#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 4.46 0.03 -0.89 1.43 -1.26 -4.97 118.68 117.49 1npb s LEU 2 Ca 0.00 1.81 0.06 0.00 -1.03 0.00 0.00 54.13 54.98 1npb s LEU 2 Cb 0.00 -3.59 -0.23 0.00 0.03 0.00 0.00 46.19 42.40 1npb s LEU 2 CO 0.00 -0.15 0.94 1.56 0.23 0.00 0.00 176.35 178.93 1npb h GLN 3 N 5.84 0.06 -1.43 1.70 4.20 -2.10 -3.49 115.11 119.89 1npb h GLN 3 Ca -0.43 -0.11 0.37 0.00 0.06 0.00 0.00 58.65 58.55 1npb h GLN 3 Cb 1.21 0.04 -0.12 0.00 0.30 0.00 0.00 27.48 28.92 1npb h GLN 3 CO 0.73 0.84 0.94 -1.54 -0.67 0.00 0.00 178.83 179.13 1npb s SER 4 N -6.55 -0.02 0.08 1.46 1.04 -1.26 -5.10 113.70 103.35 1npb s SER 4 Ca -0.04 -0.07 -0.31 0.00 0.48 0.00 0.00 55.95 56.01 1npb s SER 4 Cb 0.08 0.07 -0.08 0.00 0.10 0.00 0.00 66.02 66.19 1npb s SER 4 CO 0.83 -0.13 1.57 -0.22 0.98 0.00 0.00 173.24 176.27 1npb s LEU 5 N -3.24 4.36 -0.16 2.42 2.96 -1.26 -4.93 118.68 118.83 1npb s LEU 5 Ca 0.19 2.44 -0.25 0.00 -0.22 0.00 0.00 54.13 56.29 1npb s LEU 5 Cb 0.05 -3.57 -0.22 0.00 0.50 0.00 0.00 46.19 42.95 1npb s LEU 5 CO -0.05 -0.83 0.54 -1.13 -1.32 0.00 0.00 176.35 173.56 1npb h ASN 6 N 7.81 0.00 -4.98 3.68 -0.73 -1.99 -3.48 115.58 115.90 1npb h ASN 6 Ca -0.42 -0.77 -0.03 0.00 1.87 0.00 0.00 56.30 56.96 1npb h ASN 6 Cb 1.20 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 39.65 1npb h ASN 6 CO 0.92 1.11 0.22 -1.38 -0.37 0.00 0.00 177.43 177.92 1npb s HIS 7 N -2.22 -0.57 -0.23 0.67 -3.43 -1.26 -4.29 115.29 103.95 1npb s HIS 7 Ca -0.21 0.56 -0.06 0.00 -0.80 0.00 0.00 55.06 54.55 1npb s HIS 7 Cb -0.00 0.51 -0.03 0.00 -1.43 0.00 0.00 32.58 31.64 1npb s HIS 7 CO 0.61 -0.76 0.04 -1.17 -2.00 0.00 0.00 174.74 171.46 1npb s LEU 8 N -2.27 3.36 -0.17 5.38 2.96 -0.51 -5.00 118.68 122.44 1npb s LEU 8 Ca -0.02 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.63 1npb s LEU 8 Cb -0.01 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 1npb s LEU 8 CO -0.06 -0.00 -0.00 -0.89 -1.32 0.00 0.00 176.35 174.07 1npb s THR 9 N 1.41 4.18 -0.14 3.68 2.01 -1.26 0.09 115.64 125.61 1npb s THR 9 Ca 0.05 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.80 1npb s THR 9 Cb -0.15 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.50 1npb s THR 9 CO 0.02 0.48 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.53 1npb s LEU 10 N 0.39 2.60 0.10 4.42 1.43 0.00 -4.96 118.68 122.65 1npb s LEU 10 Ca -0.02 -0.39 -0.31 0.00 -1.03 0.00 0.00 54.13 52.39 1npb s LEU 10 Cb -0.14 -1.58 -0.07 0.00 0.03 0.00 0.00 46.19 44.43 1npb s LEU 10 CO 0.02 0.14 1.34 0.00 0.23 0.00 0.00 176.35 178.08 1npb s ALA 11 N 0.50 3.54 0.19 4.21 0.00 -1.26 -1.27 121.76 127.67 1npb s ALA 11 Ca -0.10 1.04 0.07 0.00 0.00 0.00 0.00 51.96 52.97 1npb s ALA 11 Cb -0.16 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 1npb s ALA 11 CO 0.04 -0.58 -0.14 0.14 0.00 0.00 0.00 175.76 175.22 1npb s VAL 12 N 1.16 1.65 -0.14 0.00 -7.23 -0.09 -4.90 120.40 110.85 1npb s VAL 12 Ca 0.63 -2.16 0.19 0.00 -1.81 0.00 0.00 61.98 58.84 1npb s VAL 12 Cb -0.35 -1.99 -0.28 0.00 0.56 0.00 0.00 36.38 34.33 1npb s VAL 12 CO 0.30 -0.59 0.23 -1.54 -0.31 0.00 0.00 175.10 173.18 1npb n SER 13 N -0.29 0.03 -3.43 4.85 3.41 -1.26 -1.42 113.62 115.51 1npb n SER 13 Ca -0.09 0.01 -0.23 0.00 -0.26 0.00 0.00 58.87 58.30 1npb n SER 13 Cb 0.60 1.32 -0.11 0.00 -0.26 0.00 0.00 64.21 65.76 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 -5.17 2.30 0.22 4.04 -1.08 -1.26 -4.91 116.67 110.81 1npb s ASP 14 Ca -0.09 -1.64 -0.07 0.00 -0.52 0.00 0.00 52.55 50.22 1npb s ASP 14 Cb 0.09 0.05 0.29 0.00 -1.46 0.00 0.00 42.92 41.89 1npb s ASP 14 CO 0.86 -0.33 1.82 0.25 0.52 0.00 0.00 175.17 178.29 1npb h LEU 15 N 7.43 0.63 0.12 -1.34 5.85 -1.95 -1.23 115.31 124.82 1npb h LEU 15 Ca -0.01 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1npb h LEU 15 Cb 1.02 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1npb h LEU 15 CO 0.28 0.39 -0.14 -0.61 -0.34 0.00 0.00 178.44 178.03 1npb h GLN 16 N 0.76 -0.28 -0.72 1.25 5.75 -1.97 -0.05 115.11 119.85 1npb h GLN 16 Ca 0.34 0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.92 1npb h GLN 16 Cb 0.23 0.06 -0.06 0.00 1.07 0.00 0.00 27.48 28.78 1npb h GLN 16 CO -0.20 -0.18 0.40 0.87 -2.65 0.00 0.00 178.83 177.07 1npb h LYS 17 N -0.29 0.71 -0.49 1.69 1.57 -1.88 -1.00 116.57 116.88 1npb h LYS 17 Ca 0.01 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1npb h LYS 17 Cb 0.28 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1npb h LYS 17 CO -0.05 0.47 -0.12 0.77 -0.57 0.00 0.00 179.45 179.95 1npb h SER 18 N 0.73 0.95 -0.36 0.86 0.02 -0.94 -1.87 113.55 112.94 1npb h SER 18 Ca 0.33 -0.36 