#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 4.24 0.04 3.17 1.43 -1.26 -5.01 118.68 121.30 1npb s LEU 2 Ca 0.00 0.59 0.06 0.00 -1.03 0.00 0.00 54.13 53.74 1npb s LEU 2 Cb 0.00 -2.47 -0.23 0.00 0.03 0.00 0.00 46.19 43.52 1npb s LEU 2 CO 0.00 0.06 0.99 1.56 0.23 0.00 0.00 176.35 179.19 1npb h GLN 3 N 6.74 0.07 -1.37 1.70 4.20 -2.10 -3.49 115.11 120.85 1npb h GLN 3 Ca -0.41 -0.12 0.37 0.00 0.06 0.00 0.00 58.65 58.56 1npb h GLN 3 Cb 1.17 0.04 -0.12 0.00 0.30 0.00 0.00 27.48 28.87 1npb h GLN 3 CO 0.75 0.89 0.94 -1.54 -0.67 0.00 0.00 178.83 179.20 1npb s SER 4 N -6.61 -0.02 0.04 1.46 1.04 -1.26 -5.10 113.70 103.25 1npb s SER 4 Ca -0.03 -0.06 -0.30 0.00 0.48 0.00 0.00 55.95 56.03 1npb s SER 4 Cb 0.09 0.07 -0.07 0.00 0.10 0.00 0.00 66.02 66.20 1npb s SER 4 CO 0.83 -0.13 1.58 -0.22 0.98 0.00 0.00 173.24 176.28 1npb s LEU 5 N -3.20 4.35 -0.12 2.42 2.96 -1.26 -4.93 118.68 118.91 1npb s LEU 5 Ca 0.18 2.36 -0.27 0.00 -0.22 0.00 0.00 54.13 56.19 1npb s LEU 5 Cb 0.05 -3.56 -0.27 0.00 0.50 0.00 0.00 46.19 42.91 1npb s LEU 5 CO -0.05 -0.84 0.78 -1.13 -1.32 0.00 0.00 176.35 173.79 1npb h ASN 6 N 8.25 0.12 -4.80 3.68 -0.73 -1.99 -3.48 115.58 116.63 1npb h ASN 6 Ca -0.41 -0.97 0.01 0.00 1.87 0.00 0.00 56.30 56.80 1npb h ASN 6 Cb 1.19 -0.04 -0.16 0.00 0.27 0.00 0.00 38.32 39.58 1npb h ASN 6 CO 0.92 1.12 0.32 -1.38 -0.37 0.00 0.00 177.43 178.04 1npb s HIS 7 N -2.28 -0.50 -0.23 0.67 -3.43 -1.26 -4.25 115.29 104.01 1npb s HIS 7 Ca -0.18 0.56 -0.07 0.00 -0.80 0.00 0.00 55.06 54.57 1npb s HIS 7 Cb -0.02 0.50 -0.03 0.00 -1.43 0.00 0.00 32.58 31.60 1npb s HIS 7 CO 0.72 -0.65 0.05 -1.17 -2.00 0.00 0.00 174.74 171.69 1npb s LEU 8 N -2.04 3.43 -0.17 5.38 2.96 -0.55 -5.00 118.68 122.68 1npb s LEU 8 Ca -0.02 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.70 1npb s LEU 8 Cb -0.01 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 1npb s LEU 8 CO -0.04 0.02 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.05 1npb s THR 9 N 1.28 3.45 -0.15 3.68 2.01 -1.26 0.15 115.64 124.81 1npb s THR 9 Ca 0.04 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 1npb s THR 9 Cb -0.15 -2.51 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 1npb s THR 9 CO 0.03 0.48 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.58 1npb s LEU 10 N 0.71 2.85 0.14 4.42 1.43 0.15 -4.97 118.68 123.42 1npb s LEU 10 Ca -0.03 -0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 52.47 1npb s LEU 10 Cb -0.15 -1.67 -0.07 0.00 0.03 0.00 0.00 46.19 44.34 1npb s LEU 10 CO 0.02 0.13 1.13 0.00 0.23 0.00 0.00 176.35 177.86 1npb s ALA 11 N 0.55 3.37 0.13 4.21 0.00 -1.26 -0.74 121.76 128.03 1npb s ALA 11 Ca -0.07 0.83 0.06 0.00 0.00 0.00 0.00 51.96 52.78 1npb s ALA 11 Cb -0.15 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 1npb s ALA 11 CO 0.03 -0.28 -0.14 0.14 0.00 0.00 0.00 175.76 175.51 1npb s VAL 12 N 0.13 1.36 -0.11 0.00 -7.23 0.13 -4.87 120.40 109.81 1npb s VAL 12 Ca 0.52 -1.78 0.20 0.00 -1.81 0.00 0.00 61.98 59.11 1npb s VAL 12 Cb -0.29 -1.60 -0.26 0.00 0.56 0.00 0.00 36.38 34.79 1npb s VAL 12 CO 0.34 -0.45 0.43 -1.54 -0.31 0.00 0.00 175.10 173.57 1npb n SER 13 N 0.42 0.17 -3.51 4.85 3.41 -1.26 -1.37 113.62 116.32 1npb n SER 13 Ca -0.15 0.07 -0.29 0.00 -0.26 0.00 0.00 58.87 58.25 1npb n SER 13 Cb 0.57 1.33 -0.14 0.00 -0.26 0.00 0.00 64.21 65.72 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 -5.05 3.31 0.19 4.04 -1.08 -1.26 -4.92 116.67 111.91 1npb s ASP 14 Ca -0.07 -1.67 -0.11 0.00 -0.52 0.00 0.00 52.55 50.18 1npb s ASP 14 Cb 0.10 -0.38 0.12 0.00 -1.46 0.00 0.00 42.92 41.30 1npb s ASP 14 CO 0.86 -0.39 1.84 0.25 0.52 0.00 0.00 175.17 178.26 1npb h LEU 15 N 7.83 0.80 -0.30 -1.34 5.85 -1.94 -0.89 115.31 125.32 1npb h LEU 15 Ca -0.09 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.61 1npb h LEU 15 Cb 0.99 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 1npb h LEU 15 CO 0.37 0.62 0.07 -0.61 -0.34 0.00 0.00 178.44 178.54 1npb h GLN 16 N 0.91 0.17 -0.87 1.25 5.75 -1.97 -0.21 115.11 120.16 1npb h GLN 16 Ca 0.24 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.74 1npb h GLN 16 Cb -0.04 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.43 1npb h GLN 16 CO -0.05 0.12 0.56 0.87 -2.65 0.00 0.00 178.83 177.67 1npb h LYS 17 N 0.18 1.15 -0.24 1.69 1.57 -1.78 -1.86 116.57 117.28 1npb h LYS 17 Ca 0.14 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1npb h LYS 17 Cb 0.14 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1npb h LYS 17 CO -0.18 0.78 -0.18 0.77 -0.57 0.00 0.00 179.45 180.07 1npb h SER 18 N 1.18 