#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 3.04 0.10 3.03 0.00 -1.26 -5.02 105.19 105.08 2nnz n GLY 2 Ca 0.00 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 2nnz n GLY 2 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2nnz n GLU 3 N -1.24 0.86 0.00 1.61 0.00 -1.26 -5.00 120.64 115.62 2nnz n GLU 3 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.22 2nnz n GLU 3 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 31.44 30.00 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 -2.90 0.00 -0.41 3.44 5.12 -1.26 -5.06 116.66 115.59 2nnz n ARG 4 Ca -0.34 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.57 2nnz n ARG 4 Cb 0.99 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 32.28 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 0.33 -0.04 2.32 -0.13 0.00 -1.26 -5.05 105.19 101.36 2nnz n GLY 5 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.08 1.61 0.24 -1.26 -3.95 118.33 113.69 2nnz n VAL 6 Ca -0.04 -4.60 -0.02 0.00 -2.04 0.00 0.00 64.34 57.64 2nnz n VAL 6 Cb 0.26 -2.02 -0.03 0.00 -1.47 0.00 0.00 33.84 30.58 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 1.19 0.00 -3.78 7.34 -0.58 -1.26 -4.95 120.64 118.60 2nnz n GLU 7 Ca 0.25 -0.87 -0.36 0.00 -0.42 0.00 0.00 57.16 55.77 2nnz n GLU 7 Cb 0.47 0.14 -0.10 0.00 -0.57 0.00 0.00 31.44 31.38 2nnz n GLU 7 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2nnz s MET 8 N 0.00 4.01 0.03 3.49 0.23 -1.25 -4.96 119.30 120.85 2nnz s MET 8 Ca 0.06 -0.31 0.04 0.00 -1.03 0.00 0.00 55.69 54.45 2nnz s MET 8 Cb 0.07 -3.41 -0.02 0.00 -1.53 0.00 0.00 34.83 29.94 2nnz s MET 8 CO -0.03 0.12 -0.12 -0.98 -2.03 0.00 0.00 175.02 171.99 2nnz s ARG 9 N 0.83 0.80 0.30 3.16 1.04 -1.26 0.87 118.95 124.68 2nnz s ARG 9 Ca 0.06 -0.67 0.09 0.00 -1.04 0.00 0.00 55.73 54.17 2nnz s ARG 9 Cb -0.13 -0.76 -0.04 0.00 -2.04 0.00 0.00 34.95 31.98 2nnz s ARG 9 CO 0.02 0.19 0.06 -0.48 -0.04 0.00 0.00 175.30 175.05 2nnz s LEU 10 N -1.04 3.23 -0.05 -1.89 2.34 -0.61 -4.32 118.68 116.34 2nnz s LEU 10 Ca -0.00 -0.71 -0.02 0.00 0.06 0.00 0.00 54.13 53.46 2nnz s LEU 10 Cb -0.07 -1.72 -0.04 0.00 -0.56 0.00 0.00 46.19 43.80 2nnz s LEU 10 CO 0.01 -0.14 0.07 -0.60 -1.06 0.00 0.00 176.35 174.62 2nnz s ARG 11 N -3.75 3.10 -0.26 1.48 3.00 0.29 -3.06 118.95 119.74 2nnz s ARG 11 Ca 0.34 -0.40 -0.04 0.00 -1.00 0.00 0.00 55.73 54.63 2nnz s ARG 11 Cb -0.04 -2.89 0.09 0.00 0.00 0.00 0.00 34.95 32.10 2nnz s ARG 11 CO 0.21 0.69 0.11 0.42 0.00 0.00 0.00 175.30 176.73 2nnz s ILE 12 N -1.07 0.05 0.17 4.11 1.01 -1.09 -1.76 121.20 122.63 2nnz s ILE 12 Ca 0.18 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 60.21 2nnz s ILE 12 Cb -0.12 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 2nnz s ILE 12 CO 0.09 -0.59 0.27 0.00 0.00 0.00 0.00 174.94 174.70 2nnz s ARG 13 N 2.05 3.31 -0.01 2.79 1.70 -1.25 -2.53 118.95 125.02 2nnz s ARG 13 Ca 0.07 -0.70 0.01 0.00 -0.47 0.00 0.00 55.73 54.63 2nnz s ARG 13 Cb -0.16 -2.87 0.00 0.00 -0.57 0.00 0.00 34.95 31.35 2nnz s ARG 13 CO -0.28 0.49 -0.03 -0.06 -1.08 0.00 0.00 175.30 174.35 2nnz s PHE 14 N -1.81 0.28 0.56 5.89 0.40 0.47 -3.92 117.98 119.86 2nnz s PHE 14 Ca 0.34 -0.04 0.42 0.00 -0.60 0.00 0.00 56.93 57.04 2nnz s PHE 14 Cb -0.10 -0.22 1.56 0.00 0.51 0.00 0.00 43.02 44.77 2nnz s PHE 14 CO 0.27 -0.03 1.63 0.93 0.70 0.00 0.00 175.22 178.73 2nnz h GLU 15 N 6.26 0.00 0.00 0.44 3.07 -1.92 0.31 114.58 122.74 2nnz h GLU 15 Ca -0.29 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.56 2nnz h GLU 15 Cb 1.19 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.07 2nnz h GLU 15 CO 0.50 0.00 -0.26 0.43 -1.40 0.00 0.00 179.01 178.28 2nnz n SER 16 N -3.91 1.59 -3.62 1.42 7.64 -1.26 -5.07 113.62 110.42 2nnz n SER 16 Ca 0.34 -2.87 -0.04 0.00 1.01 0.00 0.00 58.87 57.31 2nnz n SER 16 Cb 1.65 -0.38 -0.04 0.00 -1.01 0.00 0.00 64.21 64.43 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 -2.04 -2.07 0.02 -0.43 0.00 0.11 -4.96 121.76 112.39 2nnz s ALA 17 Ca 0.25 1.75 0.03 0.00 0.00 0.00 0.00 51.96 53.99 2nnz s ALA 17 Cb 0.23 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 2nnz s ALA 17 CO -0.00 -0.37 -0.08 -1.83 0.00 0.00 0.00 175.76 