#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j22 s LYS 6 N 0.00 3.23 -0.01 7.34 1.02 -1.26 -0.72 119.74 129.34 1j22 s LYS 6 Ca 0.00 -0.61 0.02 0.00 0.02 0.00 0.00 55.97 55.39 1j22 s LYS 6 Cb 0.00 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 1j22 s LYS 6 CO 0.00 0.36 -0.06 0.08 -0.92 0.00 0.00 175.35 174.81 1j22 s VAL 7 N -0.01 0.55 -0.14 3.17 1.01 -0.65 -4.90 120.40 119.43 1j22 s VAL 7 Ca -0.02 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 1j22 s VAL 7 Cb -0.14 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 1j22 s VAL 7 CO 0.03 0.17 0.42 -0.69 0.00 0.00 0.00 175.10 175.03 1j22 s VAL 8 N 0.07 5.23 -0.03 2.92 1.01 -0.87 -1.50 120.40 127.21 1j22 s VAL 8 Ca -0.01 0.82 0.06 0.00 0.00 0.00 0.00 61.98 62.85 1j22 s VAL 8 Cb -0.05 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1j22 s VAL 8 CO -0.00 0.34 -0.23 0.54 0.00 0.00 0.00 175.10 175.75 1j22 s VAL 9 N 0.63 1.86 0.29 2.92 0.11 0.12 -0.24 120.40 126.08 1j22 s VAL 9 Ca 0.23 -0.98 -0.29 0.00 -2.93 0.00 0.00 61.98 58.00 1j22 s VAL 9 Cb -0.14 -1.56 -0.10 0.00 -1.53 0.00 0.00 36.38 33.05 1j22 s VAL 9 CO 0.08 0.52 1.27 -0.62 -3.33 0.00 0.00 175.10 173.02 1j22 s ASP 10 N -0.34 6.90 0.39 3.54 -1.08 -0.24 -1.68 116.67 124.17 1j22 s ASP 10 Ca 0.03 2.54 0.20 0.00 -0.52 0.00 0.00 52.55 54.80 1j22 s ASP 10 Cb -0.11 -2.64 1.16 0.00 -1.46 0.00 0.00 42.92 39.88 1j22 s ASP 10 CO 0.01 -0.45 1.71 0.77 0.52 0.00 0.00 175.17 177.73 1j22 h SER 11 N 3.94 0.43 0.25 -0.34 4.64 -0.71 0.44 113.55 122.19 1j22 h SER 11 Ca -0.47 0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1j22 h SER 11 Cb 1.22 0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1j22 h SER 11 CO 0.69 -0.02 -0.01 0.03 -0.87 0.00 0.00 176.83 176.65 1j22 h ARG 12 N 0.32 0.00 0.00 4.77 -0.00 -1.91 -2.30 114.38 115.27 1j22 h ARG 12 Ca 0.68 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.16 1j22 h ARG 12 Cb 1.78 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.75 1j22 h ARG 12 CO -0.40 0.01 -1.03 0.39 0.00 0.00 0.00 179.97 178.94 1j22 n GLU 13 N -3.14 0.15 -0.34 0.04 -0.58 0.14 -4.66 120.64 112.25 1j22 n GLU 13 Ca -0.02 -0.02 0.14 0.00 -0.42 0.00 0.00 57.16 56.84 1j22 n GLU 13 Cb 0.13 -1.53 0.28 0.00 -0.57 0.00 0.00 31.44 29.75 1j22 n GLU 13 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1j22 n LEU 14 N -1.71 -0.13 -1.77 -4.62 7.94 -0.87 -0.90 117.00 114.95 1j22 n LEU 14 Ca 0.03 1.66 0.07 0.00 -1.11 0.00 0.00 56.01 56.66 1j22 n LEU 14 Cb 0.39 -0.60 0.38 0.00 0.53 0.00 0.00 43.42 44.11 1j22 n LEU 14 CO 0.41 -1.68 0.83 0.54 -1.11 0.00 0.00 177.39 176.38 1j22 n ARG 15 N -5.47 4.50 -1.83 1.96 1.74 -1.26 -4.78 116.66 111.51 1j22 n ARG 15 Ca 0.22 -2.93 -0.30 0.00 -0.77 0.00 0.00 57.85 54.08 1j22 n ARG 15 Cb 0.73 -2.16 0.06 0.00 -1.02 0.00 0.00 32.46 30.07 1j22 n ARG 15 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1j22 s SER 16 N -0.75 5.15 0.51 0.55 1.04 -0.07 -4.95 113.70 115.18 1j22 s SER 16 Ca 0.51 1.11 0.31 0.00 0.48 0.00 0.00 55.95 58.36 1j22 s SER 16 Cb 0.38 -1.85 1.14 0.00 0.10 0.00 0.00 66.02 65.79 1j22 s SER 16 CO 0.16 -1.53 1.89 -0.33 0.98 0.00 0.00 173.24 174.42 1j22 h GLU 17 N -0.78 0.00 -0.15 4.02 4.39 -1.93 -2.69 114.58 117.43 1j22 h GLU 17 Ca -0.45 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.21 1j22 h GLU 17 Cb 1.27 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1j22 h GLU 17 CO 0.63 0.00 -0.04 0.28 -1.16 0.00 0.00 179.01 178.72 1j22 h VAL 18 N 0.00 1.29 -0.73 3.13 2.07 -1.90 -2.06 116.25 118.05 1j22 h VAL 18 Ca 0.00 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 1j22 h VAL 18 Cb 0.60 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 1j22 h VAL 18 CO 0.00 0.30 0.31 0.58 0.02 0.00 0.00 177.57 178.78 1j22 h VAL 19 N -0.02 1.24 -0.42 2.57 2.07 -1.75 -0.28 116.25 119.66 1j22 h VAL 19 Ca 0.04 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.84 1j22 h VAL 19 Cb 0.48 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1j22 h VAL 19 CO 0.02 0.30 0.28 0.50 0.02 0.00 0.00 177.57 178.68 1j22 h LYS 20 N 1.04 0.55 -0.48 1.57 3.64 -1.34 -0.56 116.57 120.99 1j22 h LYS 20 Ca 0.25 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 1j22 h LYS 20 Cb 0.16 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1j22 h LYS 20 CO -0.03 0.36 -0.17 -0.09 -2.27 0.00 0.00 179.45 177.25 1j22 h ARG 21 N 0.56 0.95 -0.86 1.90 9.65 -0.98 -1.69 114.38 123.92 1j22 h ARG 21 Ca 0.15 -0.38 0.03 0.00 -1.10 0.00 0.00 59.98 58.69 1j22 h ARG 21 Cb -0.06 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.42 1j22 h ARG 21 CO -0.04 1.04 