0.58 -0.63 0.86 0.02 -0.83 -2.01 113.55 112.72 1npb h SER 18 Ca 0.32 -0.45 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 1npb h SER 18 Cb -0.10 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 1npb h SER 18 CO -0.06 0.90 0.35 0.58 -1.14 0.00 0.00 176.83 177.46 1npb h VAL 19 N 0.25 1.20 -0.65 2.27 2.07 -0.89 -0.25 116.25 120.25 1npb h VAL 19 Ca 0.04 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.11 1npb h VAL 19 Cb 0.72 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1npb h VAL 19 CO 0.05 0.21 0.40 0.74 0.02 0.00 0.00 177.57 178.99 1npb h THR 20 N 0.85 1.06 0.03 2.57 2.02 -1.22 0.23 112.91 118.45 1npb h THR 20 Ca 0.22 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1npb h THR 20 Cb 0.03 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1npb h THR 20 CO -0.04 0.14 -0.01 0.15 0.37 0.00 0.00 175.52 176.13 1npb h PHE 21 N 0.77 -0.04 0.07 3.16 3.57 -0.81 0.18 116.94 123.85 1npb h PHE 21 Ca 0.27 -0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.52 1npb h PHE 21 Cb 0.05 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 1npb h PHE 21 CO -0.05 0.26 -1.10 -1.49 -2.23 0.00 0.00 178.31 173.69 1npb h TRP 22 N -0.33 0.40 0.00 0.41 4.06 -0.86 0.96 115.95 120.58 1npb h TRP 22 Ca -0.00 -0.27 -0.14 0.00 2.06 0.00 0.00 58.89 60.54 1npb h TRP 22 Cb 0.31 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.43 1npb h TRP 22 CO 0.02 1.17 -0.79 1.25 -3.56 0.00 0.00 178.44 176.53 1npb h HIS 23 N 0.09 0.00 0.02 0.49 2.76 -0.63 -0.99 115.15 116.89 1npb h HIS 23 Ca -0.09 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.90 1npb h HIS 23 Cb 1.81 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.75 1npb h HIS 23 CO 0.05 1.19 -0.94 0.93 -1.30 0.00 0.00 177.93 177.86 1npb h GLU 24 N -1.00 0.05 0.01 5.26 5.08 -1.06 -2.35 114.58 120.57 1npb h GLU 24 Ca -0.21 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.00 1npb h GLU 24 Cb 1.11 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.40 1npb h GLU 24 CO -0.13 1.04 -0.28 1.25 -1.00 0.00 0.00 179.01 179.89 1npb h LEU 25 N -0.86 0.23 0.00 1.33 6.46 -0.88 -3.30 115.31 118.30 1npb h LEU 25 Ca -0.24 -0.80 0.00 0.00 -0.12 0.00 0.00 57.88 56.71 1npb h LEU 25 Cb 1.31 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.17 1npb h LEU 25 CO -0.10 1.01 -0.48 -0.07 -0.62 0.00 0.00 178.44 178.18 1npb h LEU 26 N -0.51 0.00 0.05 2.25 3.38 -0.94 -3.49 115.31 116.05 1npb h LEU 26 Ca -0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1npb h LEU 26 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1npb h LEU 26 CO 0.05 0.05 -0.02 0.61 0.09 0.00 0.00 178.44 179.22 1npb n GLY 27 N 1.26 0.50 3.75 0.83 0.00 -0.89 -4.96 105.19 105.68 1npb n GLY 27 Ca 0.03 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.25 3.69 0.07 0.99 1.02 -0.39 -4.95 118.68 118.86 1npb s LEU 28 Ca 0.00 2.51 -0.24 0.00 0.02 0.00 0.00 54.13 56.42 1npb s LEU 28 Cb 0.00 -4.53 -0.06 0.00 0.02 0.00 0.00 46.19 41.62 1npb s LEU 28 CO 0.00 -1.66 0.75 0.42 0.02 0.00 0.00 176.35 175.88 1npb s THR 29 N -1.49 4.66 -0.23 5.49 -4.23 -0.70 -4.50 115.64 114.65 1npb s THR 29 Ca 0.77 1.60 -0.14 0.00 -1.18 0.00 0.00 61.69 62.74 1npb s THR 29 Cb -0.34 -4.10 -0.04 0.00 1.34 0.00 0.00 72.50 69.36 1npb s THR 29 CO 0.37 0.41 0.30 -0.22 -0.54 0.00 0.00 174.62 174.95 1npb s LEU 30 N -0.37 4.12 -0.21 4.79 2.96 -1.26 -0.87 118.68 127.83 1npb s LEU 30 Ca 0.37 0.32 0.04 0.00 -0.22 0.00 0.00 54.13 54.64 1npb s LEU 30 Cb -0.21 -2.34 -0.16 0.00 0.50 0.00 0.00 46.19 43.98 1npb s LEU 30 CO 0.23 -0.04 -0.15 1.41 -1.32 0.00 0.00 176.35 176.49 1npb n HIS 31 N 4.54 0.00 -3.60 5.38 8.25 0.39 -5.00 115.22 125.18 1npb n HIS 31 Ca -0.11 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.25 1npb n HIS 31 Cb 0.51 -0.86 -0.02 0.00 1.12 0.00 0.00 29.99 30.73 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 -2.44 -1.34 -0.09 -1.41 0.00 -1.12 -4.99 121.76 110.36 1npb s ALA 32 Ca -0.26 0.13 -0.16 0.00 0.00 0.00 0.00 51.96 51.67 1npb s ALA 32 Cb 0.07 0.86 0.04 0.00 0.00 0.00 0.00 23.12 24.09 1npb s ALA 32 CO 0.56 -0.83 0.40 0.50 0.00 0.00 0.00 175.76 176.38 1npb s ARG 33 N -3.82 0.60 0.04 0.00 3.52 -1.26 -0.82 118.95 117.20 1npb s ARG 33 Ca 0.05 0.27 0.01 0.00 -0.13 0.00 0.00 55.73 55.93 1npb s ARG 33 Cb -0.02 0.28 -0.00 0.00 -1.56 0.00 0.00 34.95 33.65 1npb s ARG 33 CO -0.06 -0.13 0.03 -2.67 -0.81 0.00 0.00 175.30 171.66 1npb n TRP 34 N 2.12 -0.07 0.17 5.12 2.14 -0.25 -4.98 117.44 121.68 1npb n TRP 34 Ca -0.17 -0.30 0.05 0.00 2.07 0.00 0.00 57.50 59.15 1npb n TRP 34 Cb 0.57 0.03 0.49 0.00 -0.81 0.00 