173.47 2nnz s GLU 18 N -1.48 0.58 -0.11 0.00 4.04 -1.26 0.18 118.70 120.64 2nnz s GLU 18 Ca 0.07 -0.53 -0.30 0.00 0.04 0.00 0.00 54.97 54.25 2nnz s GLU 18 Cb -0.01 -0.48 0.09 0.00 0.02 0.00 0.00 34.13 33.75 2nnz s GLU 18 CO -0.05 0.12 0.81 0.00 -1.84 0.00 0.00 175.26 174.29 2nnz s GLU 20 N -0.99 1.78 -0.17 0.00 2.02 -1.26 -2.66 118.70 117.41 2nnz s GLU 20 Ca -0.06 -1.53 -0.13 0.00 0.02 0.00 0.00 54.97 53.27 2nnz s GLU 20 Cb -0.01 -1.93 0.05 0.00 0.10 0.00 0.00 34.13 32.34 2nnz s GLU 20 CO 0.06 0.38 0.44 0.54 0.02 0.00 0.00 175.26 176.70 2nnz s VAL 21 N -2.01 -0.01 0.66 2.63 0.11 -1.17 -2.95 120.40 117.66 2nnz s VAL 21 Ca 0.26 0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.32 2nnz s VAL 21 Cb -0.07 -0.63 0.13 0.00 -1.53 0.00 0.00 36.38 34.29 2nnz s VAL 21 CO 0.14 0.01 0.90 -0.62 -3.33 0.00 0.00 175.10 172.20 2nnz n GLU 22 N 3.43 -0.15 -3.75 1.54 1.02 -0.82 -1.57 120.64 120.33 2nnz n GLU 22 Ca -0.17 -2.28 -0.13 0.00 -0.02 0.00 0.00 57.16 54.56 2nnz n GLU 22 Cb 0.56 -0.65 -0.09 0.00 -0.02 0.00 0.00 31.44 31.24 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 0.77 0.07 -4.62 2.96 0.25 -3.71 118.68 114.40 2nnz s LEU 23 Ca 0.58 0.30 0.09 0.00 -0.22 0.00 0.00 54.13 54.88 2nnz s LEU 23 Cb -0.03 1.26 -0.03 0.00 0.50 0.00 0.00 46.19 47.89 2nnz s LEU 23 CO 0.39 -0.34 -0.25 -0.31 -1.32 0.00 0.00 176.35 174.52 2nnz s TYR 24 N -0.83 2.15 -1.08 5.38 2.02 -1.26 -3.82 117.35 119.91 2nnz s TYR 24 Ca -0.09 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.21 2nnz s TYR 24 Cb -0.04 -1.25 0.00 0.00 -0.40 0.00 0.00 41.96 40.27 2nnz s TYR 24 CO 0.03 0.17 0.95 0.39 -1.57 0.00 0.00 175.55 175.51 2nnz n GLU 25 N 1.55 0.00 -0.31 -0.62 1.02 -1.25 -3.20 120.64 117.83 2nnz n GLU 25 Ca -0.17 0.45 0.35 0.00 -0.02 0.00 0.00 57.16 57.76 2nnz n GLU 25 Cb 0.53 -1.51 0.70 0.00 -0.02 0.00 0.00 31.44 31.14 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 0.97 114.58 121.22 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 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 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 0.00 0.00 2.06 -0.00 -1.85 -3.44 115.95 112.71 2nnz h TRP 27 Ca 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.46 2nnz h TRP 27 Cb 2.53 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.69 2nnz h TRP 27 CO 0.00 0.38 0.00 0.00 -0.00 0.00 0.00 178.44 178.82 2nnz n ALA 28 N -2.72 0.00 -0.37 2.65 0.00 0.34 -4.79 120.51 115.62 2nnz n ALA 28 Ca -0.04 0.00 0.37 0.00 0.00 0.00 0.00 53.44 53.78 2nnz n ALA 28 Cb 0.18 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.39 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 -0.35 0.00 0.13 -1.93 0.16 132.00 130.01 2nnz h PRO 29 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 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 -0.08 0.93 -0.23 0.00 0.00 178.00 178.62 2nnz h GLU 30 N 0.00 0.67 -0.21 0.86 4.39 -1.95 -3.11 114.58 115.23 2nnz h GLU 30 Ca 0.61 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 60.01 2nnz h GLU 30 Cb 2.48 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 31.08 2nnz h GLU 30 CO -0.01 0.83 -0.04 1.79 -1.16 0.00 0.00 179.01 180.43 2nnz h THR 31 N 0.47 1.28 -1.19 1.13 1.35 -1.06 -2.92 112.91 111.96 2nnz h THR 31 Ca 0.09 -1.00 0.35 0.00 -0.55 0.00 0.00 66.41 65.30 2nnz h THR 31 Cb 0.58 1.52 -0.10 0.00 -1.73 0.00 0.00 68.15 68.42 2nnz h THR 31 CO 0.03 0.31 0.79 0.58 -0.25 0.00 0.00 175.52 176.97 2nnz h VAL 32 N 0.12 0.34 -0.86 6.82 2.07 -1.44 0.49 116.25 123.80 2nnz h VAL 32 Ca 0.05 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.58 2nnz h VAL 32 Cb 0.48 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 2nnz h VAL 32 CO 0.02 0.04 0.56 -0.09 0.02 0.00 0.00 177.57 178.11 2nnz h ARG 33 N 0.21 0.86 -0.15 1.57 2.43 -1.45 -1.67 114.38 116.18 2nnz h ARG 33 Ca 0.69 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.78 2nnz h ARG 33 Cb 2.08 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 31.43 2nnz h ARG 33 CO -0.30 0.57 0.00 0.00 -1.51 0.00 0.00 179.97 178.74 2nnz h ALA 34 N 1.56 0.21 -0.22 2.80 0.00 -0.13 0.55 119.26 124.01 2nnz h ALA 34 Ca 0.39 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.15 