0.55 -0.07 2.80 0.00 0.00 179.97 184.26 1j22 h LEU 22 N 0.83 0.91 -0.65 3.80 3.38 -0.68 -0.09 115.31 122.81 1j22 h LEU 22 Ca 0.12 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1j22 h LEU 22 Cb 0.73 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1j22 h LEU 22 CO 0.06 0.62 -0.03 0.11 0.09 0.00 0.00 178.44 179.30 1j22 h LYS 23 N 1.07 1.02 -0.23 1.13 1.57 -0.84 -1.31 116.57 118.98 1j22 h LYS 23 Ca 0.34 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1j22 h LYS 23 Cb 0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1j22 h LYS 23 CO -0.12 1.02 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.65 1j22 h LEU 24 N 0.93 0.34 0.00 2.94 3.38 -0.51 -1.44 115.31 120.96 1j22 h LEU 24 Ca 0.16 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1j22 h LEU 24 Cb 0.57 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1j22 h LEU 24 CO 0.03 0.45 0.00 0.18 0.09 0.00 0.00 178.44 179.20 1j22 n LEU 25 N -4.29 0.00 0.00 1.67 4.77 -0.12 -4.89 117.00 114.14 1j22 n LEU 25 Ca 0.00 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1j22 n LEU 25 Cb 0.25 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1j22 n LEU 25 CO 0.38 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1j22 n GLY 26 N 0.77 0.78 3.75 -0.72 0.00 -0.54 -5.02 105.19 104.22 1j22 n GLY 26 Ca 0.12 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1j22 n GLY 26 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j22 s VAL 27 N -2.00 3.33 -0.40 1.61 1.01 -0.53 -4.43 120.40 119.00 1j22 s VAL 27 Ca 0.00 1.27 -0.17 0.00 0.00 0.00 0.00 61.98 63.08 1j22 s VAL 27 Cb 0.00 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1j22 s VAL 27 CO 0.00 0.27 0.43 -0.54 0.00 0.00 0.00 175.10 175.26 1j22 s LYS 28 N -1.15 3.26 -0.11 2.72 -0.14 0.10 -4.53 119.74 119.90 1j22 s LYS 28 Ca 0.48 -0.61 -0.11 0.00 -1.36 0.00 0.00 55.97 54.37 1j22 s LYS 28 Cb -0.34 -3.91 -0.05 0.00 -1.68 0.00 0.00 37.83 31.85 1j22 s LYS 28 CO 0.42 -0.76 0.25 -0.51 -0.76 0.00 0.00 175.35 173.99 1j22 s LEU 29 N 2.15 4.35 -0.19 3.17 1.43 -1.26 -1.64 118.68 126.69 1j22 s LEU 29 Ca 0.13 0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 53.80 1j22 s LEU 29 Cb -0.17 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.77 1j22 s LEU 29 CO 0.13 0.28 -0.11 -0.70 0.23 0.00 0.00 176.35 176.18 1j22 s GLU 30 N -0.50 3.23 0.03 1.70 2.12 -0.56 -4.98 118.70 119.74 1j22 s GLU 30 Ca 0.17 -0.71 -0.21 0.00 0.36 0.00 0.00 54.97 54.58 1j22 s GLU 30 Cb -0.13 -2.79 -0.06 0.00 0.26 0.00 0.00 34.13 31.41 1j22 s GLU 30 CO 0.06 -0.14 0.61 0.08 -0.54 0.00 0.00 175.26 175.33 1j22 s VAL 31 N 1.24 4.83 0.15 3.70 1.01 -1.26 -0.71 120.40 129.36 1j22 s VAL 31 Ca 0.03 1.28 -0.08 0.00 0.00 0.00 0.00 61.98 63.21 1j22 s VAL 31 Cb -0.14 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 1j22 s VAL 31 CO -0.05 0.46 0.26 -0.54 0.00 0.00 0.00 175.10 175.22 1j22 s LYS 32 N -0.48 1.11 -0.42 2.72 1.02 -0.67 -4.93 119.74 118.08 1j22 s LYS 32 Ca 0.31 -1.17 -0.08 0.00 0.02 0.00 0.00 55.97 55.05 1j22 s LYS 32 Cb -0.19 0.36 0.09 0.00 -0.52 0.00 0.00 37.83 37.57 1j22 s LYS 32 CO 0.18 -0.39 0.25 0.99 -0.92 0.00 0.00 175.35 175.46 1j22 s THR 33 N -3.96 4.01 0.01 2.17 2.01 -1.26 0.08 115.64 118.69 1j22 s THR 33 Ca 0.16 -1.57 -0.15 0.00 0.31 0.00 0.00 61.69 60.44 1j22 s THR 33 Cb 0.04 -3.52 -0.06 0.00 0.01 0.00 0.00 72.50 68.97 1j22 s THR 33 CO -0.01 -0.56 0.43 -0.76 -0.69 0.00 0.00 174.62 173.03 1j22 s LEU 34 N 1.36 4.48 0.45 4.42 1.43 -1.26 -4.97 118.68 124.59 1j22 s LEU 34 Ca 0.04 1.01 0.28 0.00 -1.03 0.00 0.00 54.13 54.42 1j22 s LEU 34 Cb -0.23 -2.63 0.85 0.00 0.03 0.00 0.00 46.19 44.20 1j22 s LEU 34 CO 0.00 0.31 1.79 0.44 0.23 0.00 0.00 176.35 179.12 1j22 h ASP 35 N 4.71 0.00 -3.80 2.29 3.32 -2.05 -3.44 116.42 117.45 1j22 h ASP 35 Ca -0.51 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.49 1j22 h ASP 35 Cb 1.22 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.55 1j22 h ASP 35 CO 0.62 0.00 0.01 0.54 -1.72 0.00 0.00 179.24 178.69 1j22 s VAL 36 N -3.40 -0.00 0.00 -1.35 0.11 -1.26 -5.13 120.40 109.37 1j22 s VAL 36 Ca 0.05 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 1j22 s VAL 36 Cb 0.08 -0.89 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 1j22 s VAL 36 CO 0.59 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.97 1j22 n GLY 37 N 3.03 1.41 0.05 6.54 0.00 -1.26 -4.99 105.19 109.98 1j22 n GLY 37 Ca -0.15 -1.72 -0.06 0.00 0.00 0.00 0.00 46.02 44.10 1j22 n GLY 37 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j22 n ASP 38 N -0.26 3.04 -3.74 1.61 8.00 -0.05 -4.73 116.55 