0.00 31.31 31.59 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 0.22 0.13 0.00 -0.67 -0.26 -2.03 -3.28 115.58 109.69 1npb h ASN 35 Ca -0.03 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 1npb h ASN 35 Cb 0.13 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.36 1npb h ASN 35 CO 0.04 0.22 -0.04 0.35 -1.06 0.00 0.00 177.43 176.94 1npb n THR 36 N -4.38 1.47 -3.82 2.81 -2.24 -1.26 -4.99 114.28 101.87 1npb n THR 36 Ca -0.01 -1.72 -0.00 0.00 -2.27 0.00 0.00 64.05 60.04 1npb n THR 36 Cb 0.19 0.03 0.01 0.00 -2.10 0.00 0.00 70.33 68.45 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 -2.20 -0.14 -0.06 3.38 0.00 -1.24 -0.44 107.32 106.62 1npb s GLY 37 Ca 0.21 0.10 -0.18 0.00 0.00 0.00 0.00 44.72 44.86 1npb s GLY 37 CO 0.02 2.24 0.40 0.00 0.00 0.00 0.00 173.10 175.76 1npb s ALA 38 N -2.38 -1.02 -0.20 3.20 0.00 0.19 -1.09 121.76 120.45 1npb s ALA 38 Ca 0.20 0.73 -0.03 0.00 0.00 0.00 0.00 51.96 52.86 1npb s ALA 38 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 1npb s ALA 38 CO 0.01 -0.26 -0.07 0.71 0.00 0.00 0.00 175.76 176.15 1npb s TYR 39 N -0.89 2.93 0.28 0.00 4.12 -0.00 -1.04 117.35 122.75 1npb s TYR 39 Ca -0.10 -0.93 0.03 0.00 0.02 0.00 0.00 57.07 56.09 1npb s TYR 39 Cb -0.04 -2.05 -0.06 0.00 -1.52 0.00 0.00 41.96 38.30 1npb s TYR 39 CO 0.04 -0.51 0.05 -0.51 0.02 0.00 0.00 175.55 174.65 1npb s LEU 40 N 1.27 2.01 -0.03 -1.29 1.02 0.47 -0.46 118.68 121.68 1npb s LEU 40 Ca 0.03 -1.34 0.01 0.00 0.02 0.00 0.00 54.13 52.85 1npb s LEU 40 Cb -0.14 -0.23 0.02 0.00 0.02 0.00 0.00 46.19 45.85 1npb s LEU 40 CO -0.03 -0.62 -0.01 -0.89 0.02 0.00 0.00 176.35 174.82 1npb s THR 41 N -3.46 0.25 -0.30 5.49 2.01 -0.05 0.34 115.64 119.91 1npb s THR 41 Ca 0.35 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.38 1npb s THR 41 Cb 0.08 -0.31 0.09 0.00 0.01 0.00 0.00 72.50 72.37 1npb s THR 41 CO 0.13 0.14 0.01 0.00 -0.69 0.00 0.00 174.62 174.22 1npb n GLY 43 N 4.44 2.50 0.14 0.00 0.00 -1.26 -0.53 105.19 110.48 1npb n GLY 43 Ca -0.03 0.36 0.01 0.00 0.00 0.00 0.00 46.02 46.36 1npb n GLY 43 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1npb h ASP 44 N 0.00 0.00 -3.25 1.61 3.32 -2.01 -3.46 116.42 112.63 1npb h ASP 44 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 1npb h ASP 44 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1npb h ASP 44 CO 0.00 0.58 0.56 -0.22 -1.72 0.00 0.00 179.24 178.44 1npb s LEU 45 N -6.81 4.28 -0.25 1.55 2.96 0.31 -5.00 118.68 115.72 1npb s LEU 45 Ca 0.02 1.63 -0.29 0.00 -0.22 0.00 0.00 54.13 55.26 1npb s LEU 45 Cb 0.10 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.23 1npb s LEU 45 CO 0.74 -0.45 1.22 0.86 -1.32 0.00 0.00 176.35 177.41 1npb s TRP 46 N 1.85 2.88 -0.13 5.38 -0.00 -1.26 -1.14 118.94 126.52 1npb s TRP 46 Ca 0.51 1.03 -0.01 0.00 -0.00 0.00 0.00 56.10 57.62 1npb s TRP 46 Cb -0.20 -3.68 -0.02 0.00 -0.00 0.00 0.00 33.47 29.56 1npb s TRP 46 CO 0.21 -1.43 -0.09 0.08 -0.00 0.00 0.00 176.95 175.72 1npb s VAL 47 N 3.86 3.46 -0.18 5.86 1.01 0.15 -1.49 120.40 133.08 1npb s VAL 47 Ca 0.53 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 1npb s VAL 47 Cb -0.17 -2.47 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1npb s VAL 47 CO 0.17 0.52 -0.07 0.00 0.00 0.00 0.00 175.10 175.73 1npb s LEU 49 N 0.88 4.12 -0.12 0.00 1.43 -0.21 -0.67 118.68 124.11 1npb s LEU 49 Ca -0.02 0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 1npb s LEU 49 Cb -0.15 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.70 1npb s LEU 49 CO 0.01 -0.07 -0.12 -0.55 0.23 0.00 0.00 176.35 175.85 1npb s SER 50 N 1.18 2.35 0.10 2.29 0.15 0.09 -0.64 113.70 119.21 1npb s SER 50 Ca 0.15 -0.39 -0.31 0.00 0.70 0.00 0.00 55.95 56.11 1npb s SER 50 Cb -0.15 -1.00 -0.08 0.00 -1.71 0.00 0.00 66.02 63.09 1npb s SER 50 CO 0.08 -0.05 1.42 -0.47 1.20 0.00 0.00 173.24 175.41 1npb s TYR 51 N 1.37 3.13 -0.11 3.44 5.04 0.41 -0.70 117.35 129.93 1npb s TYR 51 Ca 0.00 0.87 -0.01 0.00 -2.44 0.00 0.00 57.07 55.49 1npb s TYR 51 Cb -0.13 -3.71 0.03 0.00 0.35 0.00 0.00 41.96 38.50 1npb s TYR 51 CO -0.06 -2.55 -0.01 0.34 -1.34 0.00 0.00 175.55 171.93 1npb s ASP 52 N 1.29 2.06 0.23 4.32 -1.08 -0.47 -4.83 116.67 118.19 1npb s ASP 52 Ca 0.65 -0.32 0.20 0.00 -0.52 0.00 0.00 52.55 52.57 1npb s ASP 52 Cb -0.37 -0.59 0.92 0.00 -1.46 0.00 0.00 42.92 41.42 1npb s ASP 52 CO 0.30 -0.20 1.62 -1.84 0.52 0.00 0.00 175.17 175.56 1npb n GLU 53 N 5.07 0.14 0.00 4.34 0.28 -1.26 -0.59 120.64 128.61 1npb n GLU 53 Ca -0.09 0.47 0.14 0.00 -0.16 0.00 0.00 57.16 57.52 1npb n GLU 53 Cb 0.49 -1.82 0.53 0.00 1.43 