2nnz h ALA 34 Cb 0.34 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2nnz h ALA 34 CO -0.15 -0.10 -0.04 0.82 0.00 0.00 0.00 179.25 179.78 2nnz h ILE 35 N 0.02 0.80 0.00 0.00 1.08 -1.38 0.23 117.51 118.26 2nnz h ILE 35 Ca 0.04 -0.01 -0.03 0.00 -0.39 0.00 0.00 64.86 64.47 2nnz h ILE 35 Cb 0.36 0.77 -0.00 0.00 -3.07 0.00 0.00 36.82 34.88 2nnz h ILE 35 CO 0.01 0.00 -0.15 0.00 -0.69 0.00 0.00 178.15 177.32 2nnz h ALA 36 N 1.21 1.63 0.00 1.87 0.00 -1.25 -0.98 119.26 121.75 2nnz h ALA 36 Ca 0.11 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2nnz h ALA 36 Cb 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2nnz h ALA 36 CO -0.21 0.19 -0.32 0.22 0.00 0.00 0.00 179.25 179.13 2nnz h ASP 37 N 0.00 0.00 -1.82 0.00 3.58 0.10 -3.23 116.42 115.06 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 0.29 0.00 -0.25 0.00 1.72 0.00 0.00 39.33 41.09 2nnz h ASP 37 CO 0.02 0.32 0.97 0.00 -2.88 0.00 0.00 179.24 177.67 2nnz n ALA 38 N -2.28 6.48 -1.00 -0.78 0.00 -0.29 -5.00 120.51 117.63 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 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2nnz n ALA 38 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2nnz n LEU 39 N -0.15 0.00 -1.91 0.00 4.77 -1.22 -4.53 117.00 113.97 2nnz n LEU 39 Ca 0.53 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 56.30 2nnz n LEU 39 Cb 0.30 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 2nnz n LEU 39 CO 0.48 -0.45 0.89 -2.65 -1.33 0.00 0.00 177.39 174.33 2nnz n PRO 40 N 0.00 0.00 -3.85 3.23 -0.02 -0.30 -4.51 135.00 129.55 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 -0.65 -0.09 0.00 -0.02 0.00 0.00 33.50 32.74 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 3.45 0.08 0.05 4.25 1.01 -0.38 -4.95 121.20 124.71 2nnz s ILE 41 Ca 0.56 -0.69 -0.24 0.00 0.00 0.00 0.00 60.65 60.28 2nnz s ILE 41 Cb -0.58 -0.52 -0.06 0.00 0.01 0.00 0.00 42.46 41.31 2nnz s ILE 41 CO 0.24 -0.38 0.72 -0.54 0.00 0.00 0.00 174.94 174.97 2nnz s LYS 42 N -1.54 4.45 -0.01 2.79 1.02 -1.26 -1.87 119.74 123.32 2nnz s LYS 42 Ca -0.13 0.98 -0.09 0.00 0.02 0.00 0.00 55.97 56.75 2nnz s LYS 42 Cb -0.06 -3.34 0.01 0.00 -0.52 0.00 0.00 37.83 33.92 2nnz s LYS 42 CO 0.01 0.36 0.19 -1.54 -0.92 0.00 0.00 175.35 173.45 2nnz s SER 43 N -0.28 -0.06 -0.23 2.83 1.04 0.36 -4.89 113.70 112.47 2nnz s SER 43 Ca 0.36 -0.05 -0.09 0.00 0.48 0.00 0.00 55.95 56.65 2nnz s SER 43 Cb -0.20 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 2nnz s SER 43 CO 0.22 -0.35 0.12 -0.89 0.98 0.00 0.00 173.24 173.31 2nnz s THR 44 N -1.17 5.00 0.01 2.02 2.01 -1.26 0.61 115.64 122.86 2nnz s THR 44 Ca -0.12 0.05 -0.26 0.00 0.31 0.00 0.00 61.69 61.67 2nnz s THR 44 Cb -0.06 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.09 2nnz s THR 44 CO 0.02 0.38 0.80 0.00 -0.69 0.00 0.00 174.62 175.13 2nnz s ALA 45 N 0.97 3.31 -0.27 7.40 0.00 -1.15 -4.31 121.76 127.72 2nnz s ALA 45 Ca 0.06 0.31 -0.09 0.00 0.00 0.00 0.00 51.96 52.24 2nnz s ALA 45 Cb -0.14 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 2nnz s ALA 45 CO 0.03 -0.04 0.12 -0.80 0.00 0.00 0.00 175.76 175.07 2nnz s ASN 46 N 0.36 5.46 0.13 0.00 -0.87 -0.98 -3.55 114.94 115.49 2nnz s ASN 46 Ca 0.41 -0.23 -0.27 0.00 -1.57 0.00 0.00 52.86 51.20 2nnz s ASN 46 Cb -0.20 -1.99 -0.07 0.00 -0.02 0.00 0.00 41.25 38.97 2nnz s ASN 46 CO 0.23 -0.07 0.85 -0.13 -2.57 0.00 0.00 177.10 175.41 2nnz s ARG 47 N 1.65 4.63 -0.02 -0.60 1.81 -1.26 -3.00 118.95 122.16 2nnz s ARG 47 Ca 0.06 1.27 -0.13 0.00 -1.72 0.00 0.00 55.73 55.22 2nnz s ARG 47 Cb -0.16 -3.33 0.02 0.00 -0.45 0.00 0.00 34.95 31.04 2nnz s ARG 47 CO 0.06 0.38 0.27 -0.46 -0.68 0.00 0.00 175.30 174.87 2nnz s TRP 48 N -0.51 -0.16 -0.93 -0.53 -0.11 -0.19 -4.94 118.94 111.57 2nnz s TRP 48 Ca 0.41 0.26 -0.14 0.00 1.22 0.00 0.00 56.10 57.85 2nnz s TRP 48 Cb -0.23 0.07 -0.28 0.00 -1.50 0.00 0.00 33.47 31.53 2nnz s TRP 48 CO 0.27 -0.34 2.15 0.41 -4.62 0.00 0.00 176.95 174.82 2nnz n GLY 49 N 1.54 -0.46 4.16 5.86 0.00 -1.26 -0.98 105.19 114.04 2nnz n GLY 49 Ca -0.21 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 6.47 0.00 -4.85 1.61 2.03 -1.26 -4.19 116.55 116.36 2nnz n ASP 50 