120.42 1j22 n ASP 38 Ca 0.00 -0.03 -0.22 0.00 0.71 0.00 0.00 54.79 55.25 1j22 n ASP 38 Cb 0.00 0.31 -0.18 0.00 -0.02 0.00 0.00 41.12 41.23 1j22 n ASP 38 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1j22 s TYR 39 N -2.21 0.51 -0.23 1.24 2.02 -0.75 -1.08 117.35 116.86 1j22 s TYR 39 Ca -0.09 -0.09 -0.09 0.00 -0.37 0.00 0.00 57.07 56.43 1j22 s TYR 39 Cb 0.03 -0.72 -0.04 0.00 -0.40 0.00 0.00 41.96 40.82 1j22 s TYR 39 CO 0.30 -0.31 0.12 0.42 -1.57 0.00 0.00 175.55 174.51 1j22 s ILE 40 N 2.03 5.01 -0.17 2.71 -1.09 0.66 -0.09 121.20 130.25 1j22 s ILE 40 Ca 0.05 0.05 -0.03 0.00 -2.23 0.00 0.00 60.65 58.50 1j22 s ILE 40 Cb -0.12 -3.32 -0.23 0.00 -1.58 0.00 0.00 42.46 37.21 1j22 s ILE 40 CO -0.05 0.37 0.15 -0.38 -1.23 0.00 0.00 174.94 173.80 1j22 n ILE 41 N 4.21 1.66 -3.77 2.92 2.08 0.48 -2.06 119.36 124.88 1j22 n ILE 41 Ca -0.16 -0.63 -0.09 0.00 0.56 0.00 0.00 62.75 62.43 1j22 n ILE 41 Cb 0.52 -1.58 0.01 0.00 -0.75 0.00 0.00 39.64 37.84 1j22 n ILE 41 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1j22 n SER 42 N -3.37 -1.66 0.31 4.38 3.41 -0.85 -4.93 113.62 110.91 1j22 n SER 42 Ca -0.37 -2.43 0.18 0.00 -0.26 0.00 0.00 58.87 55.99 1j22 n SER 42 Cb 1.03 2.85 1.03 0.00 -0.26 0.00 0.00 64.21 68.86 1j22 n SER 42 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1j22 h GLU 43 N 0.00 0.00 0.00 4.33 5.08 -2.02 -3.07 114.58 118.91 1j22 h GLU 43 Ca -0.26 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.93 1j22 h GLU 43 Cb 1.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1j22 h GLU 43 CO 0.34 0.00 -1.67 -0.25 -1.00 0.00 0.00 179.01 176.44 1j22 n ASP 44 N -3.54 2.55 -4.60 1.42 8.00 -1.26 -4.72 116.55 114.40 1j22 n ASP 44 Ca -0.03 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.10 1j22 n ASP 44 Cb 0.09 0.81 -0.11 0.00 -0.02 0.00 0.00 41.12 41.90 1j22 n ASP 44 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1j22 s VAL 45 N -2.28 5.25 0.01 2.53 1.01 -1.16 -0.83 120.40 124.93 1j22 s VAL 45 Ca -0.05 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1j22 s VAL 45 Cb 0.03 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1j22 s VAL 45 CO 0.41 0.29 -0.08 0.00 0.00 0.00 0.00 175.10 175.72 1j22 s ALA 46 N 1.53 0.64 -0.10 5.51 0.00 -1.20 -0.39 121.76 127.75 1j22 s ALA 46 Ca 0.07 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.57 1j22 s ALA 46 Cb -0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 1j22 s ALA 46 CO 0.09 0.11 -0.16 0.42 0.00 0.00 0.00 175.76 176.21 1j22 s ILE 47 N -0.57 2.84 -0.22 0.00 1.01 0.87 -0.35 121.20 124.78 1j22 s ILE 47 Ca -0.01 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 1j22 s ILE 47 Cb -0.05 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 1j22 s ILE 47 CO 0.00 0.55 -0.02 -0.70 0.00 0.00 0.00 174.94 174.78 1j22 s GLU 48 N 0.00 3.49 -0.21 2.79 2.56 0.26 -0.87 118.70 126.72 1j22 s GLU 48 Ca -0.05 -0.57 -0.13 0.00 0.00 0.00 0.00 54.97 54.21 1j22 s GLU 48 Cb -0.14 -3.07 -0.04 0.00 2.00 0.00 0.00 34.13 32.88 1j22 s GLU 48 CO 0.04 -0.12 0.29 0.50 -0.56 0.00 0.00 175.26 175.41 1j22 s ARG 49 N 1.32 4.14 -0.03 4.30 3.52 -1.26 -0.72 118.95 130.21 1j22 s ARG 49 Ca 0.04 -0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.64 1j22 s ARG 49 Cb -0.14 -3.52 0.03 0.00 -1.56 0.00 0.00 34.95 29.75 1j22 s ARG 49 CO -0.00 0.03 0.00 0.21 -0.81 0.00 0.00 175.30 174.73 1j22 s LYS 50 N 1.11 0.29 0.66 5.12 2.20 -0.47 -4.97 119.74 123.68 1j22 s LYS 50 Ca 0.14 0.09 -0.15 0.00 -0.36 0.00 0.00 55.97 55.69 1j22 s LYS 50 Cb -0.14 -0.49 -0.00 0.00 -1.51 0.00 0.00 37.83 35.69 1j22 s LYS 50 CO 0.06 -0.15 1.10 -1.54 -0.36 0.00 0.00 175.35 174.46 1j22 s SER 51 N 1.09 5.16 0.25 1.43 1.04 -1.26 -0.73 113.70 120.68 1j22 s SER 51 Ca -0.09 1.95 -0.05 0.00 0.48 0.00 0.00 55.95 58.25 1j22 s SER 51 Cb -0.13 -2.55 0.34 0.00 0.10 0.00 0.00 66.02 63.78 1j22 s SER 51 CO -0.02 -1.59 1.88 0.00 0.98 0.00 0.00 173.24 174.49 1j22 h ALA 52 N -0.02 1.26 -0.58 5.32 0.00 -1.11 -0.22 119.26 123.92 1j22 h ALA 52 Ca -0.46 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1j22 h ALA 52 Cb 1.24 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1j22 h ALA 52 CO 0.54 0.41 0.29 -0.97 0.00 0.00 0.00 179.25 179.52 1j22 h ASN 53 N 1.11 0.75 0.38 0.00 -0.73 -1.88 -1.37 115.58 113.84 1j22 h ASN 53 Ca 0.39 -0.12 -0.10 0.00 1.87 0.00 0.00 56.30 58.34 1j22 h ASN 53 Cb 0.10 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 1j22 h ASN 53 CO -0.15 0.65 -0.44 0.44 -0.37 0.00 0.00 177.43 177.56 1j22 h ASP 54 N 0.79 0.08 -0.06 1.15 3.32 -1.73 -1.06 116.42 118.90 1j22 h ASP 54 Ca 0.20 