#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 4.30 0.13 -0.89 1.43 -1.26 -4.98 118.68 117.41 1npb s LEU 2 Ca 0.00 1.31 0.07 0.00 -1.03 0.00 0.00 54.13 54.47 1npb s LEU 2 Cb 0.00 -3.24 -0.17 0.00 0.03 0.00 0.00 46.19 42.81 1npb s LEU 2 CO 0.00 -0.22 1.30 1.56 0.23 0.00 0.00 176.35 179.22 1npb h GLN 3 N 6.90 0.02 -1.11 1.70 4.20 -2.10 -3.49 115.11 121.23 1npb h GLN 3 Ca -0.38 -0.03 0.38 0.00 0.06 0.00 0.00 58.65 58.68 1npb h GLN 3 Cb 1.19 0.01 -0.14 0.00 0.30 0.00 0.00 27.48 28.84 1npb h GLN 3 CO 0.77 0.98 0.96 -1.54 -0.67 0.00 0.00 178.83 179.33 1npb s SER 4 N -6.75 -0.01 0.02 1.46 1.04 -1.26 -5.10 113.70 103.09 1npb s SER 4 Ca 0.00 -0.03 -0.30 0.00 0.48 0.00 0.00 55.95 56.10 1npb s SER 4 Cb 0.10 0.04 -0.07 0.00 0.10 0.00 0.00 66.02 66.19 1npb s SER 4 CO 0.82 -0.07 1.59 -0.22 0.98 0.00 0.00 173.24 176.34 1npb s LEU 5 N -2.96 4.34 -0.11 2.42 2.96 -1.26 -4.92 118.68 119.15 1npb s LEU 5 Ca 0.15 2.33 -0.27 0.00 -0.22 0.00 0.00 54.13 56.12 1npb s LEU 5 Cb 0.07 -3.55 -0.27 0.00 0.50 0.00 0.00 46.19 42.93 1npb s LEU 5 CO -0.06 -0.86 0.82 -1.13 -1.32 0.00 0.00 176.35 173.81 1npb h ASN 6 N 8.51 0.13 -4.75 3.68 -0.73 -1.96 -3.48 115.58 116.99 1npb h ASN 6 Ca -0.41 -0.97 0.06 0.00 1.87 0.00 0.00 56.30 56.86 1npb h ASN 6 Cb 1.19 -0.04 -0.15 0.00 0.27 0.00 0.00 38.32 39.59 1npb h ASN 6 CO 0.93 1.09 0.39 -1.38 -0.37 0.00 0.00 177.43 178.09 1npb s HIS 7 N -2.36 -0.42 -0.23 0.67 -3.43 -1.26 -4.38 115.29 103.88 1npb s HIS 7 Ca -0.17 0.31 -0.04 0.00 -0.80 0.00 0.00 55.06 54.36 1npb s HIS 7 Cb -0.02 0.54 -0.00 0.00 -1.43 0.00 0.00 32.58 31.67 1npb s HIS 7 CO 0.73 -0.64 -0.04 -1.17 -2.00 0.00 0.00 174.74 171.62 1npb s LEU 8 N -2.45 2.98 -0.22 5.38 2.96 -0.30 -5.01 118.68 122.02 1npb s LEU 8 Ca 0.03 -0.48 -0.07 0.00 -0.22 0.00 0.00 54.13 53.38 1npb s LEU 8 Cb -0.01 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1npb s LEU 8 CO -0.09 -0.05 0.07 -0.89 -1.32 0.00 0.00 176.35 174.08 1npb s THR 9 N 1.46 4.57 -0.15 3.68 2.01 -1.26 0.13 115.64 126.07 1npb s THR 9 Ca 0.05 -0.10 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 1npb s THR 9 Cb -0.15 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 1npb s THR 9 CO -0.03 0.39 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.44 1npb s LEU 10 N 1.07 2.96 0.23 4.42 1.43 -0.01 -4.97 118.68 123.80 1npb s LEU 10 Ca 0.04 -0.26 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 1npb s LEU 10 Cb -0.14 -1.70 -0.09 0.00 0.03 0.00 0.00 46.19 44.29 1npb s LEU 10 CO 0.03 0.14 1.33 0.00 0.23 0.00 0.00 176.35 178.09 1npb s ALA 11 N 0.52 3.54 0.11 4.21 0.00 -1.26 -1.19 121.76 127.69 1npb s ALA 11 Ca -0.06 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.11 1npb s ALA 11 Cb -0.15 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 1npb s ALA 11 CO 0.03 -0.58 -0.10 0.14 0.00 0.00 0.00 175.76 175.24 1npb s VAL 12 N -0.09 1.02 -0.14 0.00 -7.23 -0.30 -4.88 120.40 108.78 1npb s VAL 12 Ca 0.56 -1.72 0.19 0.00 -1.81 0.00 0.00 61.98 59.20 1npb s VAL 12 Cb -0.38 -1.46 -0.28 0.00 0.56 0.00 0.00 36.38 34.82 1npb s VAL 12 CO 0.41 -0.58 0.22 -1.54 -0.31 0.00 0.00 175.10 173.30 1npb n SER 13 N 0.43 0.03 -3.52 4.85 3.41 -1.26 -1.33 113.62 116.23 1npb n SER 13 Ca -0.15 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.17 1npb n SER 13 Cb 0.58 1.36 -0.14 0.00 -0.26 0.00 0.00 