#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1npb s LEU 2 N 0.00 4.17 0.10 -0.89 1.43 -1.26 -4.87 118.68 117.35 1npb s LEU 2 Ca 0.00 1.63 0.04 0.00 -1.03 0.00 0.00 54.13 54.77 1npb s LEU 2 Cb 0.00 -3.54 -0.23 0.00 0.03 0.00 0.00 46.19 42.45 1npb s LEU 2 CO 0.00 -0.74 1.20 1.56 0.23 0.00 0.00 176.35 178.60 1npb h GLN 3 N 8.06 0.09 -1.39 1.70 1.08 -2.10 -3.49 115.11 119.06 1npb h GLN 3 Ca -0.25 -0.15 0.39 0.00 -1.45 0.00 0.00 58.65 57.19 1npb h GLN 3 Cb 1.09 0.06 -0.12 0.00 -0.05 0.00 0.00 27.48 28.46 1npb h GLN 3 CO 0.97 1.05 0.97 -1.54 -0.95 0.00 0.00 178.83 179.33 1npb s SER 4 N -6.82 -0.01 -0.07 1.46 1.04 -1.26 -5.11 113.70 102.93 1npb s SER 4 Ca -0.01 -0.04 -0.30 0.00 0.48 0.00 0.00 55.95 56.09 1npb s SER 4 Cb 0.09 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 1npb s SER 4 CO 0.84 -0.07 1.32 -0.22 0.98 0.00 0.00 173.24 176.10 1npb s LEU 5 N -3.30 4.26 -0.13 2.42 2.96 -1.26 -4.92 118.68 118.71 1npb s LEU 5 Ca 0.20 1.90 -0.28 0.00 -0.22 0.00 0.00 54.13 55.74 1npb s LEU 5 Cb 0.05 -3.55 -0.25 0.00 0.50 0.00 0.00 46.19 42.94 1npb s LEU 5 CO -0.05 -0.71 0.78 -1.13 -1.32 0.00 0.00 176.35 173.91 1npb h ASN 6 N 8.02 -0.00 -4.93 3.68 -0.73 -1.98 -3.47 115.58 116.17 1npb h ASN 6 Ca -0.33 -0.93 -0.01 0.00 1.87 0.00 0.00 56.30 56.90 1npb h ASN 6 Cb 1.15 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 39.60 1npb h ASN 6 CO 0.92 0.94 0.25 -1.38 -0.37 0.00 0.00 177.43 177.80 1npb s HIS 7 N -2.35 -0.54 -0.22 0.67 -3.43 -1.26 -4.22 115.29 103.94 1npb s HIS 7 Ca -0.18 0.49 -0.06 0.00 -0.80 0.00 0.00 55.06 54.51 1npb s HIS 7 Cb -0.03 0.52 -0.03 0.00 -1.43 0.00 0.00 32.58 31.62 1npb s HIS 7 CO 0.66 -0.75 0.04 -1.17 -2.00 0.00 0.00 174.74 171.52 1npb s LEU 8 N -2.34 3.37 -0.22 5.38 2.96 -0.18 -5.00 118.68 122.65 1npb s LEU 8 Ca -0.01 -0.19 -0.06 0.00 -0.22 0.00 0.00 54.13 53.65 1npb s LEU 8 Cb -0.01 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 1npb s LEU 8 CO -0.07 0.02 0.03 -0.89 -1.32 0.00 0.00 176.35 174.11 1npb s THR 9 N 1.29 4.10 -0.15 3.68 2.01 -1.26 0.10 115.64 125.41 1npb s THR 9 Ca 0.04 -0.26 -0.03 0.00 0.31 0.00 0.00 61.69 61.76 1npb s THR 9 Cb -0.15 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.47 1npb s THR 9 CO 0.02 0.40 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.53 1npb s LEU 10 N 1.19 3.06 0.12 4.42 1.43 0.27 -4.97 118.68 124.20 1npb s LEU 10 Ca 0.04 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.63 1npb s LEU 10 Cb -0.14 -1.73 -0.07 0.00 0.03 0.00 0.00 46.19 44.28 1npb s LEU 10 CO 0.02 0.15 1.14 0.00 0.23 0.00 0.00 176.35 177.89 1npb s ALA 11 N 0.44 3.37 0.23 4.21 0.00 -1.26 -1.23 121.76 127.52 1npb s ALA 11 Ca -0.06 0.82 0.09 0.00 0.00 0.00 0.00 51.96 52.81 1npb s ALA 11 Cb -0.15 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 1npb s ALA 11 CO 0.03 -0.31 -0.16 0.14 0.00 0.00 0.00 175.76 175.47 1npb s VAL 12 N 0.35 1.92 -0.09 0.00 -7.23 0.22 -4.90 120.40 110.67 1npb s VAL 12 Ca 0.53 -2.26 0.14 0.00 -1.81 0.00 0.00 61.98 58.58 1npb s VAL 12 Cb -0.29 -2.12 -0.20 0.00 0.56 0.00 0.00 36.38 34.33 1npb s VAL 12 CO 0.32 -0.54 0.18 -1.54 -0.31 0.00 0.00 175.10 173.21 1npb n SER 13 N -0.45 1.55 -3.52 4.85 3.41 -1.26 -1.34 113.62 116.87 1npb n SER 13 Ca -0.07 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.25 1npb n SER 13 Cb 0.60 1.23 -0.14 0.00 -0.26 0.00 0.00 64.21 65.64 1npb n SER 13 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1npb s ASP 14 N -4.28 3.38 0.24 4.04 -1.08 -1.26 -4.92 116.67 112.80 1npb s ASP 14 Ca -0.06 -1.49 -0.06 0.00 -0.52 0.00 0.00 52.55 50.41 1npb s ASP 14 Cb 0.07 -0.35 0.28 0.00 -1.46 0.00 0.00 42.92 41.46 1npb s ASP 14 CO 0.60 -0.41 1.90 0.25 0.52 0.00 0.00 175.17 178.02 1npb h LEU 15 N 8.08 1.02 0.26 -1.34 5.85 -1.95 -1.27 115.31 125.96 1npb h LEU 15 Ca -0.14 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1npb h LEU 15 Cb 1.00 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1npb h LEU 15 CO 0.40 0.70 -0.17 -0.61 -0.34 0.00 0.00 178.44 178.42 1npb h GLN 16 N 1.19 -0.40 -0.68 1.25 5.75 -1.97 0.16 115.11 120.40 1npb h GLN 16 Ca 0.36 0.03 0.12 0.00 -0.15 0.00 0.00 58.65 59.01 1npb h GLN 16 Cb -0.03 0.09 -0.09 0.00 1.07 0.00 0.00 27.48 28.53 1npb h GLN 16 CO -0.11 -0.27 0.25 0.87 -2.65 0.00 0.00 178.83 176.91 1npb h LYS 17 N -0.42 0.39 -0.15 1.69 6.56 -1.90 -1.38 116.57 121.36 1npb h LYS 17 Ca -0.02 -0.02 -0.16 0.00 -1.06 0.00 0.00 60.65 59.38 1npb h LYS 17 Cb 0.35 -0.09 0.01 0.00 -0.57 0.00 0.00 32.23 31.93 1npb h LYS 17 CO 0.02 0.26 -0.54 0.77 -2.06 0.00 0.00 179.45 177.90 1npb h SER 18 N 0.40 0.73 -0.24 0.86 0.02 -0.78 -2.17 113.55 