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1j22 h ASP 54 Cb 0.09 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1j22 h ASP 54 CO -0.03 0.51 0.01 0.25 -1.72 0.00 0.00 179.24 178.27 1j22 h LEU 55 N 0.07 0.09 -0.84 1.55 5.85 -0.61 -0.87 115.31 120.55 1j22 h LEU 55 Ca 0.00 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.50 1j22 h LEU 55 Cb 0.80 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1j22 h LEU 55 CO 0.06 0.30 0.56 0.40 -0.34 0.00 0.00 178.44 179.42 1j22 h ILE 56 N -0.12 1.21 -0.79 4.05 2.04 -1.06 -1.65 117.51 121.19 1j22 h ILE 56 Ca 0.02 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 1j22 h ILE 56 Cb 0.24 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.27 1j22 h ILE 56 CO 0.00 0.21 0.35 -0.61 0.00 0.00 0.00 178.15 178.09 1j22 h GLN 57 N 1.14 1.16 0.00 2.37 5.75 -1.01 -0.21 115.11 124.30 1j22 h GLN 57 Ca 0.31 -0.19 -0.04 0.00 -0.15 0.00 0.00 58.65 58.57 1j22 h GLN 57 Cb -0.13 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.22 1j22 h GLN 57 CO -0.07 0.92 -0.20 0.66 -2.65 0.00 0.00 178.83 177.49 1j22 h SER 58 N 1.13 0.00 -0.01 -0.69 4.64 -0.57 0.37 113.55 118.41 1j22 h SER 58 Ca 0.27 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.42 1j22 h SER 58 Cb 0.17 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1j22 h SER 58 CO -0.03 0.20 -0.65 0.40 -0.87 0.00 0.00 176.83 175.89 1j22 h ILE 59 N 0.00 1.41 -0.62 0.95 2.04 -0.41 0.14 117.51 121.01 1j22 h ILE 59 Ca -0.00 -2.08 0.02 0.00 1.00 0.00 0.00 64.86 63.79 1j22 h ILE 59 Cb 0.48 2.55 -0.04 0.00 -0.74 0.00 0.00 36.82 39.07 1j22 h ILE 59 CO 0.03 0.61 0.40 0.40 0.00 0.00 0.00 178.15 179.58 1j22 h ILE 60 N -0.03 1.11 -0.01 -0.67 2.04 -0.46 -2.43 117.51 117.05 1j22 h ILE 60 Ca -0.08 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1j22 h ILE 60 Cb 1.35 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1j22 h ILE 60 CO 0.13 0.14 -0.00 0.47 0.00 0.00 0.00 178.15 178.89 1j22 n ASP 61 N -4.69 1.17 -1.93 1.72 8.00 0.06 -4.94 116.55 115.95 1j22 n ASP 61 Ca 0.05 -1.39 -0.16 0.00 0.71 0.00 0.00 54.79 54.00 1j22 n ASP 61 Cb 0.06 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1j22 n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j22 n GLY 62 N 1.14 -0.29 0.34 0.44 0.00 -0.60 -4.91 105.19 101.30 1j22 n GLY 62 Ca 0.20 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1j22 n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j22 n GLY 63 N -1.06 -0.09 0.09 -0.02 0.00 0.39 -4.65 105.19 99.84 1j22 n GLY 63 Ca -0.18 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 1j22 n GLY 63 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1j22 h LEU 64 N 1.67 -0.06 -1.29 0.99 5.85 -1.86 -2.53 115.31 118.09 1j22 h LEU 64 Ca 0.00 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1j22 h LEU 64 Cb 0.56 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1j22 h LEU 64 CO 0.00 -0.01 0.13 -0.26 -0.34 0.00 0.00 178.44 177.96 1j22 h PHE 65 N 0.05 0.62 -0.73 1.25 0.04 -1.90 -0.80 116.94 115.48 1j22 h PHE 65 Ca 0.07 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.74 1j22 h PHE 65 Cb 0.09 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.02 1j22 h PHE 65 CO -0.15 0.52 0.21 -0.44 -0.60 0.00 0.00 178.31 177.84 1j22 h ASP 66 N 0.61 1.08 -0.58 2.17 3.32 -1.82 -0.34 116.42 120.87 1j22 h ASP 66 Ca 0.14 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 1j22 h ASP 66 Cb 0.19 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1j22 h ASP 66 CO -0.01 1.02 0.16 1.56 -1.72 0.00 0.00 179.24 180.24 1j22 h GLN 67 N 1.10 0.92 -0.55 3.56 4.20 -0.85 -1.19 115.11 122.30 1j22 h GLN 67 Ca 0.23 -0.21 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 1j22 h GLN 67 Cb 0.34 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1j22 h GLN 67 CO -0.00 0.84 -0.05 0.28 -0.67 0.00 0.00 178.83 179.23 1j22 h VAL 68 N 0.83 1.27 -0.47 -0.54 2.07 -0.94 -1.77 116.25 116.70 1j22 h VAL 68 Ca 0.18 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.54 1j22 h VAL 68 Cb 0.33 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1j22 h VAL 68 CO -0.00 0.42 0.28 0.50 0.02 0.00 0.00 177.57 178.79 1j22 h LYS 69 N 0.88 0.53 -0.93 1.57 3.64 -0.81 -0.93 116.57 120.52 1j22 h LYS 69 Ca 0.15 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1j22 h LYS 69 Cb 0.61 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 1j22 h LYS 69 CO 0.04 0.35 0.56 -0.09 -2.27 0.00 0.00 179.45 178.04 1j22 h ARG 70 N 0.55 1.27 -0.27 1.90 2.43 -0.97 -1.22 114.38 118.07 1j22 h ARG 70 Ca 0.19 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1j22 h ARG 