.88 0.01 0.00 -0.57 0.00 0.00 34.95 31.36 2nnz s ARG 13 CO -0.30 0.49 -0.01 -0.06 -1.08 0.00 0.00 175.30 174.34 2nnz s PHE 14 N -1.81 0.22 0.56 5.89 0.40 0.44 -3.74 117.98 119.94 2nnz s PHE 14 Ca 0.34 -0.02 0.45 0.00 -0.60 0.00 0.00 56.93 57.10 2nnz s PHE 14 Cb -0.10 -0.22 1.62 0.00 0.51 0.00 0.00 43.02 44.83 2nnz s PHE 14 CO 0.28 -0.04 1.60 0.93 0.70 0.00 0.00 175.22 178.69 2nnz h GLU 15 N 6.50 0.00 0.00 0.44 3.07 -1.96 0.46 114.58 123.09 2nnz h GLU 15 Ca -0.32 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.53 2nnz h GLU 15 Cb 1.18 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.06 2nnz h GLU 15 CO 0.50 0.00 -0.28 0.43 -1.40 0.00 0.00 179.01 178.26 2nnz n SER 16 N -3.91 1.60 -3.60 1.42 7.64 -1.26 -5.07 113.62 110.43 2nnz n SER 16 Ca 0.38 -2.90 -0.06 0.00 1.01 0.00 0.00 58.87 57.30 2nnz n SER 16 Cb 1.78 -0.38 -0.04 0.00 -1.01 0.00 0.00 64.21 64.56 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 -2.06 -2.04 0.04 -0.43 0.00 0.16 -4.95 121.76 112.49 2nnz s ALA 17 Ca 0.26 1.69 0.06 0.00 0.00 0.00 0.00 51.96 53.97 2nnz s ALA 17 Cb 0.24 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 2nnz s ALA 17 CO -0.01 -0.37 -0.17 -1.83 0.00 0.00 0.00 175.76 173.38 2nnz s GLU 18 N -1.48 1.14 -0.12 0.00 1.03 -1.26 0.17 118.70 118.18 2nnz s GLU 18 Ca 0.06 -0.86 -0.30 0.00 0.03 0.00 0.00 54.97 53.90 2nnz s GLU 18 Cb -0.01 -1.21 0.09 0.00 -0.80 0.00 0.00 34.13 32.20 2nnz s GLU 18 CO -0.04 0.30 0.81 0.00 -1.33 0.00 0.00 175.26 175.00 2nnz s GLU 20 N -0.93 0.97 -0.07 0.00 2.02 -1.26 -1.90 118.70 117.53 2nnz s GLU 20 Ca -0.06 -1.36 -0.23 0.00 0.02 0.00 0.00 54.97 53.34 2nnz s GLU 20 Cb -0.01 -0.53 0.05 0.00 0.10 0.00 0.00 34.13 33.74 2nnz s GLU 20 CO 0.05 0.06 0.52 0.54 0.02 0.00 0.00 175.26 176.45 2nnz s VAL 21 N -3.16 0.02 0.59 2.63 0.11 -1.11 -3.61 120.40 115.86 2nnz s VAL 21 Ca 0.13 -0.18 0.02 0.00 -2.93 0.00 0.00 61.98 59.03 2nnz s VAL 21 Cb 0.02 -0.81 0.11 0.00 -1.53 0.00 0.00 36.38 34.17 2nnz s VAL 21 CO -0.00 -0.10 0.81 -0.62 -3.33 0.00 0.00 175.10 171.86 2nnz n GLU 22 N 1.40 0.18 -3.74 1.54 1.02 -0.82 -1.03 120.64 119.20 2nnz n GLU 22 Ca -0.19 -2.42 -0.12 0.00 -0.02 0.00 0.00 57.16 54.40 2nnz n GLU 22 Cb 0.56 -0.47 -0.12 0.00 -0.02 0.00 0.00 31.44 31.40 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 0.53 -0.06 -4.62 2.96 0.19 -3.84 118.68 113.83 2nnz s LEU 23 Ca 0.55 0.58 0.02 0.00 -0.22 0.00 0.00 54.13 55.06 2nnz s LEU 23 Cb -0.03 0.87 -0.03 0.00 0.50 0.00 0.00 46.19 47.50 2nnz s LEU 23 CO 0.36 -0.15 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.83 2nnz s TYR 24 N 0.92 2.83 -0.95 5.38 2.02 -1.26 -3.75 117.35 122.55 2nnz s TYR 24 Ca -0.06 -0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.56 2nnz s TYR 24 Cb -0.07 -1.68 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 2nnz s TYR 24 CO -0.06 0.25 0.87 0.39 -1.57 0.00 0.00 175.55 175.43 2nnz n GLU 25 N 2.32 0.00 -0.30 -0.62 1.02 -1.11 -3.08 120.64 118.87 2nnz n GLU 25 Ca -0.18 0.38 0.35 0.00 -0.02 0.00 0.00 57.16 57.69 2nnz n GLU 25 Cb 0.53 -1.56 0.69 0.00 -0.02 0.00 0.00 31.44 31.07 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 0.03 3.49 4.11 -1.93 0.13 114.58 120.40 2nnz h GLU 26 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 2nnz h GLU 26 Cb 0.13 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 -0.01 2.35 0.07 0.00 0.00 179.01 181.42 2nnz h TRP 27 N 0.00 -0.03 0.00 2.06 -0.00 -1.87 -3.43 115.95 112.68 2nnz h TRP 27 Ca 0.56 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.45 2nnz h TRP 27 Cb 2.54 0.01 0.00 0.00 -0.00 0.00 0.00 29.16 31.71 2nnz h TRP 27 CO 0.00 0.31 0.00 0.00 -0.00 0.00 0.00 178.44 178.75 2nnz n ALA 28 N -2.71 0.00 -0.40 2.65 0.00 0.44 -4.72 120.51 115.76 2nnz n ALA 28 Ca -0.04 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.73 2nnz n ALA 