112.37 1npb h SER 18 Ca 0.36 -0.61 0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1npb h SER 18 Cb 0.50 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1npb h SER 18 CO -0.37 1.22 0.14 0.58 -1.14 0.00 0.00 176.83 177.26 1npb h VAL 19 N 0.29 1.03 -0.71 2.27 2.07 -0.51 -0.31 116.25 120.38 1npb h VAL 19 Ca -0.02 -0.10 0.12 0.00 0.82 0.00 0.00 66.70 67.52 1npb h VAL 19 Cb 1.16 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.56 1npb h VAL 19 CO 0.11 0.05 0.30 0.74 0.02 0.00 0.00 177.57 178.79 1npb h THR 20 N 0.29 0.73 -0.01 2.57 2.02 -1.14 0.25 112.91 117.61 1npb h THR 20 Ca 0.09 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 1npb h THR 20 Cb -0.01 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1npb h THR 20 CO -0.04 0.09 -0.01 0.15 0.37 0.00 0.00 175.52 176.08 1npb h PHE 21 N 0.47 0.03 -0.06 3.16 3.57 -0.87 0.97 116.94 124.22 1npb h PHE 21 Ca 0.38 -0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.66 1npb h PHE 21 Cb 0.51 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1npb h PHE 21 CO -0.15 0.45 -0.83 -1.49 -2.23 0.00 0.00 178.31 174.05 1npb h TRP 22 N -0.39 0.70 0.00 0.41 4.06 -0.83 0.14 115.95 120.04 1npb h TRP 22 Ca 0.00 -0.34 -0.20 0.00 2.06 0.00 0.00 58.89 60.42 1npb h TRP 22 Cb 0.44 -0.10 -0.03 0.00 -1.00 0.00 0.00 29.16 28.47 1npb h TRP 22 CO 0.07 1.13 -1.07 1.25 -3.56 0.00 0.00 178.44 176.26 1npb h HIS 23 N 0.32 0.00 0.04 0.49 2.76 -0.58 -1.36 115.15 116.82 1npb h HIS 23 Ca -0.06 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 57.85 1npb h HIS 23 Cb 1.44 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.37 1npb h HIS 23 CO 0.06 1.41 -1.41 0.93 -1.30 0.00 0.00 177.93 177.62 1npb h GLU 24 N -1.00 0.08 0.09 5.26 5.08 -0.93 -2.37 114.58 120.80 1npb h GLU 24 Ca -0.30 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1npb h GLU 24 Cb 1.25 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1npb h GLU 24 CO -0.18 1.07 -0.04 1.25 -1.00 0.00 0.00 179.01 180.10 1npb h LEU 25 N -0.69 -0.10 0.00 1.33 5.85 -1.06 -3.30 115.31 117.33 1npb h LEU 25 Ca -0.35 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 57.89 1npb h LEU 25 Cb 1.51 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.56 1npb h LEU 25 CO -0.11 0.48 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.22 1npb h LEU 26 N -0.76 0.00 0.07 2.25 3.38 -0.85 -3.48 115.31 115.92 1npb h LEU 26 Ca -0.01 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1npb h LEU 26 Cb 0.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1npb h LEU 26 CO 0.02 0.03 -0.03 0.61 0.09 0.00 0.00 178.44 179.16 1npb n GLY 27 N 1.30 0.52 3.75 0.83 0.00 -0.89 -4.96 105.19 105.73 1npb n GLY 27 Ca 0.05 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 1npb n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1npb s LEU 28 N -0.34 3.78 0.08 0.99 1.02 -0.53 -4.96 118.68 118.71 1npb s LEU 28 Ca 0.00 2.72 -0.30 0.00 0.02 0.00 0.00 54.13 56.57 1npb s LEU 28 Cb 0.00 -4.37 -0.05 0.00 0.02 0.00 0.00 46.19 41.79 1npb s LEU 28 CO 0.00 -1.68 1.00 -0.89 0.02 0.00 0.00 176.35 174.80 1npb s THR 29 N -1.33 4.50 -0.19 5.49 2.01 -0.63 -4.49 115.64 121.00 1npb s THR 29 Ca 0.75 1.96 -0.18 0.00 0.31 0.00 0.00 61.69 64.53 1npb s THR 29 Cb -0.39 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 67.82 1npb s THR 29 CO 0.45 0.24 0.47 -0.22 -0.69 0.00 0.00 174.62 174.88 1npb s LEU 30 N 0.37 4.17 -0.19 4.42 2.96 -1.26 -0.82 118.68 128.33 1npb s LEU 30 Ca 0.50 0.65 0.02 0.00 -0.22 0.00 0.00 54.13 55.08 1npb s LEU 30 Cb -0.24 -2.65 -0.13 0.00 0.50 0.00 0.00 46.19 43.67 1npb s LEU 30 CO 0.30 -0.12 -0.15 1.41 -1.32 0.00 0.00 176.35 176.46 1npb n HIS 31 N 4.51 0.00 -3.59 5.38 8.25 0.08 -5.01 115.22 124.84 1npb n HIS 31 Ca -0.06 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.28 1npb n HIS 31 Cb 0.51 -0.74 -0.04 0.00 1.12 0.00 0.00 29.99 30.83 1npb n HIS 31 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1npb s ALA 32 N -2.38 -1.11 -0.14 -1.41 0.00 -1.10 -4.98 121.76 110.62 1npb s ALA 32 Ca -0.25 0.17 -0.12 0.00 0.00 0.00 0.00 51.96 51.76 1npb s ALA 32 Cb 0.07 0.65 0.04 0.00 0.00 0.00 0.00 23.12 23.88 1npb s ALA 32 CO 0.46 -0.63 0.38 0.50 0.00 0.00 0.00 175.76 176.47 1npb s ARG 33 N -3.48 0.43 0.00 0.00 3.52 -1.26 -0.56 118.95 117.59 1npb s ARG 33 Ca 0.01 0.55 0.00 0.00 -0.13 0.00 0.00 55.73 56.16 1npb s ARG 33 Cb 0.01 0.18 0.00 0.00 -1.56 0.00 0.00 34.95 33.58 1npb s ARG 33 CO -0.10 -0.07 0.00 -2.67 -0.81 0.00 0.00 175.30 171.65 1npb n TRP 34 N 3.07 0.00 -0.01 5.12 2.14 0.20 -4.98 117.44 122.98 1npb n TRP 34 Ca -0.15 0.00 0.02 0.00 2.07 0.00 0.00 57.50 59.45 1npb n