70 Cb 0.03 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 1j22 h ARG 70 CO -0.09 0.89 0.03 -0.07 -1.51 0.00 0.00 179.97 179.22 1j22 h LEU 71 N 1.29 0.43 -1.29 3.80 3.38 -0.77 -2.76 115.31 119.39 1j22 h LEU 71 Ca 0.33 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1j22 h LEU 71 Cb -0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1j22 h LEU 71 CO -0.06 0.60 -0.11 0.11 0.09 0.00 0.00 178.44 179.07 1j22 h LYS 72 N 0.26 0.36 0.00 1.13 1.57 -0.88 -0.54 116.57 118.46 1j22 h LYS 72 Ca 0.08 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1j22 h LYS 72 Cb 0.35 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 1j22 h LYS 72 CO 0.01 0.47 -0.00 0.93 -0.57 0.00 0.00 179.45 180.29 1j22 h GLU 73 N 0.34 0.00 0.00 3.15 5.08 -1.13 -3.23 114.58 118.79 1j22 h GLU 73 Ca 0.07 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.09 1j22 h GLU 73 Cb 0.40 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 1j22 h GLU 73 CO 0.02 0.00 -2.06 0.00 -1.00 0.00 0.00 179.01 175.97 1j22 n ALA 74 N -2.09 1.49 -2.85 3.43 0.00 -0.87 -4.96 120.51 114.66 1j22 n ALA 74 Ca 0.02 -1.06 -0.14 0.00 0.00 0.00 0.00 53.44 52.26 1j22 n ALA 74 Cb 0.40 -0.50 -0.14 0.00 0.00 0.00 0.00 19.45 19.21 1j22 n ALA 74 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1j22 s TYR 75 N -2.54 0.25 0.26 0.00 2.02 -0.26 -5.03 117.35 112.04 1j22 s TYR 75 Ca -0.08 -0.04 0.12 0.00 -0.37 0.00 0.00 57.07 56.70 1j22 s TYR 75 Cb 0.07 -0.17 0.44 0.00 -0.40 0.00 0.00 41.96 41.90 1j22 s TYR 75 CO 0.82 -0.01 1.65 0.66 -1.57 0.00 0.00 175.55 177.10 1j22 h SER 76 N 6.13 0.00 -2.12 2.29 4.64 -1.76 -3.36 113.55 119.37 1j22 h SER 76 Ca -0.27 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.48 1j22 h SER 76 Cb 1.20 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.88 1j22 h SER 76 CO 0.50 0.56 -0.82 0.54 -0.87 0.00 0.00 176.83 176.74 1j22 n ARG 77 N -3.77 1.85 -2.15 4.77 1.74 -0.01 -5.05 116.66 114.03 1j22 n ARG 77 Ca -0.01 -4.09 -0.32 0.00 -0.77 0.00 0.00 57.85 52.66 1j22 n ARG 77 Cb 0.58 -1.85 -0.01 0.00 -1.02 0.00 0.00 32.46 30.16 1j22 n ARG 77 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1j22 s PRO 78 N -2.10 3.74 -0.00 5.56 0.04 -1.26 -3.25 135.00 137.73 1j22 s PRO 78 Ca 0.39 0.90 0.01 0.00 0.04 0.00 0.00 61.00 62.34 1j22 s PRO 78 Cb 0.18 -2.10 -0.00 0.00 0.04 0.00 0.00 34.50 32.62 1j22 s PRO 78 CO -0.06 -0.45 -0.02 0.42 0.04 0.00 0.00 177.00 176.93 1j22 s ILE 79 N -2.82 0.16 -0.15 0.56 1.01 0.52 -4.21 121.20 116.27 1j22 s ILE 79 Ca 0.58 -0.09 -0.01 0.00 0.00 0.00 0.00 60.65 61.13 1j22 s ILE 79 Cb -0.11 -0.15 -0.01 0.00 0.01 0.00 0.00 42.46 42.21 1j22 s ILE 79 CO 0.41 0.04 -0.12 -0.32 0.00 0.00 0.00 174.94 174.95 1j22 s MET 80 N -0.05 3.34 -0.29 2.79 1.75 -0.45 -0.58 119.30 125.81 1j22 s MET 80 Ca 0.01 -0.69 -0.06 0.00 -1.25 0.00 0.00 55.69 53.70 1j22 s MET 80 Cb -0.01 -2.70 0.01 0.00 2.84 0.00 0.00 34.83 34.97 1j22 s MET 80 CO -0.00 0.08 0.06 0.42 -0.65 0.00 0.00 175.02 174.93 1j22 s ILE 81 N 0.70 3.84 -0.28 10.11 1.01 0.10 -0.90 121.20 135.77 1j22 s ILE 81 Ca -0.06 -0.73 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 1j22 s ILE 81 Cb -0.15 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 1j22 s ILE 81 CO 0.02 0.09 0.45 -0.69 0.00 0.00 0.00 174.94 174.81 1j22 s VAL 82 N 1.48 5.11 -0.24 2.92 1.01 0.07 -1.36 120.40 129.38 1j22 s VAL 82 Ca 0.02 0.61 -0.08 0.00 0.00 0.00 0.00 61.98 62.53 1j22 s VAL 82 Cb -0.17 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1j22 s VAL 82 CO 0.02 0.05 0.10 -0.70 0.00 0.00 0.00 175.10 174.57 1j22 s GLU 83 N 2.21 3.80 0.00 2.72 2.12 0.09 -0.71 118.70 128.93 1j22 s GLU 83 Ca 0.18 -0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.10 1j22 s GLU 83 Cb -0.16 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.84 1j22 s GLU 83 CO 0.10 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.14 1j22 n GLY 84 N 4.69 2.57 3.76 -1.50 0.00 0.41 -0.59 105.19 114.53 1j22 n GLY 84 Ca -0.16 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 43.51 1j22 n GLY 84 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j22 s SER 85 N 0.00 7.31 0.00 1.61 0.15 -1.26 -4.61 113.70 116.90 1j22 s SER 85 Ca 0.00 2.08 0.23 0.00 0.70 0.00 0.00 55.95 58.96 1j22 s SER 85 Cb 0.00 -2.61 0.14 0.00 -1.71 0.00 0.00 66.02 61.84 1j22 s SER 85 CO 0.00 -0.10 1.17 0.18 1.20 0.00 0.00 173.24 175.70 1j22 n LEU 86 N 1.00 1.60 -4.90 3.45 4.77 -1.26 -4.83 117.00 116.84 1j22 n LEU 86 Ca -0.00 -0.58 -0.29 0.00 -0.03 0.00 0.00 56.01 55.11 1j22 n LEU 86 Cb 0.47 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.49 