28 Cb 0.17 0.00 0.63 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 0.17 0.24 0.00 0.10 -1.94 -0.23 132.00 130.34 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 -0.04 -0.00 0.00 0.10 0.00 0.00 31.00 31.06 2nnz h PRO 29 CO 0.00 0.11 -0.14 0.93 0.10 0.00 0.00 178.00 179.00 2nnz h GLU 30 N 0.18 -0.35 -0.39 1.05 3.07 -1.95 -2.77 114.58 113.42 2nnz h GLU 30 Ca 0.70 0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.58 2nnz h GLU 30 Cb 2.22 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 30.19 2nnz h GLU 30 CO -0.27 -0.23 0.21 1.79 -1.40 0.00 0.00 179.01 179.10 2nnz h THR 31 N -0.36 1.15 -1.27 1.13 1.35 -1.43 -2.14 112.91 111.33 2nnz h THR 31 Ca -0.02 -0.41 0.37 0.00 -0.55 0.00 0.00 66.41 65.79 2nnz h THR 31 Cb 0.30 0.71 -0.07 0.00 -1.73 0.00 0.00 68.15 67.37 2nnz h THR 31 CO 0.03 0.16 0.89 0.58 -0.25 0.00 0.00 175.52 176.93 2nnz h VAL 32 N 0.50 0.35 -0.67 6.82 2.07 -1.26 0.47 116.25 124.53 2nnz h VAL 32 Ca 0.14 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 2nnz h VAL 32 Cb 0.07 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 2nnz h VAL 32 CO -0.02 0.01 0.31 -0.09 0.02 0.00 0.00 177.57 177.80 2nnz h ARG 33 N 0.08 0.96 -0.12 1.57 9.65 -1.10 -2.29 114.38 123.13 2nnz h ARG 33 Ca 0.64 -0.13 -0.03 0.00 -1.10 0.00 0.00 59.98 59.35 2nnz h ARG 33 Cb 2.35 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 30.75 2nnz h ARG 33 CO -0.10 0.75 -0.05 0.00 2.80 0.00 0.00 179.97 183.38 2nnz h ALA 34 N 1.39 0.17 -0.16 2.80 0.00 -0.15 -0.98 119.26 122.32 2nnz h ALA 34 Ca 0.23 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2nnz h ALA 34 Cb 0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2nnz h ALA 34 CO -0.03 -0.06 -0.17 0.82 0.00 0.00 0.00 179.25 179.81 2nnz h ILE 35 N -0.09 0.55 0.00 0.00 1.08 -1.39 0.92 117.51 118.57 2nnz h ILE 35 Ca 0.03 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.48 2nnz h ILE 35 Cb 0.50 0.55 -0.00 0.00 -3.07 0.00 0.00 36.82 34.79 2nnz h ILE 35 CO 0.02 0.00 -0.09 0.00 -0.69 0.00 0.00 178.15 177.39 2nnz h ALA 36 N 0.88 1.78 0.00 1.87 0.00 -1.41 -0.44 119.26 121.94 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 0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2nnz h ALA 36 CO -0.28 0.11 -0.31 0.22 0.00 0.00 0.00 179.25 178.99 2nnz h ASP 37 N 0.00 0.00 -1.84 0.00 3.58 0.53 -3.23 116.42 115.46 2nnz h ASP 37 Ca -0.00 0.00 -0.73 0.00 0.42 0.00 0.00 57.03 56.72 2nnz h ASP 37 Cb 0.16 0.00 -0.25 0.00 1.72 0.00 0.00 39.33 40.96 2nnz h ASP 37 CO 0.01 0.31 0.99 0.00 -2.88 0.00 0.00 179.24 177.66 2nnz n ALA 38 N -2.28 6.47 -1.00 -0.78 0.00 -0.17 -5.00 120.51 117.74 2nnz n ALA 38 Ca -0.00 -3.99 0.00 0.00 0.00 0.00 0.00 53.44 49.45 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 -0.16 0.00 -1.47 0.00 4.77 -1.22 -4.57 117.00 114.36 2nnz n LEU 39 Ca 0.52 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 56.31 2nnz n LEU 39 Cb 0.29 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 2nnz n LEU 39 CO 0.48 -0.46 0.62 -2.65 -1.33 0.00 0.00 177.39 174.05 2nnz n PRO 40 N 0.00 0.00 -3.81 3.23 -0.02 -0.51 -4.56 135.00 129.33 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 -0.51 -0.08 0.00 -0.02 0.00 0.00 33.50 32.89 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 2.23 0.09 -0.06 4.25 1.01 -0.52 -4.96 121.20 123.24 2nnz s ILE 41 Ca 0.42 -0.76 -0.20 0.00 0.00 0.00 0.00 60.65 60.10 2nnz s ILE 41 Cb -0.50 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 2nnz s ILE 41 CO 0.22 -0.42 0.58 -0.54 0.00 0.00 0.00 174.94 174.78 2nnz s LYS 42 N -2.33 4.35 0.01 2.79 1.02 -1.26 -2.22 119.74 122.10 2nnz s LYS 42 Ca -0.07 0.67 -0.02 0.00 0.02 0.00 0.00 55.97 56.58 2nnz s LYS 42 Cb -0.02 -3.40 -0.01 0.00 -0.52 0.00 0.00 37.83 33.88 2nnz s LYS 42 CO -0.02 0.22 0.03 -1.54 -0.92 0.00 0.00 175.35 173.11 2nnz s SER 43 