64.21 65.75 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 -5.12 3.33 0.21 4.04 -1.08 -1.26 -4.91 116.67 111.88 1npb s ASP 14 Ca -0.09 -1.70 -0.09 0.00 -0.52 0.00 0.00 52.55 50.14 1npb s ASP 14 Cb 0.09 -0.41 0.24 0.00 -1.46 0.00 0.00 42.92 41.38 1npb s ASP 14 CO 0.85 -0.38 1.81 0.25 0.52 0.00 0.00 175.17 178.22 1npb h LEU 15 N 7.79 0.55 -0.20 -1.34 5.85 -1.94 -1.08 115.31 124.94 1npb h LEU 15 Ca -0.09 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1npb h LEU 15 Cb 0.99 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1npb h LEU 15 CO 0.37 0.36 0.06 -0.61 -0.34 0.00 0.00 178.44 178.28 1npb h GLN 16 N 0.68 0.15 -0.66 1.25 5.75 -1.97 0.99 115.11 121.30 1npb h GLN 16 Ca 0.30 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.73 1npb h GLN 16 Cb 0.18 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 1npb h GLN 16 CO -0.18 0.10 0.20 -0.22 -2.65 0.00 0.00 178.83 176.08 1npb h LYS 17 N 0.16 1.02 -0.19 1.69 3.64 -1.84 -1.80 116.57 119.24 1npb h LYS 17 Ca 0.09 -0.21 -0.13 0.00 -1.27 0.00 0.00 60.65 59.13 1npb h LYS 17 Cb 0.06 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1npb h LYS 17 CO -0.09 0.87 -0.39 0.77 -2.27 0.00 0.00 179.45 178.34 1npb h SER 18 N 0.98 0.67 -0.34 4.20 0.02 -0.69 -1.94 113.55 116.46 1npb h SER 18 Ca 0.22 -0.55 -0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1npb h SER 18 Cb 0.28 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1npb h SER 18 CO -0.01 1.10 0.21 0.58 -1.14 0.00 0.00 176.83 177.57 1npb h VAL 19 N 0.27 1.11 -0.85 2.27 2.07 -0.67 0.09 116.25 120.53 1npb h VAL 19 Ca 0.00 -0.26 0.10 0.00 0.82 0.00 0.00 66.70 67.36 1npb h VAL 19 Cb 0.99 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 31.36 1npb h VAL 19 CO 0.09 0.11 0.50 0.74 0.02 0.00 0.00 177.57 179.03 1npb h THR 20 N 0.44 0.92 -0.03 2.57 2.02 -1.28 0.93 112.91 118.47 1npb h THR 20 Ca 0.12 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1npb h THR 20 Cb 0.00 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.42 1npb h THR 20 CO -0.02 0.15 -0.02 0.15 0.37 0.00 0.00 175.52 176.15 1npb h PHE 21 N 0.84 0.08 -0.02 3.16 3.57 -0.69 -0.58 116.94 123.29 1npb h PHE 21 Ca 0.41 -0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.71 1npb h PHE 21 Cb 0.36 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1npb h PHE 21 CO -0.05 0.50 -0.80 -1.49 -2.23 0.00 0.00 178.31 174.24 1npb h TRP 22 N -0.36 0.32 0.04 0.41 4.06 -0.79 0.18 115.95 119.80 1npb h TRP 22 Ca 0.01 -0.16 -0.35 0.00 2.06 0.00 0.00 58.89 60.45 1npb h TRP 22 Cb 0.48 -0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 28.56 1npb h TRP 22 CO 0.08 0.93 -1.96 1.58 -3.56 0.00 0.00 178.44 175.50 1npb n HIS 23 N -3.73 0.73 -0.08 0.49 -0.00 0.30 -1.24 115.22 111.68 1npb n HIS 23 Ca -0.03 0.22 -0.12 0.00 -0.00 0.00 0.00 57.72 57.79 1npb n HIS 23 Cb 0.75 -1.09 -0.07 0.00 -0.00 0.00 0.00 29.99 29.59 1npb n HIS 23 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 1npb h GLU 24 N -0.47 0.00 0.26 1.57 5.08 -1.22 -2.28 114.58 117.51 1npb h GLU 24 Ca -0.48 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1npb h GLU 24 Cb 1.