TRP 34 Cb 0.57 0.00 0.37 0.00 -0.81 0.00 0.00 31.31 31.44 1npb n TRP 34 CO 0.00 0.00 0.00 -0.91 2.07 0.00 0.00 177.69 178.85 1npb h ASN 35 N 0.00 0.49 0.00 -0.67 2.35 -2.03 -3.25 115.58 112.47 1npb h ASN 35 Ca 0.00 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1npb h ASN 35 Cb 0.00 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1npb h ASN 35 CO 0.00 0.44 -0.15 0.35 -1.65 0.00 0.00 177.43 176.42 1npb n THR 36 N -4.39 1.59 -3.81 2.81 -2.24 -1.26 -5.00 114.28 101.98 1npb n THR 36 Ca 0.03 -1.99 0.03 0.00 -2.27 0.00 0.00 64.05 59.84 1npb n THR 36 Cb 0.13 -0.10 0.01 0.00 -2.10 0.00 0.00 70.33 68.27 1npb n THR 36 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1npb s GLY 37 N -2.61 -0.28 -0.04 3.38 0.00 -1.23 -0.64 107.32 105.90 1npb s GLY 37 Ca 0.28 0.39 -0.18 0.00 0.00 0.00 0.00 44.72 45.21 1npb s GLY 37 CO 0.01 3.14 0.40 0.00 0.00 0.00 0.00 173.10 176.65 1npb s ALA 38 N -2.15 -1.02 -0.18 3.20 0.00 -0.21 -0.62 121.76 120.78 1npb s ALA 38 Ca 0.23 0.66 -0.02 0.00 0.00 0.00 0.00 51.96 52.82 1npb s ALA 38 Cb 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 1npb s ALA 38 CO -0.03 -0.27 -0.09 0.71 0.00 0.00 0.00 175.76 176.09 1npb s TYR 39 N -1.05 2.90 0.36 0.00 4.12 0.27 -0.79 117.35 123.16 1npb s TYR 39 Ca -0.11 -0.80 0.04 0.00 0.02 0.00 0.00 57.07 56.22 1npb s TYR 39 Cb -0.04 -1.98 -0.06 0.00 -1.52 0.00 0.00 41.96 38.37 1npb s TYR 39 CO 0.05 -0.38 0.06 -0.51 0.02 0.00 0.00 175.55 174.79 1npb s LEU 40 N 0.91 2.26 -0.03 -1.29 1.02 0.73 -0.75 118.68 121.54 1npb s LEU 40 Ca -0.02 -1.42 0.01 0.00 0.02 0.00 0.00 54.13 52.72 1npb s LEU 40 Cb -0.15 -0.44 0.01 0.00 0.02 0.00 0.00 46.19 45.64 1npb s LEU 40 CO 0.00 -0.64 -0.04 -0.89 0.02 0.00 0.00 176.35 174.81 1npb s THR 41 N -3.19 0.43 -0.27 5.49 2.01 0.00 0.15 115.64 120.26 1npb s THR 41 Ca 0.33 -0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.22 1npb s THR 41 Cb 0.08 -0.43 0.08 0.00 0.01 0.00 0.00 72.50 72.23 1npb s THR 41 CO 0.15 0.17 0.00 0.00 -0.69 0.00 0.00 174.62 174.26 1npb n GLY 43 N 4.66 1.96 0.42 0.00 0.00 -1.26 -0.95 105.19 110.03 1npb n GLY 43 Ca -0.07 0.45 0.04 0.00 0.00 0.00 0.00 46.02 46.44 1npb n GLY 43 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1npb n ASP 44 N 7.23 2.65 -4.67 1.61 5.68 -1.26 -4.91 116.55 122.87 1npb n ASP 44 Ca 0.00 -2.07 -0.42 0.00 -0.50 0.00 0.00 54.79 51.80 1npb n ASP 44 Cb 0.00 -0.17 -0.03 0.00 -1.14 0.00 0.00 41.12 39.78 1npb n ASP 44 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1npb s LEU 45 N -1.12 4.29 -0.24 -2.12 2.96 -0.12 -5.00 118.68 117.33 1npb s LEU 45 Ca 0.16 2.11 -0.27 0.00 -0.22 0.00 0.00 54.13 55.92 1npb s LEU 45 Cb 0.09 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.25 1npb s LEU 45 CO 0.10 -0.86 0.92 0.86 -1.32 0.00 0.00 176.35 176.05 1npb s TRP 46 N 3.62 3.32 -0.15 5.38 -0.00 -1.26 -1.28 118.94 128.58 1npb s TRP 46 Ca 0.68 1.28 -0.01 0.00 -0.00 0.00 0.00 56.10 58.04 1npb s TRP 46 Cb -0.31 -3.15 -0.02 0.00 -0.00 0.00 0.00 33.47 29.99 1npb s TRP 46 CO 0.26 -0.44 -0.10 0.08 -0.00 0.00 0.00 176.95 176.75 1npb s VAL 47 N 3.01 3.30 -0.16 5.86 1.01 0.12 -1.01 120.40 132.53 1npb s VAL 47 Ca 0.39 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1npb s VAL 47 Cb -0.15 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1npb s VAL 47 CO 0.07 0.51 -0.07 0.00 0.00 0.00 0.00 175.10 175.60 1npb s LEU 49 N 0.65 3.93 -0.15 0.00 1.43 0.03 -0.56 118.68 124.01 1npb s LEU 49 Ca -0.04 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1npb s LEU 49 Cb -0.15 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 44.00 1npb s LEU 49 CO 0.02 -0.05 -0.15 -0.55 0.23 0.00 0.00 176.35 175.86 1npb s SER 50 N 1.74 2.71 0.14 2.29 0.15 -0.36 -1.05 113.70 119.31 1npb s SER 50 Ca 0.07 -0.50 -0.31 0.00 0.70 0.00 0.00 55.95 55.91 1npb s SER 50 Cb -0.16 -1.20 -0.09 0.00 -1.71 0.00 0.00 66.02 62.86 1npb s SER 50 CO 0.10 -0.04 1.45 -0.47 1.20 0.00 0.00 173.24 175.48 1npb s TYR 51 N 1.38 3.18 -0.07 3.44 5.04 0.19 -0.61 117.35 129.89 1npb s TYR 51 Ca 0.03 0.86 -0.02 0.00 -2.44 0.00 0.00 57.07 55.50 1npb s TYR 51 Cb -0.13 -3.76 0.03 0.00 0.35 0.00 0.00 41.96 38.45 1npb s TYR 51 CO -0.09 -2.71 0.01 0.34 -1.34 0.00 0.00 175.55 171.76 1npb s ASP 52 N 1.07 1.57 0.38 4.32 -1.08 -0.45 -4.85 116.67 117.64 1npb s ASP 52 Ca 0.66 -0.09 0.28 0.00 -0.52 0.00 0.00 52.55 52.88 1npb s ASP 52 Cb -0.39 -0.39 1.28 0.00 -1.46 0.00 0.00 42.92 41.95 1npb s ASP 52 CO 0.31 -0.21 1.84 1.05 0.52 0.00 0.00 175.17 178.68 1npb h GLU 53 N 8.34 0.00 0.00 4.34 -0.00 -1.94 -1.17 114.58 124.16 1npb h GLU 53 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.18 