0.00 0.00 31.44 32.07 1npb n GLU 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1npb n ALA 54 N -1.72 2.85 -2.71 -1.84 0.00 -1.26 -4.85 120.51 110.97 1npb n ALA 54 Ca 0.01 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 1npb n ALA 54 Cb 0.15 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.41 4.53 0.40 0.00 6.06 0.24 -5.04 118.95 122.72 1npb s ARG 55 Ca 0.29 1.33 0.04 0.00 -2.50 0.00 0.00 55.73 54.89 1npb s ARG 55 Cb 0.20 -3.47 -0.05 0.00 0.06 0.00 0.00 34.95 31.70 1npb s ARG 55 CO 0.47 -0.06 0.06 -0.65 -2.50 0.00 0.00 175.30 172.62 1npb s GLN 56 N 1.07 1.89 0.07 5.12 -0.21 -1.26 -4.56 119.66 121.80 1npb s GLN 56 Ca 0.49 -2.12 -0.31 0.00 0.02 0.00 0.00 55.36 53.45 1npb s GLN 56 Cb -0.20 -1.09 -0.09 0.00 1.00 0.00 0.00 33.01 32.63 1npb s GLN 56 CO 0.25 -0.27 1.80 -0.47 -2.12 0.00 0.00 175.29 174.48 1npb s TYR 57 N -3.08 2.01 -0.30 0.91 5.04 -1.26 -4.85 117.35 115.82 1npb s TYR 57 Ca 0.27 -0.01 -0.05 0.00 -2.44 0.00 0.00 57.07 54.84 1npb s TYR 57 Cb 0.06 -4.11 0.03 0.00 0.35 0.00 0.00 41.96 38.29 1npb s TYR 57 CO 0.13 -4.67 0.04 0.08 -1.34 0.00 0.00 175.55 169.79 1npb s VAL 58 N 3.20 3.48 0.75 3.14 1.01 -0.48 -5.00 120.40 126.50 1npb s VAL 58 Ca 0.80 -1.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.60 1npb s VAL 58 Cb -0.43 -2.90 0.05 0.00 0.00 0.00 0.00 36.38 33.10 1npb s VAL 58 CO 0.36 -0.04 1.10 -2.16 0.00 0.00 0.00 175.10 174.36 1npb s PRO 59 N 1.38 2.34 0.41 2.72 0.04 -1.26 -4.46 135.00 136.17 1npb s PRO 59 Ca -0.01 1.24 0.29 0.00 0.04 0.00 0.00 61.00 62.55 1npb s PRO 59 Cb -0.19 -1.90 1.10 0.00 0.04 0.00 0.00 34.50 33.55 1npb s PRO 59 CO 0.01 -1.59 1.84 -1.00 0.04 0.00 0.00 177.00 176.30 1npb h PRO 60 N -0.87 0.00 0.00 0.56 0.13 -1.92 -1.64 132.00 128.25 1npb h PRO 60 Ca -0.44 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 1npb h PRO 60 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1npb h PRO 60 CO 0.52 0.00 -0.15 1.96 -0.23 0.00 0.00 178.00 180.10 1npb h GLN 61 N 0.00 0.00 0.01 0.86 7.50 -1.98 -3.27 115.11 118.23 1npb h GLN 61 Ca 0.00 0.00 -0.33 0.00 0.50 0.00 0.00 58.65 58.82 1npb h GLN 61 Cb 0.52 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.99 1npb h GLN 61 CO 0.00 0.15 -1.99 0.39 -1.50 0.00 0.00 178.83 175.88 1npb n GLU 62 N -3.34 0.66 -2.28 1.46 -0.58 -0.63 -4.94 120.64 111.00 1npb n GLU 62 Ca -0.00 0.18 -0.31 0.00 -0.42 0.00 0.00 57.16 56.61 1npb n GLU 62 Cb 0.36 -1.69 -0.02 0.00 -0.57 0.00 0.00 31.44 29.53 1npb n GLU 62 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1npb s SER 63 N -5.95 6.46 0.25 1.62 1.04 -1.14 -5.04 113.70 110.95 1npb s SER 63 Ca -0.09 1.44 0.00 0.00 0.48 0.00 0.00 55.95 57.79 1npb s SER 63 Cb 0.07 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1npb s SER 63 CO 0.82 -0.66 0.00 -0.90 0.98 0.00 0.00 173.24 173.47 1npb n ASP 64 N -1.98 0.00 0.00 7.02 5.68 -1.26 -4.94 116.55 121.07 1npb n ASP 64 Ca 0.06 -0.34 0.14 0.00 -0.50 0.00 0.00 54.79 54.15 1npb n ASP 64 Cb 0.54 0.00 0.77 0.00 -1.14 0.00 0.00 41.12 41.29 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 -0.59 0.00 -1.67 2.11 9.36 -1.26 -4.84 117.16 120.27 1npb n TYR 65 Ca 0.00 0.00 -0.47 0.00 3.32 0.00 0.00 57.90 60.75 1npb n TYR 65 Cb 0.00 -0.18 -0.04 0.00 -0.63 0.00 0.00 39.34 38.48 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 -1.18 0.17 -3.70 2.97 -1.04 -1.26 -4.95 114.28 105.30 1npb n THR 66 Ca 0.17 -0.03 -0.10 0.00 -2.04 0.00 0.00 64.05 62.05 1npb n THR 66 Cb 0.18 -1.59 -0.04 0.00 -1.82 0.00 0.00 70.33 67.06 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 1.82 -0.14 -0.17 -1.42 -3.43 -1.26 -4.60 115.29 106.10 1npb s HIS 67 Ca 0.83 -0.19 0.01 0.00 -0.80 0.00 0.00 55.06 54.91 1npb s HIS 67 Cb -0.70 0.33 0.02 0.00 -1.43 0.00 0.00 32.58 30.80 1npb s HIS 67 CO 0.43 -0.83 -0.17 0.71 -2.00 0.00 0.00 174.74 172.88 1npb s TYR 68 N -3.85 2.48 -0.09 0.38 1.51 -0.37 -5.01 117.35 112.41 1npb s TYR 68 Ca 0.07 -1.44 -0.01 0.00 -1.01 0.00 0.00 57.07 54.67 1npb s TYR 68 Cb 0.00 -1.76 -0.03 0.00 -0.11 0.00 0.00 41.96 40.06 1npb s TYR 68 CO -0.06 -0.74 -0.02 0.00 -1.11 0.00 0.00 175.55 173.61 1npb s ALA 69 N 1.39 3.18 -0.02 3.71 0.00 -1.26 -0.86 121.76 127.90 1npb s ALA 69 Ca 0.05 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.26 1npb s ALA 69 Cb -0.13 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 1npb s ALA 69 CO -0.12 0.54 -0.24 -0.06 0.00 0.00 0.00 175.76 175.88 1npb s PHE 70 N -0.72 2.19 0.05 0.00 0.40 0.23 -4.92 117.98 115.21 1npb s PHE 70 Ca 0.11 -0.41 -0.30 0.00 -0.60 0.00 0.00 56.93 55.72 1npb s PHE 70 Cb -0.12 -1.41 -0.05 