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1npb h SER 18 Cb 0.22 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1npb h SER 18 CO -0.20 1.09 0.00 0.58 -1.14 0.00 0.00 176.83 177.17 1npb h VAL 19 N 0.80 1.26 -0.70 2.27 2.07 -0.79 -0.03 116.25 121.13 1npb h VAL 19 Ca 0.12 -0.98 0.10 0.00 0.82 0.00 0.00 66.70 66.77 1npb h VAL 19 Cb 0.68 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.55 1npb h VAL 19 CO 0.05 0.33 0.32 0.74 0.02 0.00 0.00 177.57 179.02 1npb h THR 20 N 0.46 0.80 0.02 2.57 2.02 -1.04 0.11 112.91 117.84 1npb h THR 20 Ca 0.10 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1npb h THR 20 Cb 0.45 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1npb h THR 20 CO 0.02 0.10 -0.01 0.15 0.37 0.00 0.00 175.52 176.15 1npb h PHE 21 N 0.53 -0.02 -0.12 3.16 3.57 -0.85 0.10 116.94 123.31 1npb h PHE 21 Ca 0.35 -0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.62 1npb h PHE 21 Cb 0.42 0.01 0.01 0.00 2.79 0.00 0.00 35.95 39.18 1npb h PHE 21 CO -0.13 0.37 -0.84 -1.49 -2.23 0.00 0.00 178.31 173.99 1npb h TRP 22 N -0.41 1.06 0.01 0.41 4.06 -0.85 0.10 115.95 120.32 1npb h TRP 22 Ca -0.00 -0.49 -0.12 0.00 2.06 0.00 0.00 58.89 60.34 1npb h TRP 22 Cb 0.40 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.39 1npb h TRP 22 CO 0.06 1.32 -0.63 1.25 -3.56 0.00 0.00 178.44 176.89 1npb h HIS 23 N 0.51 0.03 0.00 0.49 2.76 -0.87 -1.13 115.15 116.93 1npb h HIS 23 Ca -0.07 -0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 57.97 1npb h HIS 23 Cb 1.47 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.41 1npb h HIS 23 CO 0.09 1.24 -0.61 1.49 -1.30 0.00 0.00 177.93 178.84 1npb h GLU 24 N -0.96 0.00 0.05 5.26 4.57 -0.88 -2.25 114.58 120.37 1npb h GLU 24 Ca -0.17 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1npb h GLU 24 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1npb h GLU 24 CO -0.09 0.91 -0.03 1.25 -1.18 0.00 0.00 179.01 179.87 1npb h LEU 25 N -1.00 -0.06 0.00 1.64 5.85 -1.18 -3.30 115.31 117.26 1npb h LEU 25 Ca -0.16 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.01 1npb h LEU 25 Cb 1.07 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1npb h LEU 25 CO -0.10 0.55 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.14 1npb h LEU 26 N -0.72 0.00 0.18 2.25 4.07 -1.07 -3.48 115.31 116.54 1npb h LEU 26 Ca -0.01 -0.04 -0.08 0.00 0.08 0.00 0.00 57.88 57.83 1npb h LEU 26 Cb 0.60 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.31 1npb h LEU 26 CO 0.01 0.02 -0.07 0.61 -1.08 0.00 0.00 178.44 177.93 1npb n GLY 27 N 1.21 0.67 3.75 0.83 0.00 -0.85 -4.96 105.19 105.85 1npb n GLY 27 Ca 0.03 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.85 3.57 0.00 0.99 1.02 -0.45 -4.96 118.68 118.00 1npb s LEU 28 Ca 0.00 2.32 -0.28 0.00 0.02 0.00 0.00 54.13 56.18 1npb s LEU 28 Cb 0.00 -4.59 -0.04 0.00 0.02 0.00 0.00 46.19 41.58 1npb s LEU 28 CO 0.00 -1.69 0.91 0.28 0.02 0.00 0.00 176.35 175.87 1npb s THR 29 N -1.77 4.86 -0.14 5.49 -1.32 -0.72 -4.45 115.64 117.57 1npb s THR 29 Ca 0.75 1.92 -0.22 0.00 -1.21 0.00 0.00 61.69 62.93 1npb s THR 29 Cb -0.28 -4.25 -0.03 0.00 -1.51 0.00 0.00 72.50 66.42 1npb s THR 29 CO 0.36 0.21 0.64 -0.22 -2.21 0.00 0.00 174.62 173.40 1npb s LEU 30 N 0.80 4.22 -0.21 9.08 2.96 -1.26 -0.90 118.68 133.37 1npb s LEU 30 Ca 0.48 0.97 0.02 0.00 -0.22 0.00 0.00 54.13 55.38 1npb s LEU 30 Cb -0.21 -2.95 -0.14 0.00 0.50 0.00 0.00 46.19 43.40 1npb s LEU 30 CO 0.26 -0.19 -0.18 1.41 -1.32 0.00 0.00 176.35 176.33 1npb n HIS 31 N 4.44 0.00 -3.61 5.38 8.25 -0.07 -4.99 115.22 124.61 1npb n HIS 31 Ca -0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 1npb n HIS 31 Cb 0.50 -0.81 -0.05 0.00 1.12 0.00 0.00 29.99 30.76 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 -2.42 -1.03 -0.12 -1.41 0.00 -1.13 -4.99 121.76 110.65 1npb s ALA 32 Ca -0.28 0.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.65 1npb s ALA 32 Cb 0.07 0.65 0.03 0.00 0.00 0.00 0.00 23.12 23.87 1npb s ALA 32 CO 0.49 -0.62 0.35 0.50 0.00 0.00 0.00 175.76 176.47 1npb s ARG 33 N -3.54 0.42 0.00 0.00 3.52 -1.26 -0.75 118.95 117.34 1npb s ARG 33 Ca 0.01 0.45 0.00 0.00 -0.13 0.00 0.00 55.73 56.06 1npb s ARG 33 Cb 0.01 0.21 0.00 0.00 -1.56 0.00 0.00 34.95 33.61 1npb s ARG 33 CO -0.10 -0.06 0.00 -2.67 -0.81 0.00 0.00 175.30 171.66 1npb n TRP 34 N 2.80 0.00 0.08 5.12 2.14 -0.24 -5.00 117.44 122.33 1npb n TRP 34 Ca -0.13 0.00 0.04 0.00 2.07 0.00 0.00 57.50 59.47 1npb n TRP 34 Cb 0.57 0.00 0.44 0.00 -0.81 0.00 0.00 31.31 31.52 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 0.33 0.00 -0.67 -0.26 -2.03 -3.27 115.58 109.68 1npb h ASN 35 Ca 0.00 -0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.68 1npb h ASN 35 Cb 0.00 -0.08 -0.07 0.00 -1.06 0.00 0.00 38.32 37.11 1npb h ASN 35 CO 0.00 0.31 -0.43 0.35 -1.06 0.00 0.00 177.43 176.60 1npb n THR 36 N -4.42 1.28 -3.91 2.81 -2.24 -1.26 -5.00 114.28 101.54 1npb n THR 36 Ca 0.01 -1.88 0.02 0.00 -2.27 0.00 0.00 64.05 59.93 1npb n THR 36 Cb 0.13 0.12 0.01 0.00 -2.10 0.00 0.00 70.33 68.49 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 -2.46 -0.19 0.01 3.38 0.00 -1.23 -1.22 107.32 105.61 1npb s GLY 37 Ca 0.28 0.18 -0.15 0.00 0.00 0.00 0.00 44.72 45.02 1npb s GLY 37 CO -0.04 4.42 0.32 0.00 0.00 0.00 0.00 173.10 177.80 1npb s ALA 38 N -2.10 -0.77 -0.14 3.20 0.00 0.07 -1.08 121.76 120.94 1npb s ALA 38 Ca 0.26 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.47 1npb s ALA 38 Cb 0.01 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 1npb s ALA 38 CO -0.01 -0.32 -0.17 0.71 0.00 0.00 0.00 175.76 175.97 1npb s TYR 39 N -1.77 2.74 0.17 0.00 4.12 0.07 -1.41 117.35 121.27 1npb s TYR 39 Ca -0.10 -0.95 0.03 0.00 0.02 0.00 0.00 57.07 56.07 1npb s TYR 39 Cb -0.03 -1.84 -0.05 0.00 -1.52 0.00 0.00 41.96 38.52 1npb s TYR 39 CO 0.02 -0.40 -0.05 -0.51 0.02 0.00 0.00 175.55 174.63 1npb s LEU 40 N 0.59 2.35 0.09 -1.29 1.02 0.51 -0.90 118.68 121.06 1npb s LEU 40 Ca -0.10 -1.10 0.07 0.00 0.02 0.00 0.00 54.13 53.03 1npb s LEU 40 Cb -0.16 -0.25 -0.03 0.00 0.02 0.00 0.00 46.19 45.77 1npb s LEU 40 CO 0.03 -0.44 -0.20 0.42 0.02 0.00 0.00 176.35 176.19 1npb s THR 41 N -3.44 1.59 -0.30 5.49 -4.23 -0.07 -0.10 115.64 114.57 1npb s THR 41 Ca 0.21 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1npb s THR 41 Cb 0.04 -1.45 0.09 0.00 1.34 0.00 0.00 72.50 72.53 1npb s THR 41 CO 0.03 -0.06 0.07 0.00 -0.54 0.00 0.00 174.62 174.11 1npb n GLY 43 N 4.74 3.21 0.00 0.00 0.00 -1.26 -0.90 105.19 110.98 1npb n GLY 43 Ca -0.03 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1npb n GLY 43 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1npb n ASP 44 N 3.79 0.00 -4.64 1.61 8.00 -1.26 -4.85 116.55 119.20 1npb n ASP 44 Ca 0.00 0.37 -0.42 0.00 0.71 0.00 0.00 54.79 55.45 1npb n ASP 44 Cb 0.00 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.62 1npb n ASP 44 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1npb s LEU 45 N -2.89 4.05 -0.21 0.64 2.96 -0.08 -5.03 118.68 118.13 1npb s LEU 45 Ca 0.11 1.01 -0.29 0.00 -0.22 0.00 0.00 54.13 54.74 1npb s LEU 45 Cb 0.12 -3.33 0.01 0.00 0.50 0.00 0.00 46.19 43.49 1npb s LEU 45 CO 0.31 -0.67 1.04 0.86 -1.32 0.00 0.00 176.35 176.57 1npb s TRP 46 N 3.16 3.36 -0.10 5.38 -0.00 -1.26 -1.07 118.94 128.42 1npb s TRP 46 Ca 0.39 1.49 0.03 0.00 -0.00 0.00 0.00 56.10 58.00 1npb s TRP 46 Cb -0.14 -3.26 -0.01 0.00 -0.00 0.00 0.00 33.47 30.06 1npb s TRP 46 CO 0.11 -0.45 -0.18 0.08 -0.00 0.00 0.00 176.95 176.50 1npb s VAL 47 N 3.03 2.61 -0.12 5.86 1.01 0.85 -1.42 120.40 132.22 1npb s VAL 47 Ca 0.45 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1npb s VAL 47 Cb -0.15 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1npb s VAL 47 CO 0.08 0.55 -0.21 0.00 0.00 0.00 0.00 175.10 175.52 1npb s LEU 49 N 0.57 4.05 -0.16 0.00 1.43 -0.50 -0.82 118.68 123.25 1npb s LEU 49 Ca -0.12 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1npb s LEU 49 Cb -0.17 -2.36 0.02 0.00 0.03 0.00 0.00 46.19 43.71 1npb s LEU 49 CO 0.04 -0.14 -0.15 -0.55 0.23 0.00 0.00 176.35 175.77 1npb s SER 50 N 1.59 2.79 0.21 2.29 0.15 -0.40 -0.75 113.70 119.57 1npb s SER 50 Ca 0.13 -0.52 -0.31 0.00 0.70 0.00 0.00 55.95 55.95 1npb s SER 50 Cb -0.16 -1.25 -0.10 0.00 -1.71 0.00 0.00 66.02 62.80 1npb s SER 50 CO 0.10 -0.04 1.55 -0.47 1.20 0.00 0.00 173.24 175.57 1npb s TYR 51 N 1.44 3.00 -0.12 3.44 5.04 -0.36 -0.92 117.35 128.87 1npb s TYR 51 Ca 0.05 0.74 -0.03 0.00 -2.44 0.00 0.00 57.07 55.39 1npb s TYR 51 Cb -0.13 -3.93 0.05 0.00 0.35 0.00 0.00 41.96 38.30 1npb s TYR 51 CO -0.11 -3.30 0.05 0.34 -1.34 0.00 0.00 175.55 171.19 1npb s ASP 52 N 0.84 1.99 0.57 4.32 -1.08 -0.50 -4.83 116.67 117.97 1npb s ASP 52 Ca 0.66 -0.37 0.41 0.00 -0.52 0.00 0.00 52.55 52.74 1npb s ASP 52 Cb -0.44 -0.32 1.54 0.00 -1.46 0.00 0.00 42.92 42.23 1npb s ASP 52 CO 0.37 -0.29 1.61 -0.08 0.52 0.00 0.00 175.17 177.31 1npb h GLU 53 N 8.37 0.00 -0.00 4.34 4.81 -1.94 0.26 114.58 130.42 1npb h GLU 53 Ca -0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1npb h GLU 53 Cb 1.