1npb h GLU 53 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.87 1npb h GLU 53 CO 0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 179.01 179.23 1npb n ALA 54 N -1.88 2.37 -2.67 1.06 0.00 -1.26 -4.85 120.51 113.28 1npb n ALA 54 Ca 0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 1npb n ALA 54 Cb 0.18 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 1npb n ALA 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1npb s ARG 55 N -3.03 4.53 0.42 0.00 6.06 -0.44 -5.05 118.95 121.44 1npb s ARG 55 Ca 0.13 1.47 0.04 0.00 -2.50 0.00 0.00 55.73 54.86 1npb s ARG 55 Cb 0.17 -3.45 -0.04 0.00 0.06 0.00 0.00 34.95 31.69 1npb s ARG 55 CO 0.56 -0.09 0.06 -0.65 -2.50 0.00 0.00 175.30 172.67 1npb s GLN 56 N 1.08 1.94 0.14 5.12 -0.21 -1.26 -4.59 119.66 121.88 1npb s GLN 56 Ca 0.53 -2.17 -0.31 0.00 0.02 0.00 0.00 55.36 53.43 1npb s GLN 56 Cb -0.22 -1.09 -0.09 0.00 1.00 0.00 0.00 33.01 32.62 1npb s GLN 56 CO 0.28 -0.31 1.44 -0.47 -2.12 0.00 0.00 175.29 174.11 1npb s TYR 57 N -3.06 3.18 -0.33 0.91 5.04 -1.26 -4.85 117.35 116.97 1npb s TYR 57 Ca 0.24 0.88 -0.05 0.00 -2.44 0.00 0.00 57.07 55.70 1npb s TYR 57 Cb 0.05 -3.76 0.05 0.00 0.35 0.00 0.00 41.96 38.65 1npb s TYR 57 CO 0.12 -2.66 0.08 0.08 -1.34 0.00 0.00 175.55 171.83 1npb s VAL 58 N 0.99 3.54 0.48 3.14 1.01 -0.54 -4.99 120.40 124.02 1npb s VAL 58 Ca 0.65 -1.25 -0.23 0.00 0.00 0.00 0.00 61.98 61.15 1npb s VAL 58 Cb -0.39 -3.03 -0.08 0.00 0.00 0.00 0.00 36.38 32.88 1npb s VAL 58 CO 0.32 -0.18 1.14 -2.65 0.00 0.00 0.00 175.10 173.73 1npb n PRO 59 N 4.75 1.51 0.16 2.72 -0.02 -1.26 -4.43 135.00 138.42 1npb n PRO 59 Ca -0.12 0.55 0.11 0.00 -2.02 0.00 0.00 63.50 62.02 1npb n PRO 59 Cb 0.44 -2.27 0.63 0.00 -0.02 0.00 0.00 33.50 32.28 1npb n PRO 59 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1npb h PRO 60 N 1.50 0.06 0.00 0.52 0.13 -1.93 -1.94 132.00 130.34 1npb h PRO 60 Ca -0.47 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1npb h PRO 60 Cb 1.32 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1npb h PRO 60 CO 0.57 0.04 0.00 1.04 -0.23 0.00 0.00 178.00 179.42 1npb n GLN 61 N -4.49 0.16 -0.10 0.86 3.00 -1.26 -2.58 117.38 112.97 1npb n GLN 61 Ca 0.01 0.40 0.07 0.00 -0.01 0.00 0.00 57.00 57.47 1npb n GLN 61 Cb 0.23 -1.81 0.11 0.00 0.00 0.00 0.00 30.24 28.78 1npb n GLN 61 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1npb n GLU 62 N -2.11 1.76 -4.39 -1.09 1.02 -0.73 -4.96 120.64 110.14 1npb n GLU 62 Ca 0.02 -1.68 -0.25 0.00 -0.02 0.00 0.00 57.16 55.23 1npb n GLU 62 Cb 0.21 -1.28 -0.10 0.00 -0.02 0.00 0.00 31.44 30.25 1npb n GLU 62 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1npb s SER 63 N -1.05 3.86 0.70 1.62 1.04 -1.06 -4.96 113.70 113.85 1npb s SER 63 Ca 0.21 -0.83 -0.01 0.00 0.48 0.00 0.00 55.95 55.80 1npb s SER 63 Cb 0.12 -0.48 0.02 0.00 0.10 0.00 0.00 66.02 65.79 1npb s SER 63 CO 0.17 0.06 0.12 -0.90 0.98 0.00 0.00 173.24 173.68 1npb n ASP 64 N -0.33 0.08 0.00 7.02 5.68 -1.26 -4.96 116.55 122.78 1npb n ASP 64 Ca -0.08 -1.09 0.14 0.00 -0.50 0.00 0.00 54.79 53.26 1npb n ASP 64 Cb 0.58 -0.09 0.68 0.00 -1.14 0.00 0.00 41.12 41.15 1npb n ASP 64 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1npb n TYR 65 N -1.86 0.00 -1.61 2.11 9.36 -1.26 -4.85 117.16 119.06 1npb n TYR 65 Ca 0.02 0.00 -0.52 0.00 3.32 0.00 0.00 57.90 60.72 1npb n TYR 65 Cb 0.06 -0.39 -0.06 0.00 -0.63 0.00 0.00 39.34 38.32 1npb n TYR 65 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1npb n THR 66 N -1.39 0.03 -3.81 2.97 -1.04 -1.26 -4.93 114.28 104.85 1npb n THR 66 Ca 0.10 -0.01 -0.07 0.00 -2.04 0.00 0.00 64.05 62.04 1npb n THR 66 Cb 0.29 -0.91 -0.02 0.00 -1.82 0.00 0.00 70.33 67.87 1npb n THR 66 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1npb s HIS 67 N 0.81 -0.22 -0.14 -1.42 -3.43 -1.26 -4.61 115.29 105.02 1npb s HIS 67 Ca 0.85 -0.21 0.00 0.00 -0.80 0.00 0.00 55.06 54.91 1npb s HIS 67 Cb -0.95 0.69 0.03 0.00 -1.43 0.00 0.00 32.58 30.92 1npb s HIS 67 CO 0.48 -1.18 -0.12 0.71 -2.00 0.00 0.00 174.74 172.63 1npb s TYR 68 N -3.86 2.00 -0.08 0.38 1.51 -0.34 -5.02 117.35 111.93 1npb s TYR 68 Ca 0.10 -1.12 -0.03 0.00 -1.01 0.00 0.00 57.07 55.01 1npb s TYR 68 Cb -0.05 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 1npb s TYR 68 CO 0.05 -0.63 0.06 0.00 -1.11 0.00 0.00 175.55 173.91 1npb s ALA 69 N 1.54 3.52 -0.06 3.71 0.00 -1.26 -0.69 121.76 128.52 1npb s ALA 69 Ca 0.04 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.30 1npb s ALA 69 Cb -0.13 -1.65 -0.01 0.00 0.00 0.00 0.00 23.12 21.33 1npb s ALA 69 CO -0.10 0.61 -0.24 -0.06 0.00 0.00 0.00 175.76 175.97 1npb