0.00 0.51 0.00 0.00 43.02 41.96 1npb s PHE 70 CO 0.02 -0.03 1.10 0.99 0.70 0.00 0.00 175.22 177.99 1npb s THR 71 N -0.58 4.36 0.09 0.64 2.01 -1.26 -0.47 115.64 120.42 1npb s THR 71 Ca 0.09 1.73 0.08 0.00 0.31 0.00 0.00 61.69 63.90 1npb s THR 71 Cb -0.09 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 1npb s THR 71 CO -0.01 0.15 -0.21 0.68 -0.69 0.00 0.00 174.62 174.55 1npb s VAL 72 N 0.88 1.69 0.42 3.82 -7.23 -0.90 -4.88 120.40 114.21 1npb s VAL 72 Ca 0.55 -1.44 -0.26 0.00 -1.81 0.00 0.00 61.98 59.02 1npb s VAL 72 Cb -0.26 -1.52 -0.08 0.00 0.56 0.00 0.00 36.38 35.08 1npb s VAL 72 CO 0.29 0.01 1.34 0.00 -0.31 0.00 0.00 175.10 176.43 1npb s ALA 73 N -1.06 3.24 0.29 1.32 0.00 -1.26 -4.31 121.76 119.98 1npb s ALA 73 Ca 0.07 1.30 0.03 0.00 0.00 0.00 0.00 51.96 53.36 1npb s ALA 73 Cb -0.10 -3.52 0.64 0.00 0.00 0.00 0.00 23.12 20.14 1npb s ALA 73 CO 0.04 -0.95 1.79 1.49 0.00 0.00 0.00 175.76 178.13 1npb h GLU 74 N 2.53 0.76 0.00 0.00 4.81 -1.98 0.46 114.58 121.16 1npb h GLU 74 Ca -0.50 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1npb h GLU 74 Cb 1.25 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1npb h GLU 74 CO 0.62 0.51 0.00 0.93 -0.73 0.00 0.00 179.01 180.34 1npb h GLU 75 N 0.79 0.00 0.00 1.92 3.07 -2.06 -2.98 114.58 115.31 1npb h GLU 75 Ca 0.53 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 59.21 1npb h GLU 75 Cb 0.73 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.61 1npb h GLU 75 CO -0.35 0.00 -1.37 -0.44 -1.40 0.00 0.00 179.01 175.45 1npb h ASP 76 N 0.00 0.00 -0.23 1.42 5.19 -0.45 -3.43 116.42 118.92 1npb h ASP 76 Ca 0.00 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.46 1npb h ASP 76 Cb 0.27 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.73 1npb h ASP 76 CO 0.00 0.62 -0.10 0.15 -3.12 0.00 0.00 179.24 176.79 1npb h PHE 77 N 0.00 -0.24 0.40 4.55 3.57 -1.31 -0.49 116.94 123.41 1npb h PHE 77 Ca -0.16 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.34 1npb h PHE 77 Cb 1.62 0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.50 1npb h PHE 77 CO 0.00 -0.16 -0.19 1.49 -2.23 0.00 0.00 178.31 177.22 1npb h GLU 78 N -0.07 -0.52 -0.84 1.11 4.57 -1.82 -1.47 114.58 115.53 1npb h GLU 78 Ca 0.12 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.40 1npb h GLU 78 Cb 0.25 0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.91 1npb h GLU 78 CO -0.28 -0.21 0.55 -1.35 -1.18 0.00 0.00 179.01 176.54 1npb h PRO 79 N -0.88 0.90 -0.16 0.92 0.11 -1.80 0.56 132.00 131.64 1npb h PRO 79 Ca -0.06 -0.05 -0.22 0.00 0.11 0.00 0.00 66.00 65.78 1npb h PRO 79 Cb 0.55 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 31.47 1npb h PRO 79 CO 0.09 0.60 -0.76 1.25 -0.21 0.00 0.00 178.00 178.96 1npb h LEU 80 N 0.93 0.95 -0.52 2.35 5.85 -1.12 -0.66 115.31 123.09 1npb h LEU 80 Ca 0.36 -0.61 0.10 0.00 0.84 0.00 0.00 57.88 58.57 1npb h LEU 80 Cb 0.22 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 40.88 1npb h LEU 80 CO -0.13 1.42 -0.02 0.28 -0.34 0.00 0.00 178.44 179.65 1npb h SER 81 N 0.55 -0.27 -0.20 1.25 0.02 -0.74 -2.02 113.55 112.14 1npb h SER 81 Ca -0.05 0.13 -0.16 0.00 -0.84 0.00 0.00 61.79 60.87 1npb h SER 81 Cb 1.39 0.24 -0.00 0.00 0.14 0.00 0.00 62.40 64.17 1npb h SER 81 CO 0.16 -0.10 -0.47 -0.61 -1.14 0.00 0.00 176.83 174.67 1npb h GLN 82 N 0.09 0.77 -0.11 3.45 4.15 -0.61 -1.90 115.11 120.96 1npb h GLN 82 Ca 0.26 -0.44 0.01 0.00 0.77 0.00 0.00 58.65 59.25 1npb h GLN 82 Cb 0.40 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 1npb h GLN 82 CO -0.45 1.07 0.02 -0.09 -1.93 0.00 0.00 178.83 177.45 1npb h ARG 83 N 0.61 0.06 -0.86 1.69 2.43 -0.75 -0.32 114.38 117.25 1npb h ARG 83 Ca 0.03 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1npb h ARG 83 Cb 1.04 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.53 1npb h ARG 83 CO 0.10 0.04 0.56 -0.07 -1.51 0.00 0.00 179.97 179.10 1npb h LEU 84 N 0.07 0.96 -0.20 3.80 4.07 -1.19 -1.21 115.31 121.61 1npb h LEU 84 Ca 0.05 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 1npb h LEU 84 Cb 0.04 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.53 1npb h LEU 84 CO -0.06 0.69 0.12 -0.33 -1.08 0.00 0.00 178.44 177.77 1npb h GLU 85 N 1.14 0.28 -0.90 1.13 5.08 -0.88 -1.55 114.58 118.87 1npb h GLU 85 Ca 0.32 -0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.81 1npb h GLU 85 Cb -0.10 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.02 1npb h GLU 85 CO -0.08 0.25 0.58 1.96 -1.00 0.00 0.00 179.01 180.72 1npb h GLN 86 N 0.23 0.65 0.00 2.33 4.20 -0.81 -1.60 115.11 120.11 1npb h GLN 86 Ca 0.07 