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1npb h GLU 53 CO 0.26 0.00 -0.36 0.00 -0.73 0.00 0.00 179.01 178.18 1npb n ALA 54 N -2.73 3.22 -2.69 2.92 0.00 -1.26 -4.87 120.51 115.11 1npb n ALA 54 Ca 0.33 -0.31 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 1npb n ALA 54 Cb 1.64 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.90 4.35 0.44 0.00 6.06 0.08 -5.04 118.95 121.93 1npb s ARG 55 Ca 0.14 0.94 0.05 0.00 -2.50 0.00 0.00 55.73 54.36 1npb s ARG 55 Cb 0.18 -3.52 -0.06 0.00 0.06 0.00 0.00 34.95 31.61 1npb s ARG 55 CO 0.63 -0.16 0.01 -0.65 -2.50 0.00 0.00 175.30 172.64 1npb s GLN 56 N 1.57 2.01 0.19 5.12 1.11 -1.26 -4.51 119.66 123.89 1npb s GLN 56 Ca 0.38 -2.19 -0.31 0.00 0.01 0.00 0.00 55.36 53.24 1npb s GLN 56 Cb -0.17 -1.54 -0.10 0.00 -1.01 0.00 0.00 33.01 30.19 1npb s GLN 56 CO 0.15 -0.16 1.54 -0.47 0.01 0.00 0.00 175.29 176.36 1npb s TYR 57 N -2.81 3.04 -0.37 0.91 5.04 -1.26 -4.87 117.35 117.03 1npb s TYR 57 Ca 0.26 0.72 -0.06 0.00 -2.44 0.00 0.00 57.07 55.55 1npb s TYR 57 Cb 0.07 -3.91 0.07 0.00 0.35 0.00 0.00 41.96 38.54 1npb s TYR 57 CO 0.13 -3.25 0.16 0.08 -1.34 0.00 0.00 175.55 171.33 1npb s VAL 58 N 0.85 3.75 0.33 3.14 1.01 -0.40 -5.00 120.40 124.09 1npb s VAL 58 Ca 0.67 -1.43 -0.27 0.00 0.00 0.00 0.00 61.98 60.95 1npb s VAL 58 Cb -0.43 -3.27 -0.13 0.00 0.00 0.00 0.00 36.38 32.55 1npb s VAL 58 CO 0.34 -0.38 1.02 -2.65 0.00 0.00 0.00 175.10 173.43 1npb n PRO 59 N 4.78 1.40 0.26 2.72 -0.02 -1.26 -4.54 135.00 138.35 1npb n PRO 59 Ca -0.10 0.49 0.15 0.00 -2.02 0.00 0.00 63.50 62.03 1npb n PRO 59 Cb 0.43 -1.93 0.87 0.00 -0.02 0.00 0.00 33.50 32.85 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 1.89 0.00 -0.00 0.52 0.13 -1.92 0.91 132.00 133.53 1npb h PRO 60 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1npb h PRO 60 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1npb h PRO 60 CO 0.59 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.32 1npb n GLN 61 N -3.90 0.26 0.00 0.86 0.00 -1.26 -3.19 117.38 110.15 1npb n GLN 61 Ca -0.02 -0.03 0.11 0.00 0.00 0.00 0.00 57.00 57.06 1npb n GLN 61 Cb 0.16 -1.50 -0.01 0.00 0.00 0.00 0.00 30.24 28.89 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 -1.35 0.00 -4.34 2.61 1.02 0.31 -4.94 120.64 113.96 1npb n GLU 62 Ca 0.11 -0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 57.01 1npb n GLU 62 Cb 0.29 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.13 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 -3.00 4.24 0.21 1.62 1.04 -1.18 -4.99 113.70 111.64 1npb s SER 63 Ca 0.09 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.78 1npb s SER 63 Cb 0.16 -0.68 0.00 0.00 0.10 0.00 0.00 66.02 65.60 1npb s SER 63 CO 0.82 0.03 0.00 -0.90 0.98 0.00 0.00 173.24 174.17 1npb n ASP 64 N -0.69 0.00 -0.07 7.02 5.68 -1.26 -4.94 116.55 122.29 1npb n ASP 64 Ca -0.07 -0.41 0.15 0.00 -0.50 0.00 0.00 54.79 53.96 1npb n ASP 64 Cb 0.59 0.00 0.73 0.00 -1.14 0.00 0.00 41.12 41.30 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 -0.62 0.00 -1.67 2.11 9.36 -1.26 -4.82 117.16 120.25 1npb n TYR 65 Ca 0.00 0.00 -0.52 0.00 3.32 0.00 0.00 57.90 60.70 1npb n TYR 65 Cb 0.00 -0.16 -0.06 0.00 -0.63 0.00 0.00 39.34 38.49 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 -1.01 0.31 -3.71 2.97 -1.04 -1.26 -4.93 114.28 105.60 1npb n THR 66 Ca 0.17 -0.05 -0.10 0.00 -2.04 0.00 0.00 64.05 62.02 1npb n THR 66 Cb 0.23 -1.44 -0.06 0.00 -1.82 0.00 0.00 70.33 67.25 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 2.83 -0.10 -0.25 -1.42 -3.43 -1.26 -4.52 115.29 107.13 1npb s HIS 67 Ca 0.91 -0.19 -0.02 0.00 -0.80 0.00 0.00 55.06 54.96 1npb s HIS 67 Cb -0.86 0.15 0.03 0.00 -1.43 0.00 0.00 32.58 30.47 1npb s HIS 67 CO 0.53 -0.62 -0.06 0.71 -2.00 0.00 0.00 174.74 173.30 1npb s TYR 68 N -3.53 3.07 -0.08 0.38 1.51 -0.42 -5.00 117.35 113.28 1npb s TYR 68 Ca 0.02 -1.55 -0.07 0.00 -1.01 0.00 0.00 57.07 54.45 1npb s TYR 68 Cb 0.02 -2.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 1npb s TYR 68 CO -0.10 -0.73 0.19 0.00 -1.11 0.00 0.00 175.55 173.80 1npb s ALA 69 N 1.32 3.87 -0.03 3.71 0.00 -1.26 -0.85 121.76 128.52 1npb s ALA 69 Ca 0.00 -0.61 0.04 0.00 0.00 0.00 0.00 51.96 51.39 1npb s ALA 69 Cb -0.17 -2.