s PHE 70 N -0.98 2.45 0.12 0.00 0.40 0.87 -4.93 117.98 115.91 1npb s PHE 70 Ca 0.15 -0.69 -0.31 0.00 -0.60 0.00 0.00 56.93 55.48 1npb s PHE 70 Cb -0.12 -1.60 -0.09 0.00 0.51 0.00 0.00 43.02 41.72 1npb s PHE 70 CO 0.05 -0.19 1.50 0.99 0.70 0.00 0.00 175.22 178.26 1npb s THR 71 N -0.19 3.03 0.28 0.64 2.01 -1.25 -0.69 115.64 119.47 1npb s THR 71 Ca -0.03 0.69 0.12 0.00 0.31 0.00 0.00 61.69 62.78 1npb s THR 71 Cb -0.14 -3.45 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 1npb s THR 71 CO 0.03 0.04 -0.19 0.68 -0.69 0.00 0.00 174.62 174.50 1npb s VAL 72 N 1.41 2.42 0.45 3.82 -7.23 -0.89 -4.91 120.40 115.47 1npb s VAL 72 Ca 0.68 -2.38 -0.23 0.00 -1.81 0.00 0.00 61.98 58.24 1npb s VAL 72 Cb -0.40 -2.33 -0.08 0.00 0.56 0.00 0.00 36.38 34.14 1npb s VAL 72 CO 0.31 -0.38 1.18 0.00 -0.31 0.00 0.00 175.10 175.89 1npb s ALA 73 N -2.54 3.01 0.25 1.32 0.00 -1.26 -4.54 121.76 118.00 1npb s ALA 73 Ca 0.30 0.96 -0.05 0.00 0.00 0.00 0.00 51.96 53.18 1npb s ALA 73 Cb -0.04 -3.39 0.49 0.00 0.00 0.00 0.00 23.12 20.18 1npb s ALA 73 CO 0.15 -0.66 1.66 1.49 0.00 0.00 0.00 175.76 178.40 1npb h GLU 74 N 2.16 0.20 0.00 0.00 4.81 -1.99 0.04 114.58 119.79 1npb h GLU 74 Ca -0.49 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1npb h GLU 74 Cb 1.25 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1npb h GLU 74 CO 0.61 0.13 0.00 -0.85 -0.73 0.00 0.00 179.01 178.17 1npb n GLU 75 N -5.23 0.03 0.03 1.92 -0.00 -1.26 -2.91 120.64 113.22 1npb n GLU 75 Ca 0.15 0.13 0.11 0.00 -0.00 0.00 0.00 57.16 57.56 1npb n GLU 75 Cb 0.50 -1.54 -0.03 0.00 -0.00 0.00 0.00 31.44 30.36 1npb n GLU 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1npb n ASP 76 N -1.60 0.54 0.40 -1.84 9.92 -0.04 -4.60 116.55 119.33 1npb n ASP 76 Ca 0.05 -0.10 -0.19 0.00 -0.53 0.00 0.00 54.79 54.03 1npb n ASP 76 Cb 0.28 1.00 -0.09 0.00 -0.64 0.00 0.00 41.12 41.66 1npb n ASP 76 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1npb h PHE 77 N 0.00 -1.27 0.35 1.24 3.57 -1.32 0.77 116.94 120.28 1npb h PHE 77 Ca 0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1npb h PHE 77 Cb 0.83 0.46 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 1npb h PHE 77 CO 0.00 -0.69 -0.35 0.93 -2.23 0.00 0.00 178.31 175.97 1npb h GLU 78 N -1.13 -0.70 -0.99 1.11 4.39 -1.81 0.38 114.58 115.83 1npb h GLU 78 Ca -0.10 0.05 0.22 0.00 0.34 0.00 0.00 59.36 59.87 1npb h GLU 78 Cb 0.91 0.16 -0.10 0.00 -0.10 0.00 0.00 28.75 29.62 1npb h GLU 78 CO 0.08 -0.46 0.62 -1.35 -1.16 0.00 0.00 179.01 176.74 1npb h PRO 79 N -0.72 0.56 -0.16 2.33 0.11 -1.81 0.20 132.00 132.51 1npb h PRO 79 Ca -0.02 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 1npb h PRO 79 Cb 0.65 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 1npb h PRO 79 CO -0.06 0.37 -0.22 -0.07 -0.21 0.00 0.00 178.00 177.81 1npb h LEU 80 N 0.57 0.47 -0.51 2.35 4.07 -0.48 -0.56 115.31 121.22 1npb h LEU 80 Ca 0.57 -0.51 0.10 0.00 0.08 0.00 0.00 57.88 58.12 1npb h LEU 80 Cb 1.15 -0.13 -0.10 0.00 1.08 0.00 0.00 40.66 42.66 1npb h LEU 80 CO -0.32 0.89 -0.13 0.28 -1.08 0.00 0.00 178.44 178.08 1npb h SER 81 N 0.06 -0.48 -0.19 -0.43 0.02 -0.11 -1.12 113.55 111.30 1npb h SER 81 Ca 0.02 0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 61.00 1npb h SER 81 Cb 0.78 0.32 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1npb h SER 81 CO 0.05 -0.17 -0.30 1.56 -1.14 0.00 0.00 176.83 176.83 1npb h GLN 82 N -0.00 0.69 -0.55 3.45 1.08 -0.55 0.08 115.11 119.30 1npb h GLN 82 Ca 0.24 -0.31 -0.09 0.00 -1.45 0.00 0.00 58.65 57.05 1npb h GLN 82 Cb 0.38 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 1npb h GLN 82 CO -0.53 0.90 -0.02 -0.09 -0.95 0.00 0.00 178.83 178.15 1npb h ARG 83 N 0.59 0.96 -0.21 1.46 2.43 -0.56 -1.34 114.38 117.71 1npb h ARG 83 Ca 0.07 -0.30 -0.13 0.00 -0.81 0.00 0.00 59.98 58.81 1npb h ARG 83 Cb 0.80 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1npb h ARG 83 CO 0.07 0.96 -0.37 -0.07 -1.51 0.00 0.00 179.97 179.05 1npb h LEU 84 N 0.88 0.68 -0.61 3.80 4.07 -1.06 -1.76 115.31 121.32 1npb h LEU 84 Ca 0.16 -0.54 0.07 0.00 0.08 0.00 0.00 57.88 57.65 1npb h LEU 84 Cb 0.54 -0.20 -0.06 0.00 1.08 0.00 0.00 40.66 42.03 1npb h LEU 84 CO 0.03 1.09 0.30 -0.33 -1.08 0.00 0.00 178.44 178.45 1npb h GLU 85 N 0.30 0.53 0.00 1.13 5.08 -0.86 -1.41 114.58 119.35 1npb h GLU 85 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1npb h GLU 85 Cb 0.96 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1npb h GLU 85 CO 0.08 0.35 0.00 1.96 -1.00 0.00 0.00 179.01 180.40 1npb h GLN 86 N 0.55 0.00 -0.00 2.33 4.20 -1.15 -2.31 115.11 118.73 1npb h GLN 86 