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1npb h GLN 86 Cb 0.05 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.69 1npb h GLN 86 CO -0.01 0.43 0.00 0.00 -0.67 0.00 0.00 178.83 178.58 1npb h ALA 87 N 1.60 1.00 0.00 3.87 0.00 -0.80 -3.47 119.26 121.46 1npb h ALA 87 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1npb h ALA 87 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1npb h ALA 87 CO -0.22 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.44 1npb n GLY 88 N 0.20 0.85 3.61 0.00 0.00 -0.60 -5.06 105.19 104.19 1npb n GLY 88 Ca 0.02 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 1npb n GLY 88 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1npb n VAL 89 N -2.27 3.12 -2.50 1.61 0.24 -1.04 -4.91 118.33 112.58 1npb n VAL 89 Ca 0.00 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.37 1npb n VAL 89 Cb 0.00 -1.16 -0.02 0.00 -1.47 0.00 0.00 33.84 31.19 1npb n VAL 89 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1npb s THR 90 N -1.43 4.41 -0.28 3.34 2.01 -1.26 -4.90 115.64 117.52 1npb s THR 90 Ca 0.70 1.70 -0.25 0.00 0.31 0.00 0.00 61.69 64.15 1npb s THR 90 Cb -0.47 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 67.95 1npb s THR 90 CO 0.51 -0.13 0.88 -0.63 -0.69 0.00 0.00 174.62 174.56 1npb s ILE 91 N 3.22 4.75 -1.69 1.82 1.01 -1.26 -1.03 121.20 128.03 1npb s ILE 91 Ca 0.52 1.50 0.23 0.00 0.00 0.00 0.00 60.65 62.90 1npb s ILE 91 Cb -0.20 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.04 1npb s ILE 91 CO 0.13 -0.21 1.11 -2.67 0.00 0.00 0.00 174.94 173.30 1npb n TRP 92 N 6.25 0.00 -3.67 3.97 4.27 -0.55 -4.90 117.44 122.80 1npb n TRP 92 Ca 0.07 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.57 1npb n TRP 92 Cb 0.47 -0.03 -0.09 0.00 -1.36 0.00 0.00 31.31 30.31 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 -2.64 0.58 0.30 -2.67 2.20 -1.26 -5.06 119.74 111.19 1npb s LYS 93 Ca 0.16 0.91 -0.28 0.00 -0.36 0.00 0.00 55.97 56.40 1npb s LYS 93 Cb 0.18 0.15 -0.09 0.00 -1.51 0.00 0.00 37.83 36.55 1npb s LYS 93 CO 0.65 -0.13 1.03 -0.65 -0.36 0.00 0.00 175.35 175.90 1npb s GLN 94 N 1.06 4.60 -0.29 4.03 -1.52 -1.26 -4.36 119.66 121.91 1npb s GLN 94 Ca -0.06 1.62 -0.29 0.00 -1.95 0.00 0.00 55.36 54.68 1npb s GLN 94 Cb -0.06 -3.05 0.01 0.00 -0.22 0.00 0.00 33.01 29.70 1npb s GLN 94 CO -0.10 0.23 1.11 1.21 -0.25 0.00 0.00 175.29 177.49 1npb s ASN 95 N -1.16 6.93 0.00 5.90 2.47 -1.26 -4.91 114.94 122.91 1npb s ASN 95 Ca 0.47 1.17 0.12 0.00 0.42 0.00 0.00 52.86 55.03 1npb s ASN 95 Cb -0.27 -2.54 -0.08 0.00 -1.45 0.00 0.00 41.25 36.90 1npb s ASN 95 CO 0.34 -0.86 0.58 0.29 -3.72 0.00 0.00 177.10 173.73 1npb n LYS 96 N 6.81 2.71 -0.22 0.43 5.02 -1.26 -4.85 118.16 126.81 1npb n LYS 96 Ca 0.12 -0.24 -0.07 0.00 -2.02 0.00 0.00 58.31 56.10 1npb n LYS 96 Cb 0.47 -1.09 0.03 0.00 -0.02 0.00 0.00 35.03 34.42 1npb n LYS 96 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1npb h SER 97 N 0.49 0.84 0.00 4.39 4.64 -1.98 -3.47 113.55 118.47 1npb h SER 97 Ca 0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1npb h SER 97 Cb 0.33 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1npb h SER 97 CO 0.00 0.79 0.00 -0.62 -0.87 0.00 0.00 176.83 176.13 1npb n GLU 98 N -4.45 0.00 -2.67 4.77 1.02 -1.26 -5.09 120.64 112.95 1npb n GLU 98 Ca 0.04 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.95 1npb n GLU 98 Cb 0.17 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 31.69 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 -2.61 1.76 -0.48 0.62 0.00 -1.26 -5.06 107.32 100.28 1npb s GLY 99 Ca 0.00 -1.80 -0.15 0.00 0.00 0.00 0.00 44.72 42.77 1npb s GLY 99 CO 0.00 -1.26 0.40 0.00 0.00 0.00 0.00 173.10 172.24 1npb s ALA 100 N -3.04 3.57 -0.04 3.20 0.00 -1.26 -4.99 121.76 119.20 1npb s ALA 100 Ca 0.65 -2.15 -0.03 0.00 0.00 0.00 0.00 51.96 50.43 1npb s ALA 100 Cb -0.05 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 19.99 1npb s ALA 100 CO 0.43 -1.75 0.10 -1.12 0.00 0.00 0.00 175.76 173.41 1npb s SER 101 N 2.69 -0.10 -0.02 0.00 0.01 -1.26 -1.46 113.70 113.57 1npb s SER 101 Ca 0.04 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.49 1npb s SER 101 Cb -0.25 0.19 0.03 0.00 0.21 0.00 0.00 66.02 66.20 1npb s SER 101 CO 0.06 -0.04 0.03 0.12 0.41 0.00 0.00 173.24 173.82 1npb s PHE 102 N 0.11 0.03 -0.24 2.43 5.36 -0.19 -4.65 117.98 120.84 1npb s PHE 102 Ca -0.01 0.11 0.02 0.00 -0.96 0.00 0.00 56.93 56.10 1npb s PHE 102 Cb -0.01 -0.22 0.05 0.00 -0.34 0.00 0.00 43.02 42.50 1npb s PHE 102 CO -0.00 -0.08 -0.11 0.71 -1.46 0.00 0.00 175.22 174.28 1npb s