Ca 0.63 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.62 2nnz n ASP 50 Cb 0.10 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.45 2nnz n ASP 50 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2nnz s GLU 51 N 0.00 3.95 -0.19 -0.67 2.02 -0.16 -4.35 118.70 119.30 2nnz s GLU 51 Ca 0.00 0.69 -0.05 0.00 0.02 0.00 0.00 54.97 55.63 2nnz s GLU 51 Cb 0.00 -2.35 0.09 0.00 0.10 0.00 0.00 34.13 31.97 2nnz s GLU 51 CO 0.00 0.02 0.36 0.42 0.02 0.00 0.00 175.26 176.08 2nnz s ILE 52 N -2.21 -0.56 -0.01 -1.63 1.09 -1.25 -1.02 121.20 115.60 2nnz s ILE 52 Ca 0.55 0.13 0.06 0.00 -1.10 0.00 0.00 60.65 60.28 2nnz s ILE 52 Cb -0.10 -0.64 -0.02 0.00 -1.06 0.00 0.00 42.46 40.64 2nnz s ILE 52 CO 0.23 0.02 -0.19 -0.72 -0.10 0.00 0.00 174.94 174.18 2nnz s TYR 53 N 2.53 1.73 0.01 3.97 -0.85 -1.16 -2.87 117.35 120.71 2nnz s TYR 53 Ca 0.03 -0.33 -0.00 0.00 -0.52 0.00 0.00 57.07 56.25 2nnz s TYR 53 Cb -0.13 -1.11 -0.01 0.00 0.38 0.00 0.00 41.96 41.09 2nnz s TYR 53 CO -0.12 -0.03 -0.01 -0.59 -1.52 0.00 0.00 175.55 173.28 2nnz s PHE 54 N -0.47 0.13 0.10 -3.49 -0.12 -1.21 -2.32 117.98 110.60 2nnz s PHE 54 Ca 0.07 -0.26 -0.10 0.00 -0.05 0.00 0.00 56.93 56.59 2nnz s PHE 54 Cb -0.07 -0.10 -0.06 0.00 -0.63 0.00 0.00 43.02 42.16 2nnz s PHE 54 CO -0.01 -0.11 0.43 0.99 -0.05 0.00 0.00 175.22 176.47 2nnz s THR 55 N -0.77 5.06 -0.10 -4.49 2.01 -1.26 -3.66 115.64 112.42 2nnz s THR 55 Ca -0.08 0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.41 2nnz s THR 55 Cb -0.05 -3.66 0.02 0.00 0.01 0.00 0.00 72.50 68.82 2nnz s THR 55 CO -0.00 0.25 0.86 0.35 -0.69 0.00 0.00 174.62 175.38 2nnz n THR 56 N 0.80 0.66 -0.20 -0.82 -2.24 -1.26 -4.37 114.28 106.84 2nnz n THR 56 Ca -0.07 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 2nnz n THR 56 Cb 0.52 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 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 -0.25 0.00 -2.87 -0.78 6.02 -1.26 -4.99 117.38 113.26 2nnz n GLN 57 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.58 2nnz n GLN 57 Cb 0.18 -1.57 -0.04 0.00 1.02 0.00 0.00 30.24 29.83 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 -3.11 4.68 -0.70 5.09 0.11 -1.26 -5.00 120.40 120.21 2nnz s VAL 58 Ca 0.00 1.20 -0.15 0.00 -2.93 0.00 0.00 61.98 60.09 2nnz s VAL 58 Cb 0.00 -4.25 0.17 0.00 -1.53 0.00 0.00 36.38 30.77 2nnz s VAL 58 CO 0.00 -0.41 0.67 0.00 -3.33 0.00 0.00 175.10 172.03 2nnz s ALA 59 N 3.23 3.84 -0.25 1.54 0.00 -1.26 -4.88 121.76 123.98 2nnz s ALA 59 Ca 0.36 -2.91 -0.01 0.00 0.00 0.00 0.00 51.96 49.39 2nnz s ALA 59 Cb -0.13 -3.44 0.07 0.00 0.00 0.00 0.00 23.12 19.62 2nnz s ALA 59 CO 0.16 -2.21 0.02 0.54 0.00 0.00 0.00 175.76 174.27 2nnz s VAL 60 N 1.01 1.05 -0.03 0.00 0.11 -1.26 -5.11 120.40 116.16 2nnz s VAL 60 Ca 0.12 -1.10 0.01 0.00 -2.93 0.00 0.00 61.98 58.07 2nnz s VAL 60 Cb -0.19 -1.55 0.02 0.00 -1.53 0.00 0.00 36.38 33.13 2nnz s VAL 60 CO -0.03 -0.32 -0.02 -1.61 -3.33 0.00 0.00 175.10 169.79 2nnz s GLU 61 N 1.59 0.41 0.14 1.54 2.02 -1.26 -4.74 118.70 118.40 2nnz s GLU 61 Ca 0.01 -0.00 -0.02 0.00 0.02 0.00 0.00 54.97 54.97 2nnz s GLU 61 Cb -0.18 -0.52 -0.04 0.00 0.10 0.00 0.00 34.13 33.50 2nnz s GLU 61 CO -0.12 -0.08 0.09 0.21 0.02 0.00 0.00 175.26 175.38 2nnz s LYS 62 N 0.78 0.98 -0.86 1.61 2.20 -1.26 -5.11 119.74 118.08 2nnz s LYS 62 Ca -0.08 -1.41 -0.14 0.00 -0.36 0.00 0.00 55.97 53.97 2nnz s LYS 62 Cb -0.12 0.26 0.22 0.00 -1.51 0.00 0.00 37.83 36.69 2nnz s LYS 62 CO -0.01 -0.29 0.81 -1.83 -0.36 0.00 0.00 175.35 173.67 2nnz s GLU 63 N -4.04 3.65 -0.10 4.03 1.03 -1.26 -4.98 118.70 117.04 2nnz s GLU 63 Ca 0.24 -2.50 -0.31 0.00 0.03 0.00 0.00 54.97 52.44 2nnz s GLU 63 Cb 0.07 -4.46 0.12 0.00 -0.80 0.00 0.00 34.13 29.06 2nnz s GLU 63 CO 0.02 -1.31 1.01 -2.00 -1.33 0.00 0.00 175.26 171.66 2nnz s GLU 64 N 0.15 0.61 0.41 -4.83 2.12 -1.26 -5.04 118.70 110.86 2nnz s GLU 64 Ca 0.20 -0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.37 2nnz s GLU 64 Cb -0.10 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.57 2nnz s GLU 64 CO -0.09 -0.25 0.00 -1.71 -0.54 0.00 0.00 175.26 172.67 2nnz n ASN 65 N 0.01 0.00 -2.09 -1.70 2.85 -1.26 -4.85 115.26 108.22 2nnz n