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.94 1npb s ALA 69 CO -0.04 0.63 -0.15 -0.06 0.00 0.00 0.00 175.76 176.13 1npb s PHE 70 N -1.11 1.47 0.07 0.00 0.40 1.00 -4.92 117.98 114.88 1npb s PHE 70 Ca 0.19 -0.35 -0.30 0.00 -0.60 0.00 0.00 56.93 55.87 1npb s PHE 70 Cb -0.13 -0.97 -0.05 0.00 0.51 0.00 0.00 43.02 42.38 1npb s PHE 70 CO 0.09 -0.09 1.00 0.99 0.70 0.00 0.00 175.22 177.91 1npb s THR 71 N -0.13 4.55 0.16 0.64 2.01 -1.26 -1.70 115.64 119.90 1npb s THR 71 Ca 0.01 1.98 0.09 0.00 0.31 0.00 0.00 61.69 64.08 1npb s THR 71 Cb -0.09 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 1npb s THR 71 CO 0.01 0.24 -0.20 0.68 -0.69 0.00 0.00 174.62 174.66 1npb s VAL 72 N 0.46 1.87 0.88 3.82 -7.23 -1.00 -4.92 120.40 114.29 1npb s VAL 72 Ca 0.50 -1.86 -0.11 0.00 -1.81 0.00 0.00 61.98 58.71 1npb s VAL 72 Cb -0.23 -1.83 0.12 0.00 0.56 0.00 0.00 36.38 35.00 1npb s VAL 72 CO 0.29 -0.23 1.11 0.00 -0.31 0.00 0.00 175.10 175.96 1npb s ALA 73 N -1.81 1.60 0.07 1.32 0.00 -1.26 -4.41 121.76 117.27 1npb s ALA 73 Ca 0.14 0.28 -0.15 0.00 0.00 0.00 0.00 51.96 52.24 1npb s ALA 73 Cb -0.07 -3.32 -0.21 0.00 0.00 0.00 0.00 23.12 19.53 1npb s ALA 73 CO 0.07 -2.41 1.22 1.49 0.00 0.00 0.00 175.76 176.12 1npb h GLU 74 N -1.60 0.69 0.00 0.00 4.81 -2.00 -2.70 114.58 113.77 1npb h GLU 74 Ca -0.46 -0.67 -0.02 0.00 -0.13 0.00 0.00 59.36 58.08 1npb h GLU 74 Cb 1.26 0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.81 1npb h GLU 74 CO 0.48 1.26 -0.11 0.93 -0.73 0.00 0.00 179.01 180.84 1npb h GLU 75 N 0.36 0.00 0.00 1.92 3.07 -2.05 -2.88 114.58 115.00 1npb h GLU 75 Ca -0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1npb h GLU 75 Cb 1.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.44 1npb h GLU 75 CO 0.17 0.11 -0.22 -0.44 -1.40 0.00 0.00 179.01 177.23 1npb h ASP 76 N 0.00 0.00 0.33 1.42 5.19 -1.85 -3.41 116.42 118.10 1npb h ASP 76 Ca -0.00 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 1npb h ASP 76 Cb 0.43 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.95 1npb h ASP 76 CO 0.01 0.01 -0.16 0.15 -3.12 0.00 0.00 179.24 176.13 1npb h PHE 77 N 0.00 -0.41 -0.18 4.55 3.57 -1.27 0.14 116.94 123.33 1npb h PHE 77 Ca 0.00 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1npb h PHE 77 Cb 0.94 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.74 1npb h PHE 77 CO 0.00 -0.26 -0.40 0.93 -2.23 0.00 0.00 178.31 176.35 1npb h GLU 78 N -0.48 -0.43 -0.39 1.11 4.39 -1.82 0.24 114.58 117.21 1npb h GLU 78 Ca -0.05 0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 1npb h GLU 78 Cb 0.34 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1npb h GLU 78 CO 0.08 -0.28 0.01 -1.35 -1.16 0.00 0.00 179.01 176.30 1npb h PRO 79 N -0.44 0.61 -0.14 2.33 0.11 -1.79 -0.91 132.00 131.77 1npb h PRO 79 Ca 0.09 -0.14 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1npb h PRO 79 Cb 0.60 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 1npb h PRO 79 CO -0.42 0.62 -0.01 1.25 -0.21 0.00 0.00 178.00 179.23 1npb h LEU 80 N 0.58 0.24 -0.64 2.35 5.85 -0.24 -2.07 115.31 121.39 1npb h LEU 80 Ca 0.12 -0.33 0.10 0.00 0.84 0.00 0.00 57.88 58.62 1npb h LEU 80 Cb 0.35 -0.07 -0.12 0.00 0.37 0.00 0.00 40.66 41.20 1npb h LEU 80 CO 0.01 0.51 -0.40 0.28 -0.34 0.00 0.00 178.44 178.51 1npb h SER 81 N -0.03 -1.38 0.43 1.25 0.02 0.33 0.12 113.55 114.30 1npb h SER 81 Ca 0.04 0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 61.16 1npb h SER 81 Cb 0.39 0.66 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 1npb h SER 81 CO 0.01 -0.32 -0.34 1.56 -1.14 0.00 0.00 176.83 176.60 1npb h GLN 82 N -0.17 0.00 -0.12 3.45 1.08 -1.20 0.24 115.11 118.38 1npb h GLN 82 Ca 0.22 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.22 1npb h GLN 82 Cb 0.56 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1npb h GLN 82 CO -0.72 0.34 -0.72 -0.09 -0.95 0.00 0.00 178.83 176.68 1npb h ARG 83 N 0.00 0.57 -0.07 1.46 1.12 -0.44 0.10 114.38 117.12 1npb h ARG 83 Ca -0.00 -0.45 -0.01 0.00 -1.11 0.00 0.00 59.98 58.40 1npb h ARG 83 Cb 0.65 0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 30.69 1npb h ARG 83 CO 0.04 1.07 -0.01 -0.07 -3.11 0.00 0.00 179.97 177.90 1npb h LEU 84 N 0.40 0.14 -0.74 3.80 4.07 -0.10 -1.43 115.31 121.45 1npb h LEU 84 Ca -0.03 -0.36 0.11 0.00 0.08 0.00 0.00 57.88 57.68 1npb h LEU 84 Cb 1.31 -0.04 -0.08 0.00 1.08 0.00 0.00 40.66 42.93 1npb h LEU 84 CO 0.13 0.46 0.35 -0.33 -1.08 0.00 0.00 178.44 177.97 1npb h GLU 85 N -0.19 0.54 -0.01 1.13 5.08 -0.43 -0.80 114.58 119.91 1npb h GLU 85 Ca 0.02 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1npb h GLU 85 Cb 0.40 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1npb h GLU 85 CO 0.01 0.36 -0.36 0.37 -1.00 0.00 0.00 179.01 178.39 1npb h GLN 86 N 0.56 0.01 0.00 2.33 5.75 -0.71 -1.42 115.11 121.63 1npb h GLN 86 Ca 0.38 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.87 1npb h GLN 86 Cb 0.47 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.02 1npb h GLN 86 CO -0.32 0.37 0.00 0.00 -2.65 0.00 0.00 178.83 176.23 1npb n ALA 87 N -2.47 2.43 -1.52 3.38 0.00 -0.33 -4.88 120.51 117.12 1npb n ALA 87 Ca -0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.22 1npb n ALA 87 Cb 0.40 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 