N 0.35 0.15 -0.20 2.83 1.04 0.44 -4.93 113.70 113.37 2nnz s SER 43 Ca 0.31 -0.35 -0.09 0.00 0.48 0.00 0.00 55.95 56.31 2nnz s SER 43 Cb -0.17 0.13 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 2nnz s SER 43 CO 0.15 -0.29 0.10 -0.89 0.98 0.00 0.00 173.24 173.29 2nnz s THR 44 N -1.26 5.01 -0.08 2.02 2.01 -1.26 0.70 115.64 122.78 2nnz s THR 44 Ca -0.14 0.05 -0.18 0.00 0.31 0.00 0.00 61.69 61.73 2nnz s THR 44 Cb -0.08 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 2nnz s THR 44 CO -0.00 0.42 0.49 0.00 -0.69 0.00 0.00 174.62 174.84 2nnz s ALA 45 N 0.59 3.52 -0.20 7.40 0.00 -0.82 -4.30 121.76 127.96 2nnz s ALA 45 Ca 0.05 -0.15 -0.10 0.00 0.00 0.00 0.00 51.96 51.76 2nnz s ALA 45 Cb -0.12 -2.62 -0.05 0.00 0.00 0.00 0.00 23.12 20.33 2nnz s ALA 45 CO 0.01 0.12 0.12 -0.80 0.00 0.00 0.00 175.76 175.20 2nnz s ASN 46 N 0.16 6.10 -0.08 0.00 0.01 -1.21 -3.33 114.94 116.59 2nnz s ASN 46 Ca 0.26 0.20 -0.15 0.00 -0.71 0.00 0.00 52.86 52.47 2nnz s ASN 46 Cb -0.16 -2.07 -0.05 0.00 0.41 0.00 0.00 41.25 39.39 2nnz s ASN 46 CO 0.12 0.18 0.38 -0.13 -1.51 0.00 0.00 177.10 176.14 2nnz s ARG 47 N 0.36 4.09 -0.06 -0.60 1.81 -1.26 -3.62 118.95 119.66 2nnz s ARG 47 Ca 0.07 0.30 -0.22 0.00 -1.72 0.00 0.00 55.73 54.16 2nnz s ARG 47 Cb -0.11 -3.33 0.05 0.00 -0.45 0.00 0.00 34.95 31.11 2nnz s ARG 47 CO -0.02 0.44 0.50 -0.46 -0.68 0.00 0.00 175.30 175.09 2nnz s TRP 48 N -0.23 -0.45 -0.20 -0.53 -0.11 -0.83 -4.95 118.94 111.64 2nnz s TRP 48 Ca 0.22 0.82 -0.02 0.00 1.22 0.00 0.00 56.10 58.34 2nnz s TRP 48 Cb -0.15 0.25 -0.07 0.00 -1.50 0.00 0.00 33.47 32.00 2nnz s TRP 48 CO 0.09 -0.47 0.70 0.41 -4.62 0.00 0.00 176.95 173.07 2nnz n GLY 49 N 1.37 -0.10 4.30 5.86 0.00 -1.26 -0.47 105.19 114.89 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 2.30 0.00 -4.70 1.61 2.03 -1.26 -3.65 116.55 112.87 2nnz n ASP 50 Ca 0.14 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.03 2nnz n ASP 50 Cb 0.16 0.00 -0.03 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 4.38 -0.08 -0.67 -6.30 0.38 -4.63 118.70 111.78 2nnz s GLU 51 Ca 0.00 1.81 0.01 0.00 -2.50 0.00 0.00 54.97 54.28 2nnz s GLU 51 Cb 0.00 -3.43 0.02 0.00 0.00 0.00 0.00 34.13 30.72 2nnz s GLU 51 CO 0.00 -0.37 -0.07 -1.50 0.02 0.00 0.00 175.26 173.33 2nnz s ILE 52 N 1.57 0.87 -0.04 -3.70 1.10 -1.26 -1.97 121.20 117.77 2nnz s ILE 52 Ca 0.59 -0.26 0.00 0.00 -0.51 0.00 0.00 60.65 60.48 2nnz s ILE 52 Cb -0.29 -0.87 0.03 0.00 0.15 0.00 0.00 42.46 41.47 2nnz s ILE 52 CO 0.27 0.32 -0.01 -0.72 -2.11 0.00 0.00 174.94 172.69 2nnz s TYR 53 N 1.27 0.49 0.03 3.50 -0.85 -1.24 -2.98 117.35 117.56 2nnz s TYR 53 Ca -0.04 -0.08 0.03 0.00 -0.52 0.00 0.00 57.07 56.46 2nnz s TYR 53 Cb -0.14 -0.56 -0.02 0.00 0.38 0.00 0.00 41.96 41.63 2nnz s TYR 53 CO -0.03 -0.19 -0.10 -0.59 -1.52 0.00 0.00 175.55 173.13 2nnz s PHE 54 N 1.22 0.87 0.15 -3.49 -0.12 -1.19 -3.30 117.98 112.12 2nnz s PHE 54 Ca -0.07 -0.33 -0.11 0.00 -0.05 0.00 0.00 56.93 56.37 2nnz s PHE 54 Cb -0.13 -0.53 -0.07 0.00 -0.63 0.00 0.00 43.02 41.66 2nnz s PHE 54 CO -0.02 -0.01 0.51 0.99 -0.05 0.00 0.00 175.22 176.63 2nnz s THR 55 N -0.81 4.95 0.00 -4.49 2.01 -1.26 -3.61 115.64 112.43 2nnz s THR 55 Ca -0.02 0.60 0.00 0.00 0.31 0.00 0.00 61.69 62.58 2nnz s THR 55 Cb -0.07 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.76 2nnz s THR 55 CO 0.01 0.16 0.82 0.35 -0.69 0.00 0.00 174.62 175.26 2nnz n THR 56 N 0.53 0.65 -0.18 -0.82 -2.24 -1.26 -4.41 114.28 106.55 2nnz n THR 56 Ca -0.04 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 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 -0.33 0.00 -2.83 -0.78 6.02 -1.26 -5.00 117.38 113.20 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 0.18 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.91 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 -3.06 4.61 -0.61 5.09 0.11 -1.26 -5.00 120.40 120.29 2nnz s VAL 58 Ca 0.00 1.14 -0.09 0.00 -2.93 0.00 0.00 61.98 60.10 2nnz s VAL 58 Cb 0.00 -4.31 0.16 0.00 -1.53 0.00 0.00 36.38 30.70 2nnz s VAL 58 CO 0.00 -0.51 0.50 0.00 -3.33 0.00 0.00 175.10 171.75 2nnz s ALA 59 N 3.40 3.65 -0.24 1.54 0.00 -1.26 -4.85 121.76 124.00 2nnz s ALA 59 Ca 0.37 -2.94 -0.02 0.00 0.00 0.00 0.00 51.96 49.37 2nnz s ALA 59 Cb -0.12 -3.00 0.07 0.00 0.00 0.00 0.00 23.12 20.07 2nnz s ALA 59 CO 0.18 -2.07 0.04 0.54 0.00 0.00 0.00 175.76 174.46 2nnz s VAL 60 N 0.69 0.78 -0.05 0.00 0.11 -1.26 -5.12 120.40 115.54 2nnz s VAL 60 Ca 0.12 -0.93 0.05 0.00 -2.93 0.00 0.00 61.98 58.29 2nnz s VAL 60 Cb -0.21 -1.35 -0.00 0.00 -1.53 0.00 0.00 36.38 33.29 2nnz s VAL 60 CO -0.03 -0.35 -0.19 -1.61 -3.33 0.00 0.00 175.10 169.58 2nnz s GLU 61 N 1.72 2.07 0.16 1.54 2.02 -1.26 -4.83 118.70 120.12 2nnz s GLU 61 Ca 0.02 -0.70 -0.08 0.00 0.02 0.00 0.00 54.97 54.23 2nnz s GLU 61 Cb -0.17 -1.76 -0.01 0.00 0.10 0.00 0.00 34.13 32.29 2nnz s GLU 61 CO -0.14 0.26 0.26 0.21 0.02 0.00 0.00 175.26 175.88 2nnz s LYS 62 N 0.04 1.14 -0.73 1.61 2.20 -1.26 -5.12 119.74 117.62 2nnz s LYS 62 Ca -0.05 -1.20 -0.13 0.00 -0.36 0.00 0.00 55.97 54.23 2nnz s LYS 62 Cb -0.13 0.37 0.19 0.00 -1.51 0.00 0.00 37.83 36.75 2nnz s LYS 62 CO 0.03 -0.41 0.66 -1.83 -0.36 0.00 0.00 175.35 173.44 2nnz s GLU 63 N -3.98 3.30 -0.11 4.03 1.03 -1.26 -4.99 118.70 116.72 2nnz s GLU 63 Ca 0.18 -2.30 -0.31 0.00 0.03 0.00 0.00 54.97 52.57 2nnz s GLU 63 Cb 0.04 -4.29 0.12 0.00 -0.80 0.00 0.00 34.13 29.20 2nnz s GLU 63 CO 0.00 -1.28 1.02 -2.00 -1.33 0.00 0.00 175.26 171.68 2nnz s GLU 64 N 0.45 0.59 0.30 -4.83 2.12 -1.26 -5.04 118.70 111.02 2nnz s GLU 64 Ca 0.15 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.38 2nnz s GLU 64 Cb -0.16 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.51 2nnz s GLU 64 CO -0.06 -0.23 0.00 -1.71 -0.54 0.00 0.00 175.26 172.72 2nnz n ASN 65 N 0.15 0.00 -1.90 -1.70 2.85 -1.26 -4.85 115.26 108.55 2nnz n ASN 65 Ca -0.07 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.29 2nnz n ASN 65 Cb 0.60 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.63 2nnz n ASN 65 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2nnz n SER 66 N 1.91 -2.36 -4.90 1.20 7.64 -1.26 -4.94 113.62 110.92 2nnz n SER 66 Ca 0.00 -0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 2nnz n SER 66 Cb 0.00 -0.65 -0.04 0.00 -1.01 0.00 0.00 64.21 62.52 2nnz n SER 66 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2nnz s LYS 67 N -0.82 3.25 0.00 1.43 0.00 0.20 -4.52 119.74 119.29 2nnz s LYS 67 Ca 0.11 -0.73 0.03 0.00 0.00 0.00 0.00 55.97 55.38 2nnz s LYS 67 Cb -0.01 -2.84 -0.01 0.00 0.00 0.00 0.00 37.83 34.97 2nnz s LYS 67 CO 0.25 0.49 0.26 -0.40 0.00 0.00 0.00 175.35 175.95 2nnz n ASP 68 N -0.64 0.46 -4.20 0.03 5.68 -1.26 0.12 116.55 116.75 2nnz n ASP 68 Ca -0.08 -0.73 -0.23 0.00 -0.50 0.00 0.00 54.79 53.25 2nnz n ASP 68 Cb 0.55 0.70 -0.14 0.00 -1.14 0.00 0.00 41.12 41.09 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 -0.96 1.41 0.19 2.12 0.11 -1.26 -4.42 120.40 117.59 2nnz s VAL 69 Ca 0.02 -1.05 -0.21 0.00 -2.93 0.00 0.00 61.98 57.81 2nnz s VAL 69 Cb 0.02 -1.23 0.05 0.00 -1.53 0.00 0.00 36.38 33.69 2nnz s VAL 69 CO 0.09 0.16 0.59 0.68 -3.33 0.00 0.00 175.10 173.29 2nnz s VAL 70 N -0.75 0.01 -0.02 2.04 -7.23 -1.26 -5.10 120.40 108.09 2nnz s VAL 70 Ca 0.05 -0.44 0.01 0.00 -1.81 0.00 0.00 61.98 59.80 2nnz s VAL 70 Cb -0.08 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 2nnz s VAL 70 CO 0.01 -0.05 -0.02 -1.83 -0.31 0.00 0.00 175.10 172.90 2nnz s GLU 71 N -3.82 2.77 0.03 4.82 1.03 -1.26 -4.89 118.70 117.38 2nnz s GLU 71 Ca 0.05 -0.59 -0.33 0.00 0.03 0.00 0.00 54.97 54.13 2nnz s GLU 71 Cb -0.02 -2.65 -0.17 0.00 -0.80 0.00 0.00 34.13 30.49 