TYR 103 N 0.96 2.96 0.05 10.12 1.51 -1.26 -0.47 117.35 131.22 1npb s TYR 103 Ca -0.08 -2.06 -0.05 0.00 -1.01 0.00 0.00 57.07 53.87 1npb s TYR 103 Cb -0.12 -1.83 -0.02 0.00 -0.11 0.00 0.00 41.96 39.89 1npb s TYR 103 CO -0.03 -0.84 0.08 -0.59 -1.11 0.00 0.00 175.55 173.07 1npb s PHE 104 N 1.21 0.26 0.01 2.71 -0.12 -0.54 -1.49 117.98 120.02 1npb s PHE 104 Ca -0.06 -0.64 -0.12 0.00 -0.05 0.00 0.00 56.93 56.06 1npb s PHE 104 Cb -0.19 -0.18 -0.05 0.00 -0.63 0.00 0.00 43.02 41.97 1npb s PHE 104 CO -0.07 -0.40 0.37 -0.51 -0.05 0.00 0.00 175.22 174.57 1npb s LEU 105 N -2.43 4.42 0.83 -1.99 1.43 -0.19 -0.90 118.68 119.86 1npb s LEU 105 Ca -0.01 0.84 -0.12 0.00 -1.03 0.00 0.00 54.13 53.81 1npb s LEU 105 Cb 0.02 -2.66 0.10 0.00 0.03 0.00 0.00 46.19 43.68 1npb s LEU 105 CO -0.07 0.28 1.20 1.51 0.23 0.00 0.00 176.35 179.50 1npb s ASP 106 N -1.32 4.25 0.51 2.29 -4.77 -0.17 -4.53 116.67 112.93 1npb s ASP 106 Ca 0.26 0.65 0.20 0.00 -3.30 0.00 0.00 52.55 50.36 1npb s ASP 106 Cb -0.15 -1.06 1.11 0.00 -1.09 0.00 0.00 42.92 41.73 1npb s ASP 106 CO 0.14 -2.05 1.58 -0.65 0.70 0.00 0.00 175.17 174.89 1npb h PRO 107 N -1.14 0.00 -0.01 2.11 0.11 -1.93 -0.91 132.00 130.23 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 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1npb h PRO 107 CO 0.60 0.00 -0.07 -0.25 -0.21 0.00 0.00 178.00 178.07 1npb n ASP 108 N -2.47 1.37 0.00 -2.05 8.00 -1.26 -4.88 116.55 115.25 1npb n ASP 108 Ca -0.01 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1npb n ASP 108 Cb 0.39 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 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 0.60 0.95 3.72 0.44 0.00 -0.35 -1.38 105.19 109.18 1npb n GLY 109 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.63 2.54 -3.01 1.61 8.25 -1.26 -4.65 115.22 117.07 1npb n HIS 110 Ca 0.00 0.47 -0.42 0.00 -0.26 0.00 0.00 57.72 57.52 1npb n HIS 110 Cb 0.00 -2.48 -0.06 0.00 1.12 0.00 0.00 29.99 28.58 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 -1.61 3.85 0.33 -0.41 1.02 -1.26 -1.00 119.74 120.66 1npb s LYS 111 Ca 0.57 0.37 0.09 0.00 0.02 0.00 0.00 55.97 57.02 1npb s LYS 111 Cb -0.54 -3.76 -0.05 0.00 -0.52 0.00 0.00 37.83 32.96 1npb s LYS 111 CO 0.60 -0.71 0.03 -0.51 -0.92 0.00 0.00 175.35 173.84 1npb s LEU 112 N 2.88 3.05 -0.10 3.17 1.43 -0.08 -1.24 118.68 127.79 1npb s LEU 112 Ca 0.29 -0.91 -0.06 0.00 -1.03 0.00 0.00 54.13 52.43 1npb s LEU 112 Cb -0.14 -1.46 0.04 0.00 0.03 0.00 0.00 46.19 44.66 1npb s LEU 112 CO 0.14 -0.21 0.25 -0.70 0.23 0.00 0.00 176.35 176.05 1npb s GLU 113 N -3.73 0.22 -0.04 1.70 2.12 -0.04 -1.47 118.70 117.46 1npb s GLU 113 Ca 0.35 0.51 -0.23 0.00 0.36 0.00 0.00 54.97 55.96 1npb s GLU 113 Cb -0.01 -0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.24 1npb s GLU 113 CO 0.20 -0.15 0.68 -0.51 -0.54 0.00 0.00 175.26 174.94 1npb s LEU 114 N 1.14 4.36 -0.08 2.70 1.43 0.38 0.77 118.68 129.37 1npb s LEU 114 Ca -0.08 1.21 -0.05 0.00 -1.03 0.00 0.00 54.13 54.17 1npb s LEU 114 Cb -0.09 -3.06 0.03 0.00 0.03 0.00 0.00 46.19 43.10 1npb s LEU 114 CO -0.08 -0.04 0.20 -2.28 0.23 0.00 0.00 176.35 174.39 1npb s HIS 115 N 0.43 -0.25 -0.24 0.29 2.46 0.37 -1.02 115.29 117.34 1npb s HIS 115 Ca 0.36 0.61 -0.10 0.00 0.47 0.00 0.00 55.06 56.40 1npb s HIS 115 Cb -0.18 0.03 -0.05 0.00 -0.13 0.00 0.00 32.58 32.25 1npb s HIS 115 CO 0.18 -0.16 0.15 0.08 -2.47 0.00 0.00 174.74 172.52 1npb s VAL 116 N 0.75 5.20 0.00 0.89 1.01 -0.53 -2.11 120.40 125.60 1npb s VAL 116 Ca -0.05 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1npb s VAL 116 Cb -0.07 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1npb s VAL 116 CO -0.04 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1npb n GLY 117 N 4.43 3.56 3.94 4.51 0.00 -1.26 -4.49 105.19 115.88 1npb n GLY 117 Ca -0.15 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 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 3.40 0.20 1.61 1.04 -1.26 -4.91 113.70 113.78 1npb s SER 118 Ca 0.00 0.23 -0.11 0.00 0.48 0.00 0.00 55.95 56.55 1npb s SER 118 Cb 0.00 -0.36 0.23 0.00 0.10 0.00 0.00 66.02 65.99 1npb s SER 118 CO 0.00 -2.55 1.74 0.25 0.98 0.00 0.00 173.24 173.66 1npb h LEU 119 N -1.45 0.18 -1.52 2.42 5.85 -2.00 -2.42 115.31 116.38 1npb h LEU 119 Ca -0.44 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.38 1npb h LEU 119 Cb 1.25 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 1npb h LEU 119 CO 0.41 0.12 0.35 0.00 -0.34 0.00 0.00 178.44 178.97 1npb h ALA 120 N 1.39 1.69 -0.24 1.25 0.00 -1.98 0.21 119.26 121.57 1npb h ALA 120 Ca 0.28 