ASN 65 Ca -0.06 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 2.08 -2.94 -4.89 1.20 7.64 -1.26 -4.94 113.62 110.51 2nnz n SER 66 Ca 0.00 0.03 -0.25 0.00 1.01 0.00 0.00 58.87 59.66 2nnz n SER 66 Cb 0.00 -0.79 -0.04 0.00 -1.01 0.00 0.00 64.21 62.38 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 -0.93 3.21 0.00 1.43 0.00 0.18 -4.53 119.74 119.10 2nnz s LYS 67 Ca 0.12 -0.76 0.02 0.00 0.00 0.00 0.00 55.97 55.35 2nnz s LYS 67 Cb -0.01 -2.81 -0.01 0.00 0.00 0.00 0.00 37.83 35.00 2nnz s LYS 67 CO 0.26 0.48 0.24 -0.40 0.00 0.00 0.00 175.35 175.93 2nnz n ASP 68 N -0.69 0.43 -4.18 0.03 5.75 -1.26 -0.02 116.55 116.61 2nnz n ASP 68 Ca -0.08 -0.72 -0.24 0.00 -0.01 0.00 0.00 54.79 53.74 2nnz n ASP 68 Cb 0.55 0.70 -0.15 0.00 -1.03 0.00 0.00 41.12 41.19 2nnz n ASP 68 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2nnz s VAL 69 N -0.91 1.41 0.11 2.12 0.11 -1.26 -4.43 120.40 117.55 2nnz s VAL 69 Ca 0.01 -0.90 -0.22 0.00 -2.93 0.00 0.00 61.98 57.94 2nnz s VAL 69 Cb 0.02 -1.20 0.06 0.00 -1.53 0.00 0.00 36.38 33.73 2nnz s VAL 69 CO 0.07 0.28 0.55 0.68 -3.33 0.00 0.00 175.10 173.35 2nnz s VAL 70 N -0.58 0.02 0.19 2.04 -7.23 -1.26 -5.10 120.40 108.48 2nnz s VAL 70 Ca 0.06 -0.18 -0.05 0.00 -1.81 0.00 0.00 61.98 60.00 2nnz s VAL 70 Cb -0.07 -1.03 -0.06 0.00 0.56 0.00 0.00 36.38 35.78 2nnz s VAL 70 CO 0.00 -0.10 0.44 -1.61 -0.31 0.00 0.00 175.10 173.52 2nnz s GLU 71 N -3.24 3.65 -0.10 4.82 2.02 -1.26 -4.95 118.70 119.64 2nnz s GLU 71 Ca -0.01 -0.03 -0.39 0.00 0.02 0.00 0.00 54.97 54.56 2nnz s GLU 71 Cb -0.00 -2.78 -0.17 0.00 0.10 0.00 0.00 34.13 31.28 2nnz s GLU 71 CO -0.08 0.40 1.47 -0.11 0.02 0.00 0.00 175.26 176.95 2nnz n LEU 72 N -0.17 1.65 0.00 1.80 7.94 -1.26 -2.38 117.00 124.58 2nnz n LEU 72 Ca -0.02 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 2nnz n LEU 72 Cb 0.52 -1.11 0.00 0.00 0.53 0.00 0.00 43.42 43.36 2nnz n LEU 72 CO 0.48 -0.93 0.00 0.61 -1.11 0.00 0.00 177.39 176.44 2nnz n GLY 73 N 3.08 1.47 3.82 -3.96 0.00 -1.26 -5.10 105.19 103.24 2nnz n GLY 73 Ca 0.22 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 5.88 0.15 1.61 1.47 -1.00 -3.39 116.67 121.02 2nnz s ASP 74 Ca 0.00 1.72 0.08 0.00 1.18 0.00 0.00 52.55 55.53 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 -1.10 -0.08 -0.69 0.68 0.00 0.00 175.17 173.98 2nnz s VAL 75 N -2.62 3.37 -0.05 2.11 1.01 0.14 -4.55 120.40 119.80 2nnz s VAL 75 Ca 0.61 -1.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 2nnz s VAL 75 Cb -0.14 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.62 2nnz s VAL 75 CO 0.40 -0.02 0.27 0.00 0.00 0.00 0.00 175.10 175.75 2nnz s ALA 76 N -1.50 -0.67 -0.26 5.51 0.00 -1.25 -1.50 121.76 122.09 2nnz s ALA 76 Ca 0.24 0.44 -0.10 0.00 0.00 0.00 0.00 51.96 52.54 2nnz s ALA 76 Cb -0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 2nnz s ALA 76 CO 0.15 -0.20 0.15 -0.47 0.00 0.00 0.00 175.76 175.39 2nnz s TYR 77 N -0.74 3.21 -0.17 0.00 5.04 0.19 -2.82 117.35 122.06 2nnz s TYR 77 Ca -0.08 0.02 -0.29 0.00 -2.44 0.00 0.00 57.07 54.27 2nnz s TYR 77 Cb -0.04 -2.31 -0.05 0.00 0.35 0.00 0.00 41.96 39.91 2nnz s TYR 77 CO 0.02 -0.15 1.87 -0.46 -1.34 0.00 0.00 175.55 175.49 2nnz s TRP 78 N 1.54 1.64 -0.01 4.97 -0.11 0.11 -2.32 118.94 124.76 2nnz s TRP 78 Ca 0.07 0.32 -0.05 0.00 1.22 0.00 0.00 56.10 57.66 2nnz s TRP 78 Cb -0.15 -4.04 -0.03 0.00 -1.50 0.00 0.00 33.47 27.76 2nnz s TRP 78 CO 0.08 -3.85 0.53 0.82 -4.62 0.00 0.00 176.95 169.91 2nnz h ILE 79 N 6.34 0.00 -0.08 5.86 2.04 -1.82 -2.61 117.51 127.25 2nnz h ILE 79 Ca -0.39 -0.14 -0.27 0.00 1.00 0.00 0.00 64.86 65.05 2nnz h ILE 79 Cb 1.20 0.00 0.05 0.00 -0.74 0.00 0.00 36.82 37.33 2nnz h ILE 79 CO 0.98 0.00 0.69 -2.65 0.00 0.00 0.00 178.15 177.16 2nnz n PRO 80 N -2.85 0.24 0.00 2.37 -0.02 -1.26 -0.76 135.00 132.72 2nnz n PRO 80 Ca -0.02 -1.52 0.00 0.00 -2.02 0.00 0.00 63.50 59.94 2nnz n PRO 80 Cb 0.07 -3.36 0.00 0.00 -0.02 0.00 0.00 33.50 30.18 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 5.62 0.35 2.52 -1.23 0.00 -1.26 -4.89 105.19 106.30 2nnz n GLY 81 Ca 0.44 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.30 2nnz n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nnz