2nnz s GLU 71 CO -0.06 0.64 0.86 -0.11 -1.33 0.00 0.00 175.26 175.25 2nnz n LEU 72 N 1.66 -0.21 0.00 1.83 0.00 -1.26 -2.56 117.00 116.46 2nnz n LEU 72 Ca -0.16 1.02 0.00 0.00 0.00 0.00 0.00 56.01 56.87 2nnz n LEU 72 Cb 0.53 -0.82 0.00 0.00 0.00 0.00 0.00 43.42 43.13 2nnz n LEU 72 CO 0.31 -1.87 0.00 0.61 0.00 0.00 0.00 177.39 176.45 2nnz n GLY 73 N 1.41 1.47 3.87 -3.96 0.00 -1.26 -5.09 105.19 101.63 2nnz n GLY 73 Ca 0.17 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.34 6.44 0.15 1.61 1.47 -1.06 -3.24 116.67 121.70 2nnz s ASP 74 Ca 0.00 1.28 0.09 0.00 1.18 0.00 0.00 52.55 55.10 2nnz s ASP 74 Cb 0.00 -2.39 -0.04 0.00 -0.34 0.00 0.00 42.92 40.14 2nnz s ASP 74 CO 0.00 -0.59 -0.13 -0.69 0.68 0.00 0.00 175.17 174.44 2nnz s VAL 75 N -2.70 3.08 -0.01 2.11 1.01 0.12 -4.59 120.40 119.42 2nnz s VAL 75 Ca 0.54 -1.57 -0.12 0.00 0.00 0.00 0.00 61.98 60.82 2nnz s VAL 75 Cb -0.10 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.81 2nnz s VAL 75 CO 0.39 -0.02 0.25 0.00 0.00 0.00 0.00 175.10 175.73 2nnz s ALA 76 N -1.47 -0.64 -0.22 5.51 0.00 -1.25 -1.82 121.76 121.89 2nnz s ALA 76 Ca 0.22 0.21 -0.06 0.00 0.00 0.00 0.00 51.96 52.33 2nnz s ALA 76 Cb -0.10 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 2nnz s ALA 76 CO 0.13 -0.24 0.04 -0.47 0.00 0.00 0.00 175.76 175.22 2nnz s TYR 77 N -1.25 3.09 -0.27 0.00 5.04 0.46 -2.62 117.35 121.81 2nnz s TYR 77 Ca -0.13 -0.35 -0.28 0.00 -2.44 0.00 0.00 57.07 53.87 2nnz s TYR 77 Cb -0.06 -2.14 -0.03 0.00 0.35 0.00 0.00 41.96 40.08 2nnz s TYR 77 CO 0.03 -0.22 1.90 -0.46 -1.34 0.00 0.00 175.55 175.46 2nnz s TRP 78 N 1.13 1.64 0.00 4.97 -0.11 0.30 -2.19 118.94 124.69 2nnz s TRP 78 Ca 0.04 0.54 -0.04 0.00 1.22 0.00 0.00 56.10 57.85 2nnz s TRP 78 Cb -0.14 -4.06 -0.02 0.00 -1.50 0.00 0.00 33.47 27.74 2nnz s TRP 78 CO 0.02 -3.39 0.75 0.82 -4.62 0.00 0.00 176.95 170.54 2nnz h ILE 79 N 6.77 0.00 -0.09 5.86 2.04 -1.80 -2.03 117.51 128.26 2nnz h ILE 79 Ca -0.36 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 2nnz h ILE 79 Cb 1.19 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2nnz h ILE 79 CO 1.00 0.00 0.12 -2.65 0.00 0.00 0.00 178.15 176.63 2nnz n PRO 80 N -2.57 0.11 0.00 2.37 -0.02 -1.26 -0.16 135.00 133.46 2nnz n PRO 80 Ca -0.02 -1.46 0.00 0.00 -2.02 0.00 0.00 63.50 60.00 2nnz n PRO 80 Cb 0.06 -3.60 0.00 0.00 -0.02 0.00 0.00 33.50 29.94 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 6.00 0.46 2.75 -1.23 0.00 -1.26 -4.85 105.19 107.06 2nnz n GLY 81 Ca 0.37 0.00 -0.19 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 -2.97 -4.68 1.61 4.01 0.77 -4.96 118.16 111.94 2nnz n LYS 82 Ca 0.00 0.74 -0.33 0.00 -0.51 0.00 0.00 58.31 58.21 2nnz n LYS 82 Cb 0.00 -5.44 -0.13 0.00 -0.51 0.00 0.00 35.03 28.95 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 -2.91 2.79 0.21 7.82 0.00 -0.78 -4.62 121.76 124.28 2nnz s ALA 83 Ca 0.15 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 51.12 2nnz s ALA 83 Cb -0.07 -1.25 -0.07 0.00 0.00 0.00 0.00 23.12 21.72 2nnz s ALA 83 CO 0.18 0.37 0.55 0.42 0.00 0.00 0.00 175.76 177.28 2nnz s ILE 84 N -0.09 4.92 0.05 0.00 1.01 -1.24 0.11 121.20 125.97 2nnz s ILE 84 Ca -0.00 0.54 -0.05 0.00 0.00 0.00 0.00 60.65 61.14 2nnz s ILE 84 Cb -0.14 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 2nnz s ILE 84 CO 0.03 -0.01 0.07 0.00 0.00 0.00 0.00 174.94 175.04 2nnz s LEU 86 N -2.49 3.20 -0.03 0.00 1.43 -1.16 -3.78 118.68 115.84 2nnz s LEU 86 Ca 0.00 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 2nnz s LEU 86 Cb 0.02 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.46 2nnz s LEU 86 CO -0.07 0.06 -0.02 -0.36 0.23 0.00 0.00 176.35 176.19 2nnz s PHE 87 N -1.92 0.43 -0.35 0.29 0.08 -1.26 -4.01 117.98 111.24 2nnz s PHE 87 Ca 0.28 -0.06 0.06 0.00 0.12 0.00 0.00 56.93 57.33 2nnz s PHE 87 Cb -0.08 -0.46 0.24 0.00 -0.57 0.00 0.00 43.02 42.15 2nnz s PHE 87 CO 0.18 -0.13 1.22 1.19 -0.10 0.00 0.00 175.22 177.58 2nnz n PHE 88 N 3.99 -1.50 0.00 0.36 3.72 -1.26 -4.59 117.46 118.17 2nnz n PHE 88 Ca -0.25 -1.35 0.00 0.00 -0.05 0.00 0.00 57.45 55.80 2nnz n PHE 88 Cb 0.51 1.40 0.00 0.00 -0.94 0.00 0.00 39.48 40.45 2nnz n PHE 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nnz n GLY 89 N -0.59 -1.45 0.00 1.37 0.00 -1.26 -4.94 105.19 98.32 2nnz n GLY 89 Ca -0.14 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 0.13 -2.98 1.61 -0.00 -1.26 -4.87 118.16 110.79 2nnz n LYS 90 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 2nnz n LYS 90 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2nnz n LYS 90 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2nnz n THR 91 N 0.00 0.00 0.20 0.58 -2.24 -1.24 -3.98 114.28 107.60 2nnz n THR 91 Ca 0.00 -0.87 0.12 0.00 -2.27 0.00 0.00 64.05 61.03 2nnz n THR 91 Cb 0.00 0.69 0.40 0.00 -2.10 0.00 0.00 70.33 69.31 2nnz n THR 91 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2nnz h PRO 92 N 0.00 0.00 -1.25 -0.78 0.11 -1.84 -2.72 132.00 125.52 2nnz h PRO 92 Ca -0.21 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.49 2nnz h PRO 92 Cb 0.81 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.62 2nnz h PRO 92 CO 0.27 0.00 -0.89 0.44 -0.21 0.00 0.00 178.00 177.60 2nnz n ILE 93 N -2.89 -0.28 0.00 4.15 -0.00 -1.26 -5.03 119.36 114.05 2nnz n ILE 93 Ca 0.05 -3.24 0.00 0.00 -0.00 0.00 0.00 62.75 59.56 2nnz n ILE 93 Cb 0.89 -0.17 0.00 0.00 -0.00 0.00 0.00 39.64 40.36 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 0.95 0.00 0.00 7.28 7.64 -1.03 -4.36 113.62 124.10 2nnz n SER 94 Ca 0.17 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.90 2nnz n SER 94 Cb 0.62 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 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 -1.98 0.00 -0.00 6.43 9.92 -1.26 -1.74 116.55 127.92 2nnz n ASP 95 Ca 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2nnz n ASP 95 Cb 0.00 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.47 2nnz n ASP 95 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2nnz n ASP 96 N 3.71 4.78 -0.73 -2.24 5.75 -1.26 -5.09 116.55 121.47 2nnz n ASP 96 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2nnz n ASP 96 Cb 0.00 0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 2nnz n ASP 96 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2nnz n LYS 97 N -2.05 1.91 -3.92 0.11 5.02 -0.71 -5.13 118.16 113.39 2nnz n LYS 97 Ca -0.01 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.94 2nnz n LYS 97 Cb 0.52 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.40 2nnz n LYS 97 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2nnz s ILE 98 N -0.50 2.82 -0.56 -0.18 1.01 -1.26 -4.28 121.20 118.26 2nnz s ILE 98 Ca 0.00 -1.77 -0.16 0.00 0.00 0.00 0.00 60.65 58.73 2nnz s ILE 98 Cb 0.00 -2.79 0.14 0.00 0.01 0.00 0.00 42.46 39.81 2nnz s ILE 98 CO 0.00 -0.34 0.51 -0.60 0.00 0.00 0.00 174.94 174.52 2nnz s ARG 99 N 1.14 3.02 0.32 2.79 6.06 -1.26 -4.66 118.95 126.35 2nnz s ARG 99 Ca 0.01 -1.76 0.09 0.00 -2.50 0.00 0.00 55.73 51.57 2nnz s ARG 99 Cb -0.20 -4.30 0.54 0.00 0.06 0.00 0.00 34.95 31.04 2nnz s ARG 99 CO -0.04 -1.32 1.73 -1.00 -2.50 0.00 0.00 175.30 172.17 2nnz h PRO 100 N 8.81 0.11 0.00 5.12 0.13 -1.95 -3.39 132.00 140.84 2nnz h PRO 100 Ca -0.27 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2nnz h PRO 100 Cb 1.10 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2nnz h PRO 100 CO 1.02 0.53 0.00 0.00 -0.23 0.00 0.00 178.00 179.32 2nnz n ALA 101 N -2.46 0.00 0.59 -0.56 0.00 -1.26 -4.93 120.51 111.89 2nnz n ALA 101 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.49 2nnz n ALA 101 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 2nnz n