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 0.57 0.52 3.75 0.00 0.00 -0.53 -5.02 105.19 104.48 1npb n GLY 88 Ca 0.19 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 1npb n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1npb s VAL 89 N -2.21 2.02 -0.04 1.61 1.01 -1.13 -5.00 120.40 116.66 1npb s VAL 89 Ca 0.00 0.02 -0.22 0.00 0.00 0.00 0.00 61.98 61.78 1npb s VAL 89 Cb 0.00 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1npb s VAL 89 CO 0.00 -0.00 0.65 -0.89 0.00 0.00 0.00 175.10 174.86 1npb s THR 90 N -1.30 4.98 -0.18 3.92 2.01 -1.26 -4.85 115.64 118.96 1npb s THR 90 Ca 0.73 1.35 -0.16 0.00 0.31 0.00 0.00 61.69 63.92 1npb s THR 90 Cb -0.41 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 1npb s THR 90 CO 0.48 0.33 0.41 -0.63 -0.69 0.00 0.00 174.62 174.51 1npb s ILE 91 N 0.35 5.20 -1.49 1.82 1.01 -1.26 -1.13 121.20 125.70 1npb s ILE 91 Ca 0.34 0.74 0.15 0.00 0.00 0.00 0.00 60.65 61.89 1npb s ILE 91 Cb -0.18 -3.74 0.03 0.00 0.01 0.00 0.00 42.46 38.58 1npb s ILE 91 CO 0.18 0.27 0.85 -2.67 0.00 0.00 0.00 174.94 173.57 1npb n TRP 92 N 4.27 0.00 -3.60 3.97 4.27 -0.76 -4.97 117.44 120.62 1npb n TRP 92 Ca -0.08 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.37 1npb n TRP 92 Cb 0.51 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.39 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 -1.67 0.90 -0.08 -2.67 2.20 -1.26 -5.04 119.74 112.12 1npb s LYS 93 Ca 0.14 0.74 -0.22 0.00 -0.36 0.00 0.00 55.97 56.27 1npb s LYS 93 Cb 0.12 0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 36.84 1npb s LYS 93 CO 0.33 -0.17 0.63 -1.14 -0.36 0.00 0.00 175.35 174.63 1npb s GLN 94 N -0.15 4.41 -0.37 4.03 0.74 -1.26 -4.43 119.66 122.63 1npb s GLN 94 Ca -0.04 0.74 -0.28 0.00 0.05 0.00 0.00 55.36 55.83 1npb s GLN 94 Cb -0.03 -3.44 -0.01 0.00 1.10 0.00 0.00 33.01 30.62 1npb s GLN 94 CO 0.04 0.09 1.72 1.21 -0.55 0.00 0.00 175.29 177.80 1npb s ASN 95 N 0.74 5.94 0.00 6.67 2.47 -1.26 -4.82 114.94 124.68 1npb s ASN 95 Ca 0.34 1.12 0.17 0.00 0.42 0.00 0.00 52.86 54.91 1npb s ASN 95 Cb -0.17 -2.53 -0.09 0.00 -1.45 0.00 0.00 41.25 37.02 1npb s ASN 95 CO 0.15 -1.70 0.81 0.29 -3.72 0.00 0.00 177.10 172.93 1npb n LYS 96 N 8.41 1.57 -0.83 0.43 5.02 -1.26 -4.98 118.16 126.52 1npb n LYS 96 Ca 0.21 -0.46 -0.30 0.00 -2.02 0.00 0.00 58.31 55.74 1npb n LYS 96 Cb 0.47 -1.30 0.27 0.00 -0.02 0.00 0.00 35.03 34.45 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 -0.70 -2.68 -0.74 4.39 3.41 -1.26 -5.00 113.62 111.04 1npb n SER 97 Ca 0.05 -1.10 0.10 0.00 -0.26 0.00 0.00 58.87 57.66 1npb n SER 97 Cb 0.32 -1.01 0.07 0.00 -0.26 0.00 0.00 64.21 63.32 1npb n SER 97 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1npb n GLU 98 N -5.15 1.68 -2.90 4.33 1.02 -1.26 -4.96 120.64 113.40 1npb n GLU 98 Ca 0.15 -1.57 -0.21 0.00 -0.02 0.00 0.00 57.16 55.51 1npb n GLU 98 Cb 0.60 -1.37 0.08 0.00 -0.02 0.00 0.00 31.44 30.73 1npb n GLU 98 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1npb s GLY 99 N -1.67 1.73 -0.38 0.62 0.00 -1.26 -5.08 107.32 101.28 1npb s GLY 99 Ca 0.22 -2.06 -0.13 0.00 0.00 0.00 0.00 44.72 42.75 1npb s GLY 99 CO 0.27 -1.55 0.25 0.00 0.00 0.00 0.00 173.10 172.07 1npb s ALA 100 N -2.84 3.41 -0.07 3.20 0.00 -1.26 -5.03 121.76 119.18 1npb s ALA 100 Ca 0.64 -1.62 -0.04 0.00 0.00 0.00 0.00 51.96 50.94 1npb s ALA 100 Cb -0.05 -2.71 0.03 0.00 0.00 0.00 0.00 23.12 20.39 1npb s ALA 100 CO 0.41 -1.29 0.16 -1.12 0.00 0.00 0.00 175.76 173.92 1npb s SER 101 N 1.65 -0.14 -0.11 0.00 0.01 -1.26 -1.84 113.70 112.00 1npb s SER 101 Ca 0.04 0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.63 1npb s SER 101 Cb -0.19 0.24 0.02 0.00 0.21 0.00 0.00 66.02 66.31 1npb s SER 101 CO 0.09 -0.13 -0.10 0.12 0.41 0.00 0.00 173.24 173.63 1npb s PHE 102 N 0.93 1.63 -0.27 2.43 5.36 -0.27 -4.53 117.98 123.27 1npb s PHE 102 Ca -0.07 -0.82 -0.07 0.00 -0.96 0.00 0.00 56.93 55.01 1npb s PHE 102 Cb -0.09 -1.29 -0.01 0.00 -0.34 0.00 0.00 43.02 41.29 1npb s PHE 102 CO -0.05 -0.51 0.07 0.71 -1.46 0.00 0.00 175.22 173.98 1npb s TYR 103 N 1.50 3.10 0.08 10.12 1.51 -1.26 -0.90 117.35 131.51 1npb s TYR 103 Ca 0.02 -0.71 -0.07 0.00 -1.01 0.00 0.00 57.07 55.29 1npb s TYR 103 Cb -0.13 -2.24 -0.01 0.00 -0.11 0.00 0.00 41.96 39.47 1npb s TYR 103 CO -0.07 -0.48 0.15 -0.59 -1.11 0.00 0.00 175.55 173.46 1npb s PHE 104 N 1.55 0.21 -0.00 2.71 -0.12 -0.41 -1.83 117.98 120.10 1npb s PHE 104 Ca 0.05 -0.65 -0.01 0.00 -0.05 0.00 0.00 56.93 56.27 1npb s PHE 104 Cb -0.16 -0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.08 1npb s PHE 104 CO 0.03 -0.51 0.12 -0.51 -0.05 0.00 0.00 175.22 174.30 1npb s LEU 