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 1npb h ALA 120 Cb 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1npb h ALA 120 CO -0.29 0.26 -0.55 0.00 0.00 0.00 0.00 179.25 178.68 1npb h ALA 121 N 1.69 0.39 -0.24 0.00 0.00 -1.81 -0.07 119.26 119.22 1npb h ALA 121 Ca 0.20 -0.51 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1npb h ALA 121 Cb 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1npb h ALA 121 CO -0.05 0.61 0.02 -0.09 0.00 0.00 0.00 179.25 179.73 1npb h ARG 122 N 0.55 0.10 -0.63 0.00 9.65 -1.00 0.24 114.38 123.28 1npb h ARG 122 Ca -0.00 -0.01 0.08 0.00 -1.10 0.00 0.00 59.98 58.95 1npb h ARG 122 Cb 1.16 -0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.66 1npb h ARG 122 CO 0.12 0.06 0.30 -0.07 2.80 0.00 0.00 179.97 183.19 1npb h LEU 123 N 0.10 0.39 -0.56 3.80 3.38 -0.44 0.33 115.31 122.31 1npb h LEU 123 Ca 0.11 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 1npb h LEU 123 Cb 0.13 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1npb h LEU 123 CO -0.17 0.24 -0.05 0.00 0.09 0.00 0.00 178.44 178.54 1npb h ALA 124 N 1.38 0.76 -0.59 1.53 0.00 -0.60 -1.41 119.26 120.33 1npb h ALA 124 Ca 0.30 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1npb h ALA 124 Cb 0.29 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1npb h ALA 124 CO -0.24 0.63 0.09 0.00 0.00 0.00 0.00 179.25 179.73 1npb h ALA 125 N 0.95 1.04 0.00 0.00 0.00 0.11 -2.73 119.26 118.64 1npb h ALA 125 Ca 0.15 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1npb h ALA 125 Cb 0.61 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1npb h ALA 125 CO 0.04 0.61 -0.20 0.00 0.00 0.00 0.00 179.25 179.70 1npb h ARG 127 N 0.00 0.62 -0.21 0.00 2.47 -0.97 0.17 114.38 116.46 1npb h ARG 127 Ca -0.00 -0.31 -0.18 0.00 -1.26 0.00 0.00 59.98 58.23 1npb h ARG 127 Cb 0.64 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.96 1npb h ARG 127 CO 0.03 0.90 -0.59 0.93 0.56 0.00 0.00 179.97 181.79 1npb h GLU 128 N 0.51 0.68 -2.03 0.04 5.08 -1.22 -3.39 114.58 114.24 1npb h GLU 128 Ca 0.05 -0.45 -0.56 0.00 -1.00 0.00 0.00 59.36 57.39 1npb h GLU 128 Cb 0.89 0.06 -0.39 0.00 0.50 0.00 0.00 28.75 29.81 1npb h GLU 128 CO 0.08 1.07 -1.10 1.63 -1.00 0.00 0.00 179.01 179.69 1npb n LYS 129 N -3.96 0.66 -1.75 2.33 5.02 -0.35 -5.13 118.16 114.99 1npb n LYS 129 Ca -0.04 -3.22 -0.39 0.00 -2.02 0.00 0.00 58.31 52.64 1npb n LYS 129 Cb 0.64 -1.25 0.04 0.00 -0.02 0.00 0.00 35.03 34.43 1npb n LYS 129 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1npb n PRO 130 N 1.54 1.84 -1.33 1.97 -0.04 0.57 -4.60 135.00 134.95 1npb n PRO 130 Ca 0.22 0.67 -0.30 0.00 -0.04 0.00 0.00 63.50 64.04 1npb n PRO 130 Cb 0.53 -2.59 0.11 0.00 -0.04 0.00 0.00 33.50 31.50 1npb n PRO 130 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1npb s TYR 131 N -1.26 2.58 -0.11 0.54 4.12 -1.26 -4.92 117.35 117.03 1npb s TYR 131 Ca 0.69 1.34 -0.37 0.00 0.02 0.00 0.00 57.07 58.74 1npb s TYR 131 Cb -0.43 -3.09 -0.14 0.00 -1.52 0.00 0.00 41.96 36.78 1npb s TYR 131 CO 0.51 -1.98 1.70 0.00 0.02 0.00 0.00 175.55 175.81 1npb n ALA 132 N -3.61 0.17 -1.14 3.71 0.00 -1.26 -1.11 120.51 117.27 1npb n ALA 132 Ca 0.08 0.38 -0.05 0.00 0.00 0.00 0.00 53.44 53.85 1npb n ALA 132 Cb 0.55 -2.30 -0.02 0.00 0.00 0.00 0.00 19.45 17.68 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 3.89 0.72 3.74 0.00 0.00 -1.26 -4.97 105.19 107.30 1npb n GLY 133 Ca 0.23 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.31 2.69 -4.33 1.61 1.56 -0.27 -5.02 117.12 111.05 1npb n MET 134 Ca -0.05 0.96 -0.21 0.00 -0.27 0.00 0.00 57.70 58.13 1npb n MET 134 Cb 0.22 -2.75 -0.16 0.00 2.15 0.00 0.00 33.22 32.68 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 0.25 0.74 -0.16 1.12 1.01 -1.26 -5.01 120.40 117.08 1npb s VAL 135 Ca 0.67 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 62.29 1npb s VAL 135 Cb -0.51 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1npb s VAL 135 CO 0.45 0.25 0.11 -0.36 0.00 0.00 0.00 175.10 175.55 1npb s PHE 136 N 0.59 3.41 0.41 5.22 0.40 -1.26 -5.02 117.98 121.74 1npb s PHE 136 Ca -0.09 0.32 0.09 0.00 -0.60 0.00 0.00 56.93 56.65 1npb s PHE 136 Cb -0.13 -2.05 0.86 0.00 0.51 0.00 0.00 43.02 42.22 1npb s PHE 136 CO 0.01 0.41 2.00 1.15 0.70 0.00 0.00 175.22 179.49 1npb h THR 137 N 4.47 1.12 0.00 0.64 2.02 -2.06 -3.56 112.91 115.54 1npb h THR 137 Ca -0.45 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1npb h THR 137 Cb 1.18 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1npb h THR 137 CO 0.68 0.15 0.00 -1.20 0.37 0.00 0.00 175.52 175.52