n LYS 82 N 0.00 -2.30 -4.90 1.61 4.01 0.06 -4.95 118.16 111.69 2nnz n LYS 82 Ca 0.00 0.71 -0.33 0.00 -0.51 0.00 0.00 58.31 58.19 2nnz n LYS 82 Cb 0.00 -5.35 -0.14 0.00 -0.51 0.00 0.00 35.03 29.03 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 -2.78 2.60 0.23 7.82 0.00 -1.01 -4.64 121.76 123.99 2nnz s ALA 83 Ca 0.04 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 50.90 2nnz s ALA 83 Cb -0.02 -1.01 -0.08 0.00 0.00 0.00 0.00 23.12 22.02 2nnz s ALA 83 CO 0.05 0.45 0.63 0.42 0.00 0.00 0.00 175.76 177.31 2nnz s ILE 84 N -0.36 4.79 -0.05 0.00 1.01 -1.24 0.08 121.20 125.43 2nnz s ILE 84 Ca 0.04 0.82 -0.02 0.00 0.00 0.00 0.00 60.65 61.48 2nnz s ILE 84 Cb -0.12 -3.68 0.03 0.00 0.01 0.00 0.00 42.46 38.69 2nnz s ILE 84 CO 0.02 0.02 0.12 0.00 0.00 0.00 0.00 174.94 175.10 2nnz s LEU 86 N 0.93 3.84 -0.02 0.00 1.43 -1.14 -3.80 118.68 119.91 2nnz s LEU 86 Ca -0.07 0.83 0.01 0.00 -1.03 0.00 0.00 54.13 53.87 2nnz s LEU 86 Cb -0.10 -3.72 0.01 0.00 0.03 0.00 0.00 46.19 42.42 2nnz s LEU 86 CO -0.04 -0.40 -0.03 -0.36 0.23 0.00 0.00 176.35 175.75 2nnz s PHE 87 N -2.44 0.44 0.00 0.29 0.08 -1.26 -3.92 117.98 111.18 2nnz s PHE 87 Ca 0.46 -0.08 0.07 0.00 0.12 0.00 0.00 56.93 57.51 2nnz s PHE 87 Cb -0.10 -0.39 0.12 0.00 -0.57 0.00 0.00 43.02 42.08 2nnz s PHE 87 CO 0.37 -0.08 1.01 0.34 -0.10 0.00 0.00 175.22 176.76 2nnz n PHE 88 N 3.56 0.00 0.00 0.36 7.35 -1.26 -4.54 117.46 122.92 2nnz n PHE 88 Ca -0.20 -0.44 0.00 0.00 -0.76 0.00 0.00 57.45 56.05 2nnz n PHE 88 Cb 0.54 0.28 0.00 0.00 0.35 0.00 0.00 39.48 40.65 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 0.14 0.20 2.96 7.13 0.00 -1.26 -5.04 105.19 109.33 2nnz n GLY 89 Ca -0.15 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 2nnz n GLY 89 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2nnz n LYS 90 N 0.00 0.00 -2.98 1.61 0.00 -1.26 -4.90 118.16 110.63 2nnz n LYS 90 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.24 2nnz n LYS 90 Cb 0.00 -0.99 0.00 0.00 -0.00 0.00 0.00 35.03 34.05 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 -3.41 0.00 -0.17 0.58 -2.24 -1.26 -4.44 114.28 103.33 2nnz n THR 91 Ca -0.02 -0.87 0.28 0.00 -2.27 0.00 0.00 64.05 61.17 2nnz n THR 91 Cb 0.74 0.69 0.52 0.00 -2.10 0.00 0.00 70.33 70.18 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 -1.37 -0.78 0.11 -1.85 -0.13 132.00 127.99 2nnz h PRO 92 Ca -0.21 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.47 2nnz h PRO 92 Cb 0.82 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.53 2nnz h PRO 92 CO 0.27 0.00 -1.11 -0.89 -0.21 0.00 0.00 178.00 176.06 2nnz n ILE 93 N -3.36 0.99 0.00 4.15 -0.00 -1.26 -4.99 119.36 114.89 2nnz n ILE 93 Ca 0.21 -3.78 0.00 0.00 -0.00 0.00 0.00 62.75 59.18 2nnz n ILE 93 Cb 1.37 0.10 0.00 0.00 -0.00 0.00 0.00 39.64 41.12 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 -0.04 0.00 0.00 4.38 7.64 -0.06 -4.21 113.62 121.32 2nnz n SER 94 Ca 0.18 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.76 2nnz n SER 94 Cb 0.74 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 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 -1.35 0.00 0.00 6.43 8.00 -1.26 0.61 116.55 128.98 2nnz n ASP 95 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2nnz n ASP 95 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2nnz n ASP 95 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2nnz n ASP 96 N 2.87 0.90 -1.05 -2.24 9.92 -1.26 -5.08 116.55 120.60 2nnz n ASP 96 Ca 0.00 -1.24 -0.00 0.00 -0.53 0.00 0.00 54.79 53.02 2nnz n ASP 96 Cb 0.00 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2nnz n ASP 96 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2nnz n LYS 97 N -0.12 0.02 -4.00 -1.24 5.02 0.20 -5.15 118.16 112.89 2nnz n LYS 97 Ca 0.00 -0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 55.91 2nnz n LYS 97 Cb 0.18 0.07 -0.15 0.00 -0.02 0.00 0.00 35.03 35.10 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 -2.50 1.81 -0.42 -0.18 1.01 -1.26 -4.03 121.20 115.63 2nnz s ILE 98 Ca 0.01 -1.37 -0.03 0.00 0.00 0.00 0.00 60.65 59.26 2nnz s ILE 98 Cb -0.00 -1.99 0.11 0.00 0.01 0.00 0.00 42.46 40.59 2nnz s ILE 98 CO 0.01 -0.04 0.21 -0.13 0.00 0.00 0.00 174.94 174.99 2nnz s ARG 99 N 1.27 2.01 0.34 2.79 3.00 -1.26 -4.68 118.95 122.43 2nnz s ARG 99 Ca -0.07 -1.88 0.11 0.00 0.00 0.00 0.00 55.73 53.90 2nnz s ARG 99 Cb -0.19 -3.58 0.62 0.00 0.00 0.00 0.00 34.95 31.80 2nnz s ARG 99 CO -0.06 -1.08 1.78 -1.00 0.00 0.00 0.00 175.30 174.94 2nnz h PRO 100 N 7.96 0.06 0.00 3.54 0.13 -1.97 -3.37 132.00 138.35 2nnz h PRO 100 Ca -0.12 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2nnz h PRO 100 Cb 1.04 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2nnz h PRO 100 CO 0.69 0.45 0.00 0.00 -0.23 0.00 0.00 178.00 178.92 2nnz n ALA 101 N -2.47 0.00 0.58 -0.56 0.00 -1.26 -4.91 120.51 111.90 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 0.44 0.00 -0.00 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 0.03 1.39 -2.68 0.00 3.41 -1.26 -4.77 113.62 109.75 2nnz n SER 102 Ca 0.00 -1.20 -0.04 0.00 -0.26 0.00 0.00 58.87 57.37 2nnz n SER 102 Cb 0.00 0.48 0.05 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.22 -3.41 -2.40 7.33 0.00 -1.26 -4.73 120.51 115.83 2nnz n ALA 103 Ca 0.05 -0.27 -0.28 0.00 0.00 0.00 0.00 53.44 52.94 2nnz n ALA 103 Cb 0.27 -3.02 -0.15 0.00 0.00 0.00 0.00 19.45 16.55 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 0.56 1.81 0.44 0.00 -7.23 0.97 -3.83 120.40 113.12 2nnz s VAL 104 Ca 0.26 -1.10 -0.16 0.00 -1.81 0.00 0.00 61.98 59.17 2nnz s VAL 104 Cb 0.16 -1.53 -0.08 0.00 0.56 0.00 0.00 36.38 35.49 2nnz s VAL 104 CO -0.10 0.40 0.89 0.20 -0.31 0.00 0.00 175.10 176.19 2nnz s ASN 105 N -0.82 6.70 -0.98 4.85 0.02 -0.98 0.47 114.94 124.20 2nnz s ASN 105 Ca 0.09 1.46 -0.21 0.00 -1.02 0.00 0.00 52.86 53.18 2nnz s ASN 105 Cb -0.09 -2.46 0.08 0.00 0.02 0.00 0.00 41.25 38.80 2nnz s ASN 105 CO 0.00 -0.44 1.33 -0.69 0.02 0.00 0.00 177.10 177.32 2nnz s VAL 106 N -2.37 4.22 -1.03 1.60 1.01 -1.26 -0.63 120.40 121.94 2nnz s VAL 106 Ca 0.57 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2nnz s VAL 106 Cb -0.10 -4.95 0.00 0.00 0.00 0.00 0.00 36.38 31.33 2nnz s VAL 106 CO 0.25 -1.78 0.41 0.00 0.00 0.00 0.00 175.10 173.98 2nnz n ILE 107 N 6.36 0.00 0.00 2.22 0.00 -0.56 -4.65 119.36 122.73 2nnz n ILE 107 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 62.75 63.04 2nnz n ILE 107 Cb 0.50 -0.39 0.00 0.00 0.00 0.00 0.00 39.64 39.75 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 0.11 0.19 3.41 4.50 0.00 -1.16 -4.06 105.19 108.18 2nnz n GLY 108 Ca 0.00 -1.97 -0.10 0.00 0.00 0.00 0.00 46.02 43.95 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 1.22 -0.34 1.61 0.52 -1.24 0.24 118.95 120.96 2nnz s ARG 109 Ca 0.00 -0.99 -0.18 0.00 -0.52 0.00 0.00 55.73 54.05 2nnz s ARG 109 Cb 0.00 0.44 -0.01 0.00 0.52 0.00 0.00 34.95 35.91 2nnz s ARG 109 CO 0.00 -0.48 0.50 0.42 0.02 0.00 0.00 175.30 175.76 2nnz s ILE 110 N -3.91 5.04 0.00 1.52 1.09 -1.22 -1.95 121.20 121.77 2nnz s ILE 110 Ca 0.12 0.40 0.00 0.00 -1.10 0.00 0.00 60.65 60.06 2nnz s ILE 110 Cb 0.01 -3.93 0.00 0.00 -1.06 0.00 0.00 42.46 37.49 2nnz s ILE 110 CO -0.03 -0.16 0.53 1.33 -0.10 0.00 0.00 174.94 176.51 2nnz n VAL 111 N 5.37 0.00 -3.22 2.92 0.24 -1.15 -5.01 118.33 117.47 2nnz n VAL 111 Ca -0.05 1.03 0.00 0.00 -2.04 0.00 0.00 64.34 63.28 2nnz n VAL 111 Cb 0.49 -1.98 0.00 0.00 -1.47 0.00 0.00 33.84 30.88 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 -0.64 0.00 -2.04 -1.34 6.94 -1.26 -5.02 115.26 111.90 2nnz n ASN 112 Ca 0.00 -0.76 -0.00 0.00 -0.02 0.00 0.00 54.58 53.80 2nnz n ASN 112 Cb 0.00 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2nnz n ASN 112 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 2nnz n SER 113 N -0.40 -4.52 -3.71 0.53 2.88 -1.26 -4.25 113.62 102.88 2nnz n SER 113 Ca 0.00 0.64 -0.24 0.00 -1.33 0.00 0.00 58.87 57.95 2nnz n SER 113 Cb 0.00 -2.95 0.05 0.00 -0.75 0.00 0.00 64.21 60.56 2nnz n SER 113 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2nnz n MET 114 N 0.34 -5.81 0.00 -1.46 2.81 -1.25 -3.96 117.12 107.78 2nnz n MET 114 Ca -0.01 0.68 0.11 0.00 -1.81 0.00 0.00 57.70 56.67 2nnz n MET 114 Cb 0.02 -5.48 0.56 0.00 -0.71 0.00 0.00 33.22 27.61 2nnz n MET 114 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2nnz