1j22 n LEU 86 CO 0.50 0.31 0.29 -0.31 -1.33 0.00 0.00 177.39 176.85 1j22 s TYR 87 N -2.58 3.48 0.00 -1.77 2.02 -1.26 -4.10 117.35 113.13 1j22 s TYR 87 Ca 0.18 0.77 0.00 0.00 -0.37 0.00 0.00 57.07 57.65 1j22 s TYR 87 Cb 0.18 -2.22 0.00 0.00 -0.40 0.00 0.00 41.96 39.52 1j22 s TYR 87 CO 0.61 0.05 0.00 0.41 -1.57 0.00 0.00 175.55 175.06 1j22 n GLY 88 N -1.17 1.49 3.38 0.71 0.00 -1.26 -4.96 105.19 103.39 1j22 n GLY 88 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1j22 n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j22 s ILE 89 N -3.57 5.24 0.00 -0.61 -1.09 -1.26 -5.03 121.20 114.89 1j22 s ILE 89 Ca 0.00 -2.12 0.00 0.00 -2.23 0.00 0.00 60.65 56.30 1j22 s ILE 89 Cb 0.00 -4.61 0.00 0.00 -1.58 0.00 0.00 42.46 36.27 1j22 s ILE 89 CO 0.00 -1.25 0.00 0.54 -1.23 0.00 0.00 174.94 173.00 1j22 n ARG 90 N 5.06 2.04 -0.52 2.79 3.00 -1.26 -4.26 116.66 123.51 1j22 n ARG 90 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.03 1j22 n ARG 90 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.94 1j22 n ARG 90 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1j22 n ASN 91 N 0.00 -2.80 -3.67 0.55 0.23 -1.26 -4.82 115.26 103.50 1j22 n ASN 91 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 53.97 1j22 n ASN 91 Cb 0.00 -2.09 -0.09 0.00 -2.08 0.00 0.00 39.78 35.52 1j22 n ASN 91 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1j22 s VAL 92 N -0.58 -0.36 0.32 3.53 1.01 -1.26 -5.12 120.40 117.94 1j22 s VAL 92 Ca 0.00 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1j22 s VAL 92 Cb 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 36.38 35.53 1j22 s VAL 92 CO 0.00 0.04 1.28 -2.28 0.00 0.00 0.00 175.10 174.14 1j22 s HIS 93 N 2.05 3.12 0.34 5.22 2.46 -1.26 -4.92 115.29 122.30 1j22 s HIS 93 Ca -0.07 1.44 0.10 0.00 0.47 0.00 0.00 55.06 57.01 1j22 s HIS 93 Cb -0.09 -3.63 0.87 0.00 -0.13 0.00 0.00 32.58 29.60 1j22 s HIS 93 CO -0.15 -1.71 1.80 -1.35 -2.47 0.00 0.00 174.74 170.86 1j22 h PRO 94 N 3.48 0.61 0.00 2.88 0.11 -1.99 0.28 132.00 137.38 1j22 h PRO 94 Ca -0.49 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1j22 h PRO 94 Cb 1.22 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1j22 h PRO 94 CO 0.66 0.40 -0.06 -0.91 -0.21 0.00 0.00 178.00 177.89 1j22 h ASN 95 N 0.63 0.00 -0.16 -2.05 2.35 -1.98 0.59 115.58 114.96 1j22 h ASN 95 Ca 0.55 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 56.13 1j22 h ASN 95 Cb 1.05 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.42 1j22 h ASN 95 CO -0.32 0.06 -0.56 0.00 -1.65 0.00 0.00 177.43 174.95 1j22 h ALA 96 N 1.94 0.54 -0.03 -0.83 0.00 -1.30 0.11 119.26 119.70 1j22 h ALA 96 Ca -0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1j22 h ALA 96 Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1j22 h ALA 96 CO 0.01 0.69 -0.09 0.82 0.00 0.00 0.00 179.25 180.67 1j22 h ILE 97 N 0.57 1.47 -0.54 0.00 2.04 -1.25 -2.50 117.51 117.29 1j22 h ILE 97 Ca 0.01 -1.53 0.02 0.00 1.00 0.00 0.00 64.86 64.36 1j22 h ILE 97 Cb 1.15 2.42 -0.03 0.00 -0.74 0.00 0.00 36.82 39.61 1j22 h ILE 97 CO 0.12 0.41 0.33 0.03 0.00 0.00 0.00 178.15 179.04 1j22 h ARG 98 N -0.46 0.64 -0.83 2.37 3.08 -0.94 -1.18 114.38 117.05 1j22 h ARG 98 Ca -0.00 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1j22 h ARG 98 Cb 0.72 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 1j22 h ARG 98 CO 0.02 0.42 0.55 0.78 -1.07 0.00 0.00 179.97 180.67 1j22 h GLY 99 N 0.65 1.17 0.88 0.04 0.00 -0.81 -0.16 103.07 104.85 1j22 h GLY 99 Ca 0.22 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 1j22 h GLY 99 CO -0.09 0.43 0.02 0.00 0.00 0.00 0.00 176.54 176.90 1j22 h ALA 100 N 1.30 0.39 -0.48 3.60 0.00 -1.06 -1.67 119.26 121.34 1j22 h ALA 100 Ca 0.30 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1j22 h ALA 100 Cb -0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1j22 h ALA 100 CO -0.06 0.11 0.32 0.82 0.00 0.00 0.00 179.25 180.43 1j22 h ILE 101 N 0.30 1.12 -0.68 0.00 2.04 -0.84 -1.61 117.51 117.84 1j22 h ILE 101 Ca 0.09 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 1j22 h ILE 101 Cb 0.38 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1j22 h ILE 101 CO 0.01 0.12 0.27 0.00 0.00 0.00 0.00 178.15 178.54 1j22 h ALA 102 N 1.18 0.89 -0.21 1.87 0.00 -0.95 -1.94 119.26 120.09 1j22 h ALA 102 Ca 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1j22 h ALA 102 Cb -0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1j22 h ALA 102 CO -0.04 0.51 0.11 0.00 0.00 0.00 0.00 179.25 179.83 1j22 h ALA 103 N 1.12 0.27 -0.15 0.00 0.00 -0.93 0.32 119.26 119.89 1j22 