ALA 101 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2nnz n SER 102 N 0.12 1.02 -2.70 0.00 3.41 -1.26 -4.74 113.62 109.47 2nnz n SER 102 Ca 0.00 -1.01 -0.05 0.00 -0.26 0.00 0.00 58.87 57.55 2nnz n SER 102 Cb 0.00 0.73 0.05 0.00 -0.26 0.00 0.00 64.21 64.73 2nnz n SER 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nnz n ALA 103 N -0.73 -2.83 -2.39 7.33 0.00 -1.26 -4.66 120.51 115.97 2nnz n ALA 103 Ca 0.04 -0.61 -0.28 0.00 0.00 0.00 0.00 53.44 52.59 2nnz n ALA 103 Cb 0.24 -2.51 -0.15 0.00 0.00 0.00 0.00 19.45 17.02 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 0.57 1.87 0.41 0.00 -7.23 0.12 -3.74 120.40 112.40 2nnz s VAL 104 Ca 0.28 -1.15 -0.16 0.00 -1.81 0.00 0.00 61.98 59.14 2nnz s VAL 104 Cb 0.16 -1.59 -0.09 0.00 0.56 0.00 0.00 36.38 35.43 2nnz s VAL 104 CO -0.13 0.40 0.85 0.20 -0.31 0.00 0.00 175.10 176.12 2nnz s ASN 105 N -0.88 6.72 -1.21 4.85 0.02 -0.93 0.62 114.94 124.13 2nnz s ASN 105 Ca 0.09 1.41 -0.17 0.00 -1.02 0.00 0.00 52.86 53.17 2nnz s ASN 105 Cb -0.09 -2.43 0.11 0.00 0.02 0.00 0.00 41.25 38.85 2nnz s ASN 105 CO 0.01 -0.38 1.56 -0.69 0.02 0.00 0.00 177.10 177.61 2nnz s VAL 106 N -2.27 4.45 -0.98 1.60 1.01 -1.26 -0.40 120.40 122.54 2nnz s VAL 106 Ca 0.56 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.55 2nnz s VAL 106 Cb -0.10 -5.05 0.00 0.00 0.00 0.00 0.00 36.38 31.23 2nnz s VAL 106 CO 0.23 -1.84 0.15 0.00 0.00 0.00 0.00 175.10 173.64 2nnz n ILE 107 N 5.79 0.01 0.00 2.22 0.00 -0.75 -4.67 119.36 121.95 2nnz n ILE 107 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 62.75 63.16 2nnz n ILE 107 Cb 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 39.64 39.94 2nnz n ILE 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2nnz n GLY 108 N 0.36 0.20 3.49 4.50 0.00 -1.18 -4.23 105.19 108.34 2nnz n GLY 108 Ca 0.00 -1.99 -0.10 0.00 0.00 0.00 0.00 46.02 43.93 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 1.34 -0.33 1.61 0.52 -1.25 0.12 118.95 120.97 2nnz s ARG 109 Ca 0.00 -0.79 -0.21 0.00 -0.52 0.00 0.00 55.73 54.21 2nnz s ARG 109 Cb 0.00 0.53 -0.00 0.00 0.52 0.00 0.00 34.95 35.99 2nnz s ARG 109 CO 0.00 -0.57 0.65 0.42 0.02 0.00 0.00 175.30 175.82 2nnz s ILE 110 N -3.85 4.90 0.00 1.52 1.09 -1.20 -1.95 121.20 121.71 2nnz s ILE 110 Ca 0.07 0.79 0.00 0.00 -1.10 0.00 0.00 60.65 60.41 2nnz s ILE 110 Cb -0.01 -4.05 0.00 0.00 -1.06 0.00 0.00 42.46 37.34 2nnz s ILE 110 CO -0.05 -0.22 0.00 1.33 -0.10 0.00 0.00 174.94 175.90 2nnz n VAL 111 N 5.49 0.00 -5.20 2.92 0.24 -1.24 -5.00 118.33 115.55 2nnz n VAL 111 Ca -0.01 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.99 2nnz n VAL 111 Cb 0.49 -0.29 -0.16 0.00 -1.47 0.00 0.00 33.84 32.41 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 2.86 0.00 -1.34 4.22 -1.26 -4.92 114.94 113.50 2nnz s ASN 112 Ca 0.00 -0.46 0.00 0.00 -2.14 0.00 0.00 52.86 50.26 2nnz s ASN 112 Cb 0.00 -0.51 0.00 0.00 1.28 0.00 0.00 41.25 42.02 2nnz s ASN 112 CO 0.00 0.27 0.00 -1.54 -2.04 0.00 0.00 177.10 173.79 2nnz n SER 113 N 2.69 0.00 0.00 3.54 3.41 -1.26 -4.35 113.62 117.65 2nnz n SER 113 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 2nnz n SER 113 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2nnz n SER 113 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2nnz n MET 114 N 0.00 0.00 -3.38 4.33 2.81 -1.25 -4.91 117.12 114.72 2nnz n MET 114 Ca 0.00 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.67 2nnz n MET 114 Cb 0.00 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 32.57 2nnz n MET 114 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2nnz n GLU 115 N -1.81 -6.74 -1.04 0.03 1.02 -1.26 -4.90 120.64 105.94 2nnz n GLU 115 Ca 0.00 0.81 0.02 0.00 -0.02 0.00 0.00 57.16 57.97 2nnz n GLU 115 Cb 0.00 -5.69 0.01 0.00 -0.02 0.00 0.00 31.44 25.75 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 -1.81 0.77 0.37 0.62 0.00 -1.26 -4.88 105.19 99.00 2nnz n GLY 116 Ca -0.02 -0.46 0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 0.54 0.70 -0.44 0.99 5.85 -1.90 -2.07 115.31 118.99 2nnz h LEU 117 Ca -0.13 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2nnz h LEU 117 Cb 1.67 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.59 2nnz h LEU 117 CO 0.05 0.37 0.90 0.07 -0.34 0.00 0.00 178.44 179.49 2nnz h LYS 118 N 0.75 0.00 -1.01 1.25 2.10 -1.90 0.34 116.57 118.10 2nnz h LYS 118 Ca 0.44 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.79 2nnz h LYS 118 Cb 0.62 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 31.77 2nnz h LYS 118 CO -0.20 0.00 0.38 0.41 -2.00 0.00 0.00 179.45 178.04 2nnz n GLY 119 N -1.47 3.45 3.82 0.07 0.00 -0.78 -4.69 105.19 105.60 2nnz n GLY 119 Ca 0.01 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.90 4.21 0.36 1.61 -7.23 0.12 -5.04 120.40 112.53 2nnz s VAL 120 Ca 0.32 1.08 -0.22 0.00 -1.81 0.00 0.00 61.98 61.35 2nnz s VAL 120 Cb 0.27 -3.57 -0.10 0.00 0.56 0.00 0.00 36.38 33.54 2nnz s VAL 120 CO 0.06 -0.59 0.91 0.00 -0.31 0.00 0.00 175.10 175.16 2nnz s ALA 121 N -2.52 3.17 -0.27 1.32 0.00 -1.26 -4.94 121.76 117.26 2nnz s ALA 121 Ca 0.61 0.39 -0.33 0.00 0.00 0.00 0.00 51.96 52.63 2nnz s ALA 121 Cb -0.13 -3.10 -0.10 0.00 0.00 0.00 0.00 23.12 19.80 2nnz s ALA 121 CO 0.33 0.19 2.13 -0.40 0.00 0.00 0.00 175.76 178.01 2nnz n ASP 122 N -0.00 2.65 -1.96 0.00 5.75 -1.26 -4.04 116.55 117.69 2nnz n ASP 122 Ca 0.04 0.47 -0.02 0.00 -0.01 0.00 0.00 54.79 55.27 2nnz n ASP 122 Cb 0.52 -1.35 -0.02 0.00 -1.03 0.00 0.00 41.12 39.24 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 5.92 -4.01 3.33 6.12 0.00 -1.25 -4.97 105.19 110.33 2nnz n GLY 123 Ca 0.35 0.54 -0.15 0.00 0.00 0.00 0.00 46.02 46.77 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 -0.89 0.75 1.04 1.61 -1.05 -1.21 -5.01 118.70 113.94 2nnz s GLU 124 Ca -0.12 0.06 -0.18 0.00 -0.15 0.00 0.00 54.97 54.57 2nnz s GLU 124 Cb 0.01 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 34.05 2nnz s GLU 124 CO 0.33 -0.20 -0.25 0.45 0.95 0.00 0.00 175.26 176.54 2nnz n SER 125 N 1.43 -2.85 -3.65 0.83 2.88 -1.26 -1.94 113.62 109.06 2nnz n SER 125 Ca -0.20 0.06 -0.07 0.00 -1.33 0.00 0.00 58.87 57.33 2nnz n SER 125 Cb 0.56 -0.92 -0.07 0.00 -0.75 0.00 0.00 64.21 63.03 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 -2.21 -0.20 -0.26 2.46 1.01 0.22 -4.52 120.40 116.89 2nnz s VAL 126 Ca 0.51 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.53 2nnz s VAL 126 Cb -0.11 -0.92 0.07 0.00 0.00 0.00 0.00 36.38 35.42 2nnz s VAL 126 CO 0.68 0.01 -0.02 0.68 0.00 0.00 0.00 175.10 176.45 2nnz s VAL 127 N 1.86 1.60 -0.05 2.92 -7.23 -1.25 0.17 120.40 118.42 2nnz s VAL 127 Ca -0.09 -1.44 -0.28 0.00 -1.81 0.00 0.00 61.98 58.37 2nnz s VAL 127 Cb -0.07 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 2nnz s VAL 127 CO -0.18 -0.24 0.89 -0.69 -0.31 0.00 0.00 175.10 174.57 2nnz s VAL 128 N 1.33 4.91 -0.18 1.32 1.01 -0.94 -3.74 120.40 124.10 2nnz s VAL 128 Ca -0.02 1.85 -0.10 0.00 0.00 0.00 0.00 61.98 63.72 2nnz s VAL 128 Cb -0.19 -4.23 0.06 0.00 0.00 0.00 0.00 36.38 32.03 2nnz s VAL 128 CO -0.09 0.15 0.44 -1.83 0.00 0.00 0.00 175.10 173.77 2nnz s GLU 129 N 1.21 0.42 -0.89 2.72 -1.05 -0.72 -1.43 118.70 118.96 2nnz s GLU 129 Ca 0.46 0.86 -0.24 0.00 -0.15 0.00 0.00 54.97 55.89 2nnz s GLU 129 Cb -0.19 0.03 0.01 0.00 -0.44 0.00 0.00 34.13 33.53 2nnz s GLU 129 CO 0.22 -0.17 1.61 0.50 0.95 0.00 0.00 175.26 178.38 2nnz s ARG 130 N 1.54 3.11 0.00 -4.83 3.00 -1.26 0.91 118.95 121.42 2nnz s ARG 130 Ca -0.09 -0.54 0.00 0.00 -1.00 0.00 0.00 55.73 54.10 2nnz s ARG 130 Cb -0.08 -4.97 0.00 0.00 0.00 0.00 0.00 34.95 29.89 2nnz s ARG 130 CO -0.14 -2.60 0.00 0.00 0.00 0.00 0.00 175.30 172.56