105 N -2.81 4.07 0.90 -1.99 1.43 -0.29 -0.41 118.68 119.58 1npb s LEU 105 Ca 0.05 0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 53.22 1npb s LEU 105 Cb 0.05 -2.40 0.15 0.00 0.03 0.00 0.00 46.19 44.02 1npb s LEU 105 CO -0.10 0.27 1.26 1.51 0.23 0.00 0.00 176.35 179.51 1npb s ASP 106 N -1.83 3.69 0.54 2.29 -4.77 -0.67 -4.47 116.67 111.46 1npb s ASP 106 Ca 0.25 0.47 0.26 0.00 -3.30 0.00 0.00 52.55 50.23 1npb s ASP 106 Cb -0.12 -0.70 1.42 0.00 -1.09 0.00 0.00 42.92 42.43 1npb s ASP 106 CO 0.16 -2.39 2.00 -0.65 0.70 0.00 0.00 175.17 174.99 1npb h PRO 107 N -1.39 0.00 -0.03 2.11 0.11 -1.93 -0.15 132.00 130.72 1npb h PRO 107 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1npb h PRO 107 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1npb h PRO 107 CO 0.49 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.03 1npb n ASP 108 N -4.28 2.25 0.00 -2.05 8.00 -1.26 -4.88 116.55 114.33 1npb n ASP 108 Ca 0.09 -1.75 0.00 0.00 0.71 0.00 0.00 54.79 53.84 1npb n ASP 108 Cb 0.57 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 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 1.26 0.37 3.65 0.44 0.00 -0.07 -1.27 105.19 109.58 1npb n GLY 109 Ca 0.17 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.72 1npb n GLY 109 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1npb n HIS 110 N -1.92 2.04 -2.90 1.61 8.25 -1.26 -4.67 115.22 116.38 1npb n HIS 110 Ca 0.00 0.41 -0.42 0.00 -0.26 0.00 0.00 57.72 57.46 1npb n HIS 110 Cb 0.00 -2.46 -0.04 0.00 1.12 0.00 0.00 29.99 28.61 1npb n HIS 110 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1npb s LYS 111 N 0.29 4.24 0.41 -0.41 1.02 -1.26 -1.66 119.74 122.36 1npb s LYS 111 Ca 0.75 0.97 0.06 0.00 0.02 0.00 0.00 55.97 57.78 1npb s LYS 111 Cb -0.72 -3.61 -0.07 0.00 -0.52 0.00 0.00 37.83 32.91 1npb s LYS 111 CO 0.44 -0.42 0.02 -0.51 -0.92 0.00 0.00 175.35 173.96 1npb s LEU 112 N 2.48 2.70 -0.20 3.17 1.43 0.46 -1.30 118.68 127.43 1npb s LEU 112 Ca 0.36 -1.40 -0.13 0.00 -1.03 0.00 0.00 54.13 51.93 1npb s LEU 112 Cb -0.16 -0.79 0.06 0.00 0.03 0.00 0.00 46.19 45.33 1npb s LEU 112 CO 0.10 -0.52 0.50 -0.70 0.23 0.00 0.00 176.35 175.95 1npb s GLU 113 N -3.75 0.51 -0.09 1.70 2.12 -0.03 -1.28 118.70 117.87 1npb s GLU 113 Ca 0.32 0.87 -0.22 0.00 0.36 0.00 0.00 54.97 56.30 1npb s GLU 113 Cb 0.09 0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.53 1npb s GLU 113 CO 0.16 -0.14 0.65 -0.51 -0.54 0.00 0.00 175.26 174.88 1npb s LEU 114 N 1.20 4.29 -0.01 2.70 1.43 -0.07 -0.00 118.68 128.20 1npb s LEU 114 Ca -0.07 1.07 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 1npb s LEU 114 Cb -0.06 -2.98 0.02 0.00 0.03 0.00 0.00 46.19 43.19 1npb s LEU 114 CO -0.11 -0.11 0.01 -2.28 0.23 0.00 0.00 176.35 174.08 1npb s HIS 115 N 0.90 0.10 -0.23 0.29 2.46 -0.69 -1.11 115.29 117.01 1npb s HIS 115 Ca 0.34 0.05 -0.09 0.00 0.47 0.00 0.00 55.06 55.83 1npb s HIS 115 Cb -0.17 -0.20 -0.04 0.00 -0.13 0.00 0.00 32.58 32.04 1npb s HIS 115 CO 0.15 -0.06 0.12 0.08 -2.47 0.00 0.00 174.74 172.56 1npb s VAL 116 N 0.65 4.99 0.00 0.89 1.01 -0.77 -2.36 120.40 124.81 1npb s VAL 116 Ca -0.06 0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1npb s VAL 116 Cb -0.08 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1npb s VAL 116 CO -0.02 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1npb n GLY 117 N 4.21 3.69 3.93 4.51 0.00 -1.26 -4.34 105.19 115.93 1npb n GLY 117 Ca -0.16 -1.52 -0.26 0.00 0.00 0.00 0.00 46.02 44.08 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 4.84 0.17 1.61 1.04 -1.26 -4.94 113.70 115.17 1npb s SER 118 Ca 0.00 0.48 -0.17 0.00 0.48 0.00 0.00 55.95 56.74 1npb s SER 118 Cb 0.00 -1.14 0.11 0.00 0.10 0.00 0.00 66.02 65.09 1npb s SER 118 CO 0.00 -1.58 1.66 0.25 0.98 0.00 0.00 173.24 174.55 1npb h LEU 119 N -0.59 -0.46 -0.96 2.42 5.85 -2.00 -2.04 115.31 117.52 1npb h LEU 119 Ca -0.44 0.13 0.16 0.00 0.84 0.00 0.00 57.88 58.57 1npb h LEU 119 Cb 1.31 0.29 -0.10 0.00 0.37 0.00 0.00 40.66 42.53 1npb h LEU 119 CO 0.60 -0.16 0.57 0.00 -0.34 0.00 0.00 178.44 179.11 1npb h ALA 120 N 1.36 1.53 -0.27 1.25 0.00 -1.99 0.09 119.26 121.23 1npb h ALA 120 Ca 0.20 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1npb h ALA 120 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1npb h ALA 120 CO -0.45 0.00 -0.15 0.00 0.00 0.00 0.00 179.25 178.65 1npb h ALA 121 N 1.60 0.38 -0.08 0.00 0.00 -1.82 -1.14 119.26 118.19 1npb h ALA 121 Ca 0.53 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1npb h ALA 121 Cb 0.74 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1npb h ALA 121 CO -0.35 0.27 -0.07 -0.09 0.00 0.00 0.00 