h ALA 103 Ca 0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1j22 h ALA 103 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1j22 h ALA 103 CO -0.02 -0.19 0.03 0.28 0.00 0.00 0.00 179.25 179.35 1j22 h VAL 104 N 0.23 1.21 -0.01 0.00 2.07 -1.20 -0.42 116.25 118.12 1j22 h VAL 104 Ca 0.07 -0.66 -0.23 0.00 0.82 0.00 0.00 66.70 66.70 1j22 h VAL 104 Cb 0.07 1.36 0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1j22 h VAL 104 CO -0.01 0.20 -0.90 0.71 0.02 0.00 0.00 177.57 177.59 1j22 h THR 105 N 0.04 1.32 0.10 2.57 1.35 -1.34 -0.79 112.91 116.15 1j22 h THR 105 Ca 0.05 -2.17 -0.35 0.00 -0.55 0.00 0.00 66.41 63.39 1j22 h THR 105 Cb 0.27 2.40 -0.02 0.00 -1.73 0.00 0.00 68.15 69.07 1j22 h THR 105 CO 0.00 0.66 -1.91 0.52 -0.25 0.00 0.00 175.52 174.54 1j22 n VAL 106 N -3.97 1.72 -0.07 6.82 0.31 0.10 -3.32 118.33 119.92 1j22 n VAL 106 Ca -0.11 -0.54 -0.10 0.00 -0.01 0.00 0.00 64.34 63.58 1j22 n VAL 106 Cb 0.81 -1.77 -0.07 0.00 -0.91 0.00 0.00 33.84 31.90 1j22 n VAL 106 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1j22 h ASP 107 N -0.13 0.00 1.37 4.52 3.32 -1.24 -3.36 116.42 120.90 1j22 h ASP 107 Ca -0.43 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.21 1j22 h ASP 107 Cb 1.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.45 1j22 h ASP 107 CO 0.02 0.94 0.00 -0.26 -1.72 0.00 0.00 179.24 178.22 1j22 h PHE 108 N -1.00 0.00 -1.99 4.55 0.04 -1.09 -3.47 116.94 113.98 1j22 h PHE 108 Ca -0.08 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.41 1j22 h PHE 108 Cb 0.71 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.85 1j22 h PHE 108 CO 0.06 0.00 -0.35 0.41 -0.60 0.00 0.00 178.31 177.83 1j22 n GLY 109 N 0.71 -0.19 3.38 -1.45 0.00 -0.74 -4.99 105.19 101.92 1j22 n GLY 109 Ca 0.03 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 1j22 n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j22 s VAL 110 N -2.69 4.15 0.38 1.61 1.01 -0.38 -4.98 120.40 119.50 1j22 s VAL 110 Ca 0.01 -0.58 -0.27 0.00 0.00 0.00 0.00 61.98 61.14 1j22 s VAL 110 Cb -0.00 -3.11 -0.11 0.00 0.00 0.00 0.00 36.38 33.15 1j22 s VAL 110 CO 0.01 0.10 1.39 -2.65 0.00 0.00 0.00 175.10 173.95 1j22 n PRO 111 N 4.90 2.36 -3.91 2.72 -0.02 -1.26 -3.58 135.00 136.20 1j22 n PRO 111 Ca -0.15 0.83 -0.30 0.00 -2.02 0.00 0.00 63.50 61.86 1j22 n PRO 111 Cb 0.49 -2.52 -0.14 0.00 -0.02 0.00 0.00 33.50 31.30 1j22 n PRO 111 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1j22 s ILE 112 N -1.13 2.02 0.02 4.25 1.01 -1.26 -1.34 121.20 124.78 1j22 s ILE 112 Ca 0.56 -2.53 -0.22 0.00 0.00 0.00 0.00 60.65 58.46 1j22 s ILE 112 Cb -0.51 -2.46 -0.06 0.00 0.01 0.00 0.00 42.46 39.45 1j22 s ILE 112 CO 0.62 -0.72 0.64 -0.63 0.00 0.00 0.00 174.94 174.86 1j22 s ILE 113 N 0.57 4.82 -0.20 2.92 1.01 -0.08 -4.91 121.20 125.34 1j22 s ILE 113 Ca 0.14 1.36 -0.10 0.00 0.00 0.00 0.00 60.65 62.05 1j22 s ILE 113 Cb -0.22 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 1j22 s ILE 113 CO -0.07 0.42 0.13 -0.36 0.00 0.00 0.00 174.94 175.06 1j22 s PHE 114 N -0.28 3.38 0.00 3.97 0.40 -1.26 -0.75 117.98 123.44 1j22 s PHE 114 Ca 0.33 0.28 0.08 0.00 -0.60 0.00 0.00 56.93 57.03 1j22 s PHE 114 Cb -0.19 -2.16 -0.02 0.00 0.51 0.00 0.00 43.02 41.15 1j22 s PHE 114 CO 0.19 0.24 -0.26 0.45 0.70 0.00 0.00 175.22 176.55 1j22 s SER 115 N 0.45 3.05 0.24 1.36 0.15 0.11 -4.94 113.70 114.13 1j22 s SER 115 Ca 0.07 -0.51 0.21 0.00 0.70 0.00 0.00 55.95 56.42 1j22 s SER 115 Cb -0.11 -0.32 0.06 0.00 -1.71 0.00 0.00 66.02 63.94 1j22 s SER 115 CO -0.01 0.29 1.18 0.77 1.20 0.00 0.00 173.24 176.67 1j22 h SER 116 N 5.24 0.00 -5.20 5.45 4.64 -1.89 0.12 113.55 121.90 1j22 h SER 116 Ca -0.44 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.81 1j22 h SER 116 Cb 1.13 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.11 1j22 h SER 116 CO 0.46 0.14 -0.17 0.42 -0.87 0.00 0.00 176.83 176.81 1j22 s THR 117 N -3.22 0.04 0.43 2.95 -4.23 -1.26 -4.22 115.64 106.13 1j22 s THR 117 Ca 0.01 -1.20 0.13 0.00 -1.18 0.00 0.00 61.69 59.45 1j22 s THR 117 Cb 0.08 -1.83 0.19 0.00 1.34 0.00 0.00 72.50 72.28 1j22 s THR 117 CO 0.76 -0.18 1.98 1.55 -0.54 0.00 0.00 174.62 178.20 1j22 h PRO 118 N 2.37 0.09 -0.66 3.99 0.13 -1.94 -1.28 132.00 134.70 1j22 h PRO 118 Ca -0.30 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.76 1j22 h PRO 118 Cb 1.24 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1j22 h PRO 118 CO 0.42 0.23 0.20 0.93 -0.23 0.00 0.00 178.00 179.56 1j22 h GLU 119 N 0.09 1.04 -0.27 0.86 3.07 -1.94 -1.07 114.58 116.35 1j22 h GLU 119 Ca 0.02 -0.23 -0.11 0.00 -0.50 0.00 0.00 