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1npb h GLN 86 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1npb h GLN 86 CO -0.22 0.00 -0.03 0.00 -0.67 0.00 0.00 178.83 177.91 1npb n ALA 87 N -1.97 2.60 -0.75 3.87 0.00 -0.55 -4.92 120.51 118.79 1npb n ALA 87 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1npb n ALA 87 Cb 0.31 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1npb n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1npb n GLY 88 N 1.23 0.61 3.61 0.00 0.00 -0.87 -5.04 105.19 104.74 1npb n GLY 88 Ca 0.16 -0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 1npb n GLY 88 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1npb n VAL 89 N -2.75 2.05 -3.08 1.61 0.31 -1.13 -4.97 118.33 110.38 1npb n VAL 89 Ca 0.00 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.42 1npb n VAL 89 Cb 0.00 -1.14 -0.06 0.00 -0.91 0.00 0.00 33.84 31.73 1npb n VAL 89 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1npb s THR 90 N -1.10 4.93 -0.22 2.52 2.01 -1.26 -4.87 115.64 117.64 1npb s THR 90 Ca 0.59 1.04 -0.26 0.00 0.31 0.00 0.00 61.69 63.36 1npb s THR 90 Cb -0.65 -4.00 -0.00 0.00 0.01 0.00 0.00 72.50 67.86 1npb s THR 90 CO 0.60 -0.09 0.91 -0.63 -0.69 0.00 0.00 174.62 174.72 1npb s ILE 91 N 2.63 4.79 -0.93 1.82 1.01 -1.26 -0.28 121.20 128.97 1npb s ILE 91 Ca 0.27 1.76 0.22 0.00 0.00 0.00 0.00 60.65 62.90 1npb s ILE 91 Cb -0.15 -4.20 -0.19 0.00 0.01 0.00 0.00 42.46 37.94 1npb s ILE 91 CO 0.10 -0.09 0.98 -2.67 0.00 0.00 0.00 174.94 173.27 1npb n TRP 92 N 5.91 0.02 -3.71 3.97 4.27 -0.65 -4.97 117.44 122.28 1npb n TRP 92 Ca 0.08 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.55 1npb n TRP 92 Cb 0.47 -0.09 -0.08 0.00 -1.36 0.00 0.00 31.31 30.25 1npb n TRP 92 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 1npb s LYS 93 N -3.03 0.72 -0.11 -2.67 2.20 -1.25 -5.05 119.74 110.55 1npb s LYS 93 Ca 0.08 0.01 -0.18 0.00 -0.36 0.00 0.00 55.97 55.51 1npb s LYS 93 Cb 0.16 0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 36.77 1npb s LYS 93 CO 0.84 -0.19 0.49 -1.14 -0.36 0.00 0.00 175.35 174.98 1npb s GLN 94 N -1.08 4.33 -0.01 4.03 0.74 -1.26 -4.38 119.66 122.03 1npb s GLN 94 Ca -0.11 0.48 -0.30 0.00 0.05 0.00 0.00 55.36 55.48 1npb s GLN 94 Cb -0.04 -3.42 -0.06 0.00 1.10 0.00 0.00 33.01 30.59 1npb s GLN 94 CO 0.05 0.19 1.61 1.21 -0.55 0.00 0.00 175.29 177.79 1npb s ASN 95 N 0.52 6.68 -0.02 6.67 3.04 -1.26 -4.82 114.94 125.75 1npb s ASN 95 Ca 0.27 2.29 0.01 0.00 0.04 0.00 0.00 52.86 55.46 1npb s ASN 95 Cb -0.15 -2.55 -0.02 0.00 -1.54 0.00 0.00 41.25 36.99 1npb s ASN 95 CO 0.11 -0.88 -0.00 0.29 -3.04 0.00 0.00 177.10 173.58 1npb n LYS 96 N 6.35 2.29 -1.76 0.43 5.02 -1.26 -4.89 118.16 124.34 1npb n LYS 96 Ca 0.16 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.13 1npb n LYS 96 Cb 0.42 -1.04 -0.06 0.00 -0.02 0.00 0.00 35.03 34.33 1npb n LYS 96 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1npb n SER 97 N -2.25 2.80 -0.15 4.39 3.41 -1.26 -4.89 113.62 115.66 1npb n SER 97 Ca -0.03 -2.68 0.00 0.00 -0.26 0.00 0.00 58.87 55.90 1npb n SER 97 Cb 0.54 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 1npb n SER 97 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1npb n GLU 98 N 7.93 0.00 0.00 4.33 4.07 -1.26 -4.56 120.64 131.16 1npb n GLU 98 Ca 0.46 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.56 1npb n GLU 98 Cb 0.45 -0.06 0.00 0.00 -0.06 0.00 0.00 31.44 31.76 1npb n GLU 98 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1npb n GLY 99 N 0.04 1.55 3.07 8.31 0.00 -1.26 -5.11 105.19 111.79 1npb n GLY 99 Ca 0.00 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 1npb n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1npb s ALA 100 N -3.23 2.61 -0.01 4.61 0.00 -1.26 -5.04 121.76 119.44 1npb s ALA 100 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.14 1npb s ALA 100 Cb 0.00 -1.63 0.02 0.00 0.00 0.00 0.00 23.12 21.50 1npb s ALA 100 CO 0.00 -1.24 0.02 -1.12 0.00 0.00 0.00 175.76 173.42 1npb s SER 101 N 1.10 0.04 -0.14 0.00 0.01 -1.26 -2.09 113.70 111.36 1npb s SER 101 Ca -0.07 0.02 -0.00 0.00 1.31 0.00 0.00 55.95 57.21 1npb s SER 101 Cb -0.20 -0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.01 1npb s SER 101 CO -0.05 -0.08 -0.09 0.12 0.41 0.00 0.00 173.24 173.55 1npb s PHE 102 N 0.68 1.74 -0.29 2.43 5.36 -0.32 -4.48 117.98 123.09 1npb s PHE 102 Ca -0.06 -0.96 -0.06 0.00 -0.96 0.00 0.00 56.93 54.88 1npb s PHE 102 Cb -0.08 -1.36 0.01 0.00 -0.34 0.00 0.00 43.02 41.25 1npb s PHE 102 CO -0.02 -0.58 0.07 0.71 -1.46 0.00 0.00 175.22 173.94 1npb s TYR 103 N 1.63 3.15 0.12 10.12 1.51 -1.26 -0.05 117.35 132.56 1npb s TYR 103 Ca 0.04 -1.04 0.00 0.00 -1.01 0.00 0.00 57.07 55.07 1npb s TYR 103 Cb -0.13 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.43 1npb s TYR 103 CO -0.09 -0.59 -0.01 -0.59 -1.11 0.00 0.00 175.55 173.16 1npb s PHE 104 N 1.48 0.89 0.08 2.71 -0.12 -0.71 -1.64 117.98 120.67 1npb s PHE 104 Ca 0.02 -1.06 0.00 0.00 -0.05 0.00 0.00 56.93 55.84 1npb s PHE 104 Cb -0.17 -0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 41.65 1npb s PHE 104 CO 0.02 -0.31 0.23 -0.51 -0.05 0.00 0.00 175.22 174.59 1npb s LEU 105 N -3.05 4.35 0.74 -1.99 1.43 0.61 -0.33 118.68 120.45 1npb s LEU 105 Ca 0.17 0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 53.47 1npb s LEU 105 Cb 0.07 -2.96 0.10 0.00 0.03 0.00 0.00 46.19 43.42 1npb s LEU 105 CO -0.02 0.14 1.05 1.51 0.23 0.00 0.00 176.35 179.26 1npb s ASP 106 N -2.65 4.47 0.54 2.29 -4.77 -0.02 -4.54 116.67 112.00 1npb s ASP 106 Ca 0.35 0.23 0.24 0.00 -3.30 0.00 0.00 52.55 50.07 1npb s ASP 106 Cb -0.13 -0.74 1.43 0.00 -1.09 0.00 0.00 42.92 42.40 1npb s ASP 106 CO 0.28 -1.81 2.05 -0.65 0.70 0.00 0.00 175.17 175.74 1npb h PRO 107 N -0.71 0.00 -0.27 2.11 0.11 -1.94 -0.59 132.00 130.71 1npb h PRO 107 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1npb h PRO 107 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1npb h PRO 107 CO 0.52 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.06 1npb n ASP 108 N -4.26 2.42 0.00 -2.05 8.00 -1.26 -4.86 116.55 114.54 1npb n ASP 108 Ca 0.05 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.71 1npb n ASP 108 Cb 0.45 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1npb n ASP 108 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1npb n GLY 109 N 1.28 0.80 3.71 0.44 0.00 -0.23 -1.47 105.19 109.73 1npb n GLY 109 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1npb n GLY 109 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1npb s HIS 110 N -2.15 2.76 -0.40 1.61 3.76 -1.26 -4.68 115.29 114.94 1npb s HIS 110 Ca 0.00 0.35 -0.29 0.00 -0.15 0.00 0.00 55.06 54.97 1npb s HIS 110 Cb 0.00 -4.07 0.02 0.00 1.11 0.00 0.00 32.58 29.64 1npb s HIS 110 CO 0.00 -4.13 1.13 0.15 -0.85 0.00 0.00 174.74 171.04 1npb s LYS 111 N 1.61 3.88 0.37 1.40 1.02 -1.26 -0.84 119.74 125.92 1npb s LYS 111 Ca 0.75 0.83 0.08 0.00 0.02 0.00 0.00 55.97 57.65 1npb s LYS 111 Cb -0.46 -3.83 -0.05 0.00 -0.52 0.00 0.00 37.83 32.97 1npb s LYS 111 CO 0.33 -1.16 0.14 -0.51 -0.92 0.00 0.00 175.35 173.22 1npb s LEU 112 N 4.13 3.16 -0.14 3.17 1.43 0.56 -1.20 118.68 129.78 1npb s LEU 112 Ca 0.48 -0.93 -0.14 0.00 -1.03 0.00 0.00 54.13 52.51 1npb s LEU 112 Cb -0.10 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.60 1npb s LEU 112 CO 0.24 -0.38 0.39 -0.70 0.23 0.00 0.00 176.35 176.13 1npb s GLU 113 N -3.85 0.48 -0.18 1.70 2.12 0.13 -1.74 118.70 117.36 1npb s GLU 113 Ca 0.39 0.50 -0.11 0.00 0.36 0.00 0.00 54.97 56.10 1npb s GLU 113 Cb 0.00 0.23 -0.05 0.00 0.26 0.00 0.00 34.13 34.57 1npb s GLU 113 CO 0.22 -0.06 0.18 -0.51 -0.54 0.00 0.00 175.26 174.55 1npb s LEU 114 N 0.10 4.24 -0.01 2.70 1.43 0.93 -0.09 118.68 127.98 1npb s LEU 114 Ca -0.01 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1npb s LEU 114 Cb -0.03 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1npb s LEU 114 CO 0.01 0.18 -0.04 -2.28 0.23 0.00 0.00 176.35 174.45 1npb s HIS 115 N 0.27 0.37 -0.19 0.29 2.46 0.14 -1.17 115.29 117.45 1npb s HIS 115 Ca 0.11 -0.07 -0.08 0.00 0.47 0.00 0.00 55.06 55.50 1npb s HIS 115 Cb -0.12 -0.26 -0.04 0.00 -0.13 0.00 0.00 32.58 32.03 1npb s HIS 115 CO 0.00 -0.02 0.07 0.08 -2.47 0.00 0.00 174.74 172.40 1npb s VAL 116 N 0.05 4.77 0.00 0.89 1.01 -0.89 -2.10 120.40 124.13 1npb s VAL 116 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1npb s VAL 116 Cb -0.03 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1npb s VAL 116 CO -0.00 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1npb n GLY 117 N 3.71 3.24 3.92 4.51 0.00 -1.26 -4.41 105.19 114.89 1npb n GLY 117 Ca -0.16 -1.56 -0.26 0.00 0.00 0.00 0.00 46.02 44.03 1npb n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1npb s SER 118 N 0.00 5.42 0.27 1.61 1.04 -1.26 -4.93 113.70 115.86 1npb s SER 118 Ca 0.00 0.64 0.01 0.00 0.48 0.00 0.00 55.95 57.08 1npb s SER 118 Cb 0.00 -1.56 0.61 0.00 0.10 0.00 0.00 66.02 65.17 1npb s SER 118 CO 0.00 -1.18 1.74 0.25 0.98 0.00 0.00 173.24 175.03 1npb h LEU 119 N -0.26 0.48 -0.45 2.42 5.85 -1.99 0.32 115.31 121.68 1npb h LEU 119 Ca -0.45 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.41 1npb h LEU 119 Cb 1.27 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 