179.25 179.01 1npb h ARG 122 N 0.31 -0.09 -0.39 0.00 9.65 -0.59 -0.81 114.38 122.46 1npb h ARG 122 Ca 0.06 0.01 0.08 0.00 -1.10 0.00 0.00 59.98 59.03 1npb h ARG 122 Cb 0.67 0.02 -0.09 0.00 -1.39 0.00 0.00 29.97 29.18 1npb h ARG 122 CO 0.04 -0.06 -0.24 -0.07 2.80 0.00 0.00 179.97 182.44 1npb h LEU 123 N -0.09 -0.82 -0.62 3.80 3.38 -1.00 0.33 115.31 120.29 1npb h LEU 123 Ca 0.06 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1npb h LEU 123 Cb 0.17 0.41 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1npb h LEU 123 CO -0.14 -0.27 0.34 0.00 0.09 0.00 0.00 178.44 178.47 1npb h ALA 124 N 1.00 0.80 -0.39 1.53 0.00 -0.78 0.20 119.26 121.62 1npb h ALA 124 Ca 0.19 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1npb h ALA 124 Cb 0.47 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1npb h ALA 124 CO -0.50 0.32 0.18 0.00 0.00 0.00 0.00 179.25 179.25 1npb h ALA 125 N 1.16 0.48 -0.42 0.00 0.00 -0.75 -2.40 119.26 117.32 1npb h ALA 125 Ca 0.22 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1npb h ALA 125 Cb 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1npb h ALA 125 CO -0.04 -0.19 0.29 0.00 0.00 0.00 0.00 179.25 179.31 1npb h ARG 127 N 0.36 1.16 -0.19 0.00 2.47 -0.14 -0.91 114.38 117.14 1npb h ARG 127 Ca 0.18 -0.25 -0.17 0.00 -1.26 0.00 0.00 59.98 58.49 1npb h ARG 127 Cb 0.27 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.42 1npb h ARG 127 CO -0.04 0.98 -0.58 0.93 0.56 0.00 0.00 179.97 181.82 1npb h GLU 128 N 1.11 0.60 -1.90 0.04 4.39 -1.16 -3.39 114.58 114.27 1npb h GLU 128 Ca 0.24 -0.39 -0.53 0.00 0.34 0.00 0.00 59.36 59.02 1npb h GLU 128 Cb 0.30 0.05 -0.36 0.00 -0.10 0.00 0.00 28.75 28.64 1npb h GLU 128 CO -0.01 1.01 -1.02 1.17 -1.16 0.00 0.00 179.01 179.00 1npb n LYS 129 N -3.95 0.59 -2.19 2.33 4.81 -0.25 -5.12 118.16 114.37 1npb n LYS 129 Ca -0.04 -3.06 -0.35 0.00 -0.87 0.00 0.00 58.31 53.99 1npb n LYS 129 Cb 0.63 -1.34 0.01 0.00 0.02 0.00 0.00 35.03 34.34 1npb n LYS 129 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1npb s PRO 130 N -0.70 3.26 0.72 1.64 0.04 -0.35 -4.55 135.00 135.06 1npb s PRO 130 Ca 0.34 1.62 -0.11 0.00 0.04 0.00 0.00 61.00 62.90 1npb s PRO 130 Cb 0.14 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.71 1npb s PRO 130 CO -0.14 -0.93 1.07 0.71 0.04 0.00 0.00 177.00 177.76 1npb s TYR 131 N -1.79 2.95 0.24 0.56 4.12 -1.26 -4.96 117.35 117.20 1npb s TYR 131 Ca 0.73 1.44 -0.31 0.00 0.02 0.00 0.00 57.07 58.95 1npb s TYR 131 Cb -0.24 -2.94 -0.13 0.00 -1.52 0.00 0.00 41.96 37.13 1npb s TYR 131 CO 0.29 -1.42 1.56 0.00 0.02 0.00 0.00 175.55 176.00 1npb n ALA 132 N -3.26 1.98 -1.02 3.71 0.00 -1.26 -1.87 120.51 118.79 1npb n ALA 132 Ca 0.08 0.40 -0.01 0.00 0.00 0.00 0.00 53.44 53.91 1npb n ALA 132 Cb 0.54 -2.40 -0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 2.73 0.42 3.68 0.00 0.00 -1.26 -4.96 105.19 105.81 1npb n GLY 133 Ca 0.12 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.04 2.70 -5.14 1.61 1.56 -0.78 -5.00 117.12 110.02 1npb n MET 134 Ca -0.01 0.98 -0.32 0.00 -0.27 0.00 0.00 57.70 58.08 1npb n MET 134 Cb 0.14 -2.87 -0.16 0.00 2.15 0.00 0.00 33.22 32.48 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 2.97 2.25 -0.19 1.12 1.01 -1.26 -5.02 120.40 121.29 1npb s VAL 135 Ca 0.84 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 1npb s VAL 135 Cb -0.51 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 1npb s VAL 135 CO 0.39 0.56 0.06 -0.36 0.00 0.00 0.00 175.10 175.76 1npb s PHE 136 N 0.24 3.24 0.42 5.22 0.40 -1.26 -5.01 117.98 121.23 1npb s PHE 136 Ca -0.14 0.05 0.11 0.00 -0.60 0.00 0.00 56.93 56.34 1npb s PHE 136 Cb -0.17 -2.09 0.90 0.00 0.51 0.00 0.00 43.02 42.18 1npb s PHE 136 CO 0.07 0.13 1.99 1.15 0.70 0.00 0.00 175.22 179.26 1npb h THR 137 N 4.91 1.13 -0.26 0.64 2.02 -2.05 -3.36 112.91 115.93 1npb h THR 137 Ca -0.37 -0.51 -0.05 0.00 0.77 0.00 0.00 66.41 66.25 1npb h THR 137 Cb 1.17 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1npb h THR 137 CO 0.70 0.17 0.16 -0.94 0.37 0.00 0.00 175.52 175.97 1npb s SER 138 N -6.89 3.79 0.00 4.18 1.04 -1.26 -4.48 113.70 110.09 1npb s SER 138 Ca -0.06 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1npb s SER 138 Cb 0.16 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1npb s SER 138 CO 0.72 -4.23 0.00 0.47 0.98 0.00 0.00 173.24 171.18 1npb n ASP 139 N 18.66 0.00 0.00 7.02 10.43 -1.26 -5.24 116.55 146.16 1npb n ASP 139 Ca 0.43 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.80 1npb n ASP 139 Cb 0.46 0.00 0.02 0.00 1.84 0.00 0.00 41.12 43.43 1npb n ASP 139 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51