59.36 58.54 1j22 h GLU 119 Cb 0.30 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1j22 h GLU 119 CO 0.02 0.91 -0.31 1.49 -1.40 0.00 0.00 179.01 179.71 1j22 h GLU 120 N 0.97 0.56 -0.59 2.33 4.81 -1.75 -1.22 114.58 119.69 1j22 h GLU 120 Ca 0.21 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1j22 h GLU 120 Cb 0.31 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1j22 h GLU 120 CO -0.01 0.81 0.33 1.15 -0.73 0.00 0.00 179.01 180.56 1j22 h THR 121 N 0.48 1.19 -0.72 0.32 2.02 -0.87 -1.04 112.91 114.30 1j22 h THR 121 Ca 0.06 -0.46 -0.04 0.00 0.77 0.00 0.00 66.41 66.74 1j22 h THR 121 Cb 0.78 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1j22 h THR 121 CO 0.06 0.20 0.30 0.00 0.37 0.00 0.00 175.52 176.45 1j22 h ALA 122 N 1.16 0.93 -0.78 6.16 0.00 -0.82 -1.31 119.26 124.61 1j22 h ALA 122 Ca 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1j22 h ALA 122 Cb 0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1j22 h ALA 122 CO -0.04 0.54 0.42 1.96 0.00 0.00 0.00 179.25 182.14 1j22 h GLN 123 N 1.02 1.08 -0.19 0.00 1.08 -0.66 0.90 115.11 118.34 1j22 h GLN 123 Ca 0.24 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.29 1j22 h GLN 123 Cb 0.19 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1j22 h GLN 123 CO -0.02 0.79 -0.00 1.88 -0.95 0.00 0.00 178.83 180.53 1j22 h TYR 124 N 1.08 0.36 -0.76 2.96 0.05 -0.79 -1.71 116.97 118.17 1j22 h TYR 124 Ca 0.27 -0.06 0.03 0.00 0.05 0.00 0.00 58.73 59.02 1j22 h TYR 124 Cb 0.03 -0.09 -0.05 0.00 1.01 0.00 0.00 36.73 37.63 1j22 h TYR 124 CO 0.01 0.53 0.48 0.82 -1.05 0.00 0.00 178.16 178.95 1j22 h ILE 125 N 0.09 1.10 0.05 -2.88 2.04 -0.76 -1.92 117.51 115.23 1j22 h ILE 125 Ca 0.05 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1j22 h ILE 125 Cb 0.39 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1j22 h ILE 125 CO 0.01 0.17 -0.03 0.15 0.00 0.00 0.00 178.15 178.45 1j22 h PHE 126 N 0.92 -0.07 -0.12 1.37 3.04 -0.71 -0.80 116.94 120.57 1j22 h PHE 126 Ca 0.31 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 62.18 1j22 h PHE 126 Cb 0.03 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 1j22 h PHE 126 CO -0.04 0.03 -0.25 1.37 -2.02 0.00 0.00 178.31 177.41 1j22 h LEU 127 N -0.15 0.22 -0.18 0.59 8.10 -1.10 -0.65 115.31 122.14 1j22 h LEU 127 Ca -0.01 -0.06 -0.14 0.00 0.11 0.00 0.00 57.88 57.78 1j22 h LEU 127 Cb 0.13 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 40.29 1j22 h LEU 127 CO 0.01 0.48 -0.43 0.40 -4.11 0.00 0.00 178.44 174.79 1j22 h ILE 128 N 0.20 1.33 -0.83 0.15 2.04 -1.23 -2.55 117.51 116.62 1j22 h ILE 128 Ca 0.03 -1.67 -0.03 0.00 1.00 0.00 0.00 64.86 64.19 1j22 h ILE 128 Cb 0.56 1.91 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 1j22 h ILE 128 CO 0.04 0.52 0.41 0.00 0.00 0.00 0.00 178.15 179.11 1j22 h ALA 129 N 0.58 1.06 -0.56 1.87 0.00 -0.82 -0.98 119.26 120.41 1j22 h ALA 129 Ca -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1j22 h ALA 129 Cb 1.04 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1j22 h ALA 129 CO 0.09 0.62 0.28 -0.22 0.00 0.00 0.00 179.25 180.03 1j22 h LYS 130 N 1.17 0.80 -0.62 0.00 3.64 -1.08 -0.39 116.57 120.09 1j22 h LYS 130 Ca 0.29 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1j22 h LYS 130 Cb 0.10 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1j22 h LYS 130 CO -0.04 0.64 0.16 0.00 -2.27 0.00 0.00 179.45 177.95 1j22 h ARG 131 N 0.76 0.97 -0.05 1.90 3.08 -1.08 -0.82 114.38 119.14 1j22 h ARG 131 Ca 0.20 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1j22 h ARG 131 Cb 0.10 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1j22 h ARG 131 CO -0.03 0.85 -0.02 1.49 -1.07 0.00 0.00 179.97 181.20 1j22 h GLU 132 N 0.93 -0.01 -0.71 0.04 4.57 -0.55 -2.11 114.58 116.74 1j22 h GLU 132 Ca 0.20 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.38 1j22 h GLU 132 Cb 0.31 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 1j22 h GLU 132 CO -0.00 -0.01 0.42 0.37 -1.18 0.00 0.00 179.01 178.61 1j22 h GLN 133 N -0.01 0.97 -0.09 1.92 4.15 -0.72 -2.88 115.11 118.46 1j22 h GLN 133 Ca 0.03 -0.10 -0.07 0.00 0.77 0.00 0.00 58.65 59.28 1j22 h GLN 133 Cb 0.05 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 1j22 h GLN 133 CO -0.05 0.70 -0.25 0.93 -1.93 0.00 0.00 178.83 178.23 1j22 h GLU 134 N 0.97 0.15 -0.00 1.69 5.08 -0.93 -3.51 114.58 118.02 1j22 h GLU 134 Ca 0.25 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1j22 h GLU 134 Cb -0.01 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1j22 h GLU 134 CO -0.05 0.39 0.00 -0.85 -1.00 0.00 0.00 179.01 177.51