1npb h LEU 119 CO 0.60 0.15 0.24 0.00 -0.34 0.00 0.00 178.44 179.10 1npb h ALA 120 N 1.61 0.57 -0.68 1.25 0.00 -1.98 0.27 119.26 120.29 1npb h ALA 120 Ca 0.50 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.37 1npb h ALA 120 Cb 0.80 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1npb h ALA 120 CO -0.42 -0.09 0.25 0.00 0.00 0.00 0.00 179.25 178.99 1npb h ALA 121 N 1.22 0.89 0.14 0.00 0.00 -1.67 -0.21 119.26 119.64 1npb h ALA 121 Ca 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1npb h ALA 121 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1npb h ALA 121 CO -0.11 0.54 -0.12 -0.09 0.00 0.00 0.00 179.25 179.47 1npb h ARG 122 N 0.98 -0.27 -0.37 0.00 9.65 -0.58 -1.36 114.38 122.43 1npb h ARG 122 Ca 0.22 0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.17 1npb h ARG 122 Cb 0.25 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.87 1npb h ARG 122 CO -0.01 -0.18 0.25 -0.07 2.80 0.00 0.00 179.97 182.76 1npb h LEU 123 N -0.28 0.27 -0.15 3.80 3.38 -0.35 -0.41 115.31 121.57 1npb h LEU 123 Ca -0.00 -0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 1npb h LEU 123 Cb 0.26 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1npb h LEU 123 CO -0.02 0.18 -0.89 0.00 0.09 0.00 0.00 178.44 177.80 1npb h ALA 124 N 1.80 0.31 0.16 1.53 0.00 -0.60 -2.32 119.26 120.13 1npb h ALA 124 Ca 0.16 -0.66 0.01 0.00 0.00 0.00 0.00 54.91 54.43 1npb h ALA 124 Cb 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1npb h ALA 124 CO -0.03 0.73 -0.24 0.00 0.00 0.00 0.00 179.25 179.70 1npb h ALA 125 N 0.61 -0.43 -0.30 0.00 0.00 -0.92 -2.91 119.26 115.30 1npb h ALA 125 Ca -0.08 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1npb h ALA 125 Cb 1.52 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 1npb h ALA 125 CO 0.17 -0.78 0.20 0.00 0.00 0.00 0.00 179.25 178.84 1npb h ARG 127 N 0.28 0.48 0.12 0.00 3.08 -1.22 0.43 114.38 117.53 1npb h ARG 127 Ca 0.13 -0.09 -0.27 0.00 0.07 0.00 0.00 59.98 59.82 1npb h ARG 127 Cb 0.16 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1npb h ARG 127 CO -0.03 0.49 -1.21 0.93 -1.07 0.00 0.00 179.97 179.08 1npb h GLU 128 N 0.46 0.29 -2.49 0.04 4.39 -0.90 -3.39 114.58 112.99 1npb h GLU 128 Ca 0.10 -0.47 -0.59 0.00 0.34 0.00 0.00 59.36 58.75 1npb h GLU 128 Cb 0.27 0.17 -0.39 0.00 -0.10 0.00 0.00 28.75 28.71 1npb h GLU 128 CO 0.01 1.21 -0.91 0.15 -1.16 0.00 0.00 179.01 178.30 1npb s LYS 129 N -2.72 0.91 0.51 2.33 1.02 -0.70 -5.13 119.74 115.96 1npb s LYS 129 Ca -0.04 -1.97 -0.20 0.00 0.02 0.00 0.00 55.97 53.78 1npb s LYS 129 Cb 0.07 -1.53 -0.07 0.00 -0.52 0.00 0.00 37.83 35.77 1npb s LYS 129 CO 0.88 -1.33 1.07 -1.25 -0.92 0.00 0.00 175.35 173.81 1npb s PRO 130 N 0.25 3.62 0.71 -1.68 0.04 0.12 -4.51 135.00 133.54 1npb s PRO 130 Ca 0.28 1.46 -0.12 0.00 0.04 0.00 0.00 61.00 62.66 1npb s PRO 130 Cb -0.05 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.45 1npb s PRO 130 CO -0.14 -0.60 1.08 0.71 0.04 0.00 0.00 177.00 178.09 1npb s TYR 131 N -1.90 2.82 0.02 0.56 4.12 -1.26 -4.94 117.35 116.77 1npb s TYR 131 Ca 0.69 1.50 -0.36 0.00 0.02 0.00 0.00 57.07 58.93 1npb s TYR 131 Cb -0.19 -3.00 -0.15 0.00 -1.52 0.00 0.00 41.96 37.10 1npb s TYR 131 CO 0.23 -1.50 1.57 0.00 0.02 0.00 0.00 175.55 175.87 1npb n ALA 132 N -3.05 0.24 -0.98 3.71 0.00 -1.26 -1.53 120.51 117.65 1npb n ALA 132 Ca 0.09 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1npb n ALA 132 Cb 0.53 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1npb n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1npb n GLY 133 N 3.40 0.61 3.66 0.00 0.00 -1.26 -4.98 105.19 106.61 1npb n GLY 133 Ca 0.20 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.75 1npb n GLY 133 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1npb n MET 134 N -2.32 1.96 -4.22 1.61 1.56 -0.58 -4.98 117.12 110.16 1npb n MET 134 Ca 0.00 0.71 -0.23 0.00 -0.27 0.00 0.00 57.70 57.90 1npb n MET 134 Cb 0.04 -2.46 -0.17 0.00 2.15 0.00 0.00 33.22 32.78 1npb n MET 134 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 1npb s VAL 135 N 0.98 0.83 -0.13 1.12 1.01 -1.26 -5.00 120.40 117.95 1npb s VAL 135 Ca 0.80 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.41 1npb s VAL 135 Cb -0.73 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 1npb s VAL 135 CO 0.40 0.30 0.26 -0.36 0.00 0.00 0.00 175.10 175.71 1npb s PHE 136 N 1.09 3.53 0.00 5.22 0.40 -1.26 -5.20 117.98 121.77 1npb s PHE 136 Ca -0.07 0.62 0.00 0.00 -0.60 0.00 0.00 56.93 56.88 1npb s PHE 136 Cb -0.14 -2.22 0.00 0.00 0.51 0.00 0.00 43.02 41.16 1npb s PHE 136 CO -0.01 0.43 0.43 0.25 0.70 0.00 0.00 175.22 177.02