n GLU 115 N -4.49 0.25 -1.14 0.03 0.28 -1.26 -3.82 120.64 110.50 2nnz n GLU 115 Ca -0.15 0.08 -0.19 0.00 -0.16 0.00 0.00 57.16 56.73 2nnz n GLU 115 Cb 0.61 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.95 2nnz n GLU 115 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2nnz n GLY 116 N 0.72 3.97 0.60 -1.84 0.00 -1.26 -4.66 105.19 102.71 2nnz n GLY 116 Ca 0.10 -1.39 0.44 0.00 0.00 0.00 0.00 46.02 45.17 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 3.49 0.07 -0.37 0.99 5.85 -1.92 -0.93 115.31 122.50 2nnz h LEU 117 Ca 0.30 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.06 2nnz h LEU 117 Cb 0.91 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2nnz h LEU 117 CO 0.69 -0.04 0.84 0.07 -0.34 0.00 0.00 178.44 179.66 2nnz h LYS 118 N 0.03 0.00 -0.94 1.25 5.09 -1.83 0.20 116.57 120.38 2nnz h LYS 118 Ca 0.81 0.00 -0.22 0.00 0.09 0.00 0.00 60.65 61.33 2nnz h LYS 118 Cb 3.06 0.00 -0.13 0.00 0.10 0.00 0.00 32.23 35.26 2nnz h LYS 118 CO -0.12 0.00 0.28 0.41 -2.09 0.00 0.00 179.45 177.93 2nnz n GLY 119 N -1.42 3.16 3.85 0.07 0.00 -0.35 -4.77 105.19 105.72 2nnz n GLY 119 Ca -0.00 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.93 4.58 0.43 1.61 -7.23 0.68 -5.05 120.40 113.49 2nnz s VAL 120 Ca 0.33 1.10 -0.22 0.00 -1.81 0.00 0.00 61.98 61.37 2nnz s VAL 120 Cb 0.27 -3.71 -0.10 0.00 0.56 0.00 0.00 36.38 33.40 2nnz s VAL 120 CO 0.07 -0.60 0.99 0.00 -0.31 0.00 0.00 175.10 175.25 2nnz s ALA 121 N -2.51 3.02 -0.47 1.32 0.00 -1.26 -4.91 121.76 116.95 2nnz s ALA 121 Ca 0.57 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 2nnz s ALA 121 Cb -0.10 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 2nnz s ALA 121 CO 0.29 -0.06 2.35 -0.40 0.00 0.00 0.00 175.76 177.94 2nnz n ASP 122 N -0.49 2.10 -1.27 0.00 5.75 -1.26 -4.18 116.55 117.19 2nnz n ASP 122 Ca 0.07 0.03 -0.00 0.00 -0.01 0.00 0.00 54.79 54.88 2nnz n ASP 122 Cb 0.52 -1.37 -0.00 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 6.24 -3.41 3.48 6.12 0.00 -1.26 -4.94 105.19 111.42 2nnz n GLY 123 Ca 0.42 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2nnz n GLY 123 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2nnz s GLU 124 N -1.72 0.67 0.63 1.61 1.03 -1.23 -5.01 118.70 114.67 2nnz s GLU 124 Ca -0.00 0.84 -0.18 0.00 0.03 0.00 0.00 54.97 55.66 2nnz s GLU 124 Cb 0.00 0.30 -0.15 0.00 -0.80 0.00 0.00 34.13 33.48 2nnz s GLU 124 CO 0.00 -0.09 -0.30 0.43 -1.33 0.00 0.00 175.26 173.97 2nnz n SER 125 N 2.96 -4.25 -3.73 0.83 7.64 -1.26 -2.92 113.62 112.89 2nnz n SER 125 Ca -0.15 0.53 -0.14 0.00 1.01 0.00 0.00 58.87 60.12 2nnz n SER 125 Cb 0.56 -0.82 -0.14 0.00 -1.01 0.00 0.00 64.21 62.80 2nnz n SER 125 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2nnz s VAL 126 N -1.98 -0.09 -0.26 0.44 1.01 0.20 -4.31 120.40 115.41 2nnz s VAL 126 Ca 0.52 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.71 2nnz s VAL 126 Cb -0.41 -0.30 0.07 0.00 0.00 0.00 0.00 36.38 35.74 2nnz s VAL 126 CO 0.70 0.08 -0.03 0.68 0.00 0.00 0.00 175.10 176.53 2nnz s VAL 127 N 1.41 1.66 -0.06 2.92 -7.23 -1.25 0.13 120.40 117.98 2nnz s VAL 127 Ca -0.07 -1.49 -0.27 0.00 -1.81 0.00 0.00 61.98 58.34 2nnz s VAL 127 Cb -0.11 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 2nnz s VAL 127 CO -0.07 -0.24 0.87 -0.69 -0.31 0.00 0.00 175.10 174.66 2nnz s VAL 128 N 1.30 4.92 -0.18 1.32 1.01 -0.78 -3.86 120.40 124.13 2nnz s VAL 128 Ca -0.02 1.79 -0.10 0.00 0.00 0.00 0.00 61.98 63.65 2nnz s VAL 128 Cb -0.19 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.05 2nnz s VAL 128 CO -0.08 0.15 0.44 -1.83 0.00 0.00 0.00 175.10 173.77 2nnz s GLU 129 N 1.26 0.43 -0.85 2.72 -1.05 -0.72 -1.15 118.70 119.34 2nnz s GLU 129 Ca 0.45 0.83 -0.25 0.00 -0.15 0.00 0.00 54.97 55.85 2nnz s GLU 129 Cb -0.19 0.00 0.00 0.00 -0.44 0.00 0.00 34.13 33.50 2nnz s GLU 129 CO 0.21 -0.15 1.66 0.50 0.95 0.00 0.00 175.26 178.42 2nnz s ARG 130 N 1.39 3.00 0.00 -4.83 3.00 -1.26 0.10 118.95 120.36 2nnz s ARG 130 Ca -0.09 -0.36 0.00 0.00 -1.00 0.00 0.00 55.73 54.28 2nnz s ARG 130 Cb -0.08 -4.86 0.00 0.00 0.00 0.00 0.00 34.95 30.01 2nnz s ARG 130 CO -0.13 -2.67 0.00 0.00 0.00 0.00 0.00 175.30 172.50