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.96 1npb h GLU 24 CO -0.13 0.51 -0.12 1.25 -1.00 0.00 0.00 179.01 179.52 1npb h LEU 25 N -1.00 -0.29 0.00 1.33 6.46 -1.09 -3.25 115.31 117.46 1npb h LEU 25 Ca -0.14 -0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 1npb h LEU 25 Cb 0.82 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.83 1npb h LEU 25 CO -0.09 -0.01 -0.36 -0.07 -0.62 0.00 0.00 178.44 177.30 1npb h LEU 26 N -0.59 0.00 0.40 2.25 3.38 -1.09 -3.48 115.31 116.18 1npb h LEU 26 Ca -0.04 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 1npb h LEU 26 Cb 0.43 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1npb h LEU 26 CO 0.06 0.05 -0.13 0.61 0.09 0.00 0.00 178.44 179.12 1npb n GLY 27 N 1.30 0.79 3.76 0.83 0.00 -0.86 -4.95 105.19 106.07 1npb n GLY 27 Ca 0.04 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.57 3.70 0.11 0.99 1.02 -0.38 -4.95 118.68 117.60 1npb s LEU 28 Ca 0.00 2.27 -0.30 0.00 0.02 0.00 0.00 54.13 56.12 1npb s LEU 28 Cb 0.00 -4.59 -0.07 0.00 0.02 0.00 0.00 46.19 41.56 1npb s LEU 28 CO 0.00 -1.41 1.19 -0.89 0.02 0.00 0.00 176.35 175.26 1npb s THR 29 N -1.70 3.88 -0.22 5.49 2.01 -0.62 -4.47 115.64 120.01 1npb s THR 29 Ca 0.75 1.44 -0.17 0.00 0.31 0.00 0.00 61.69 64.02 1npb s THR 29 Cb -0.27 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1npb s THR 29 CO 0.30 0.16 0.44 -0.22 -0.69 0.00 0.00 174.62 174.62 1npb s LEU 30 N 0.51 4.12 -0.24 4.42 2.96 -1.26 -0.93 118.68 128.28 1npb s LEU 30 Ca 0.56 0.53 0.02 0.00 -0.22 0.00 0.00 54.13 55.02 1npb s LEU 30 Cb -0.30 -2.57 -0.19 0.00 0.50 0.00 0.00 46.19 43.63 1npb s LEU 30 CO 0.32 -0.14 -0.12 1.41 -1.32 0.00 0.00 176.35 176.49 1npb n HIS 31 N 4.80 0.17 -3.48 5.38 8.25 0.02 -5.02 115.22 125.34 1npb n HIS 31 Ca -0.07 0.04 -0.14 0.00 -0.26 0.00 0.00 57.72 57.29 1npb n HIS 31 Cb 0.51 -1.02 -0.04 0.00 1.12 0.00 0.00 29.99 30.56 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 -2.52 -1.72 -0.06 -1.41 0.00 -1.18 -5.00 121.76 109.87 1npb s ALA 32 Ca -0.31 0.96 -0.10 0.00 0.00 0.00 0.00 51.96 52.52 1npb s ALA 32 Cb 0.08 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.58 1npb s ALA 32 CO 0.64 -0.57 0.24 0.50 0.00 0.00 0.00 175.76 176.57 1npb s ARG 33 N -2.50 0.40 0.01 0.00 3.52 -1.26 -0.63 118.95 118.48 1npb s ARG 33 Ca -0.03 0.10 0.00 0.00 -0.13 0.00 0.00 55.73 55.67 1npb s ARG 33 Cb -0.01 0.18 -0.00 0.00 -1.56 0.00 0.00 34.95 33.57 1npb s ARG 33 CO -0.03 -0.08 0.01 -2.67 -0.81 0.00 0.00 175.30 171.72 1npb n TRP 34 N 2.34 -0.02 -0.07 5.12 2.14 -0.36 -5.00 117.44 121.60 1npb n TRP 34 Ca -0.16 -0.07 0.06 0.00 2.07 0.00 0.00 57.50 59.40 1npb n TRP 34 Cb 0.57 0.01 0.42 0.00 -0.81 0.00 0.00 31.31 31.50 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 0.05 0.50 0.00 -0.67 -0.26 -2.03 -3.22 115.58 109.95 1npb h ASN 35 Ca -0.01 -0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.71 1npb h ASN 35 Cb 0.03 -0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 37.14 1npb h ASN 35 CO 0.01 0.34 -0.33 0.35 -1.06 0.00 0.00 177.43 176.74 1npb n THR 36 N -4.47 1.47 -3.84 2.81 -2.24 -1.26 -4.99 114.28 101.76 1npb n THR 36 Ca 0.07 -2.04 0.02 0.00 -2.27 0.00 0.00 64.05 59.83 1npb n THR 36 Cb 0.17 0.01 0.01 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.58 -0.25 0.02 3.38 0.00 -1.22 -0.79 107.32 105.88 1npb s GLY 37 Ca 0.29 0.32 -0.17 0.00 0.00 0.00 0.00 44.72 45.16 1npb s GLY 37 CO -0.02 3.49 0.38 0.00 0.00 0.00 0.00 173.10 176.95 1npb s ALA 38 N -2.14 -0.93 -0.18 3.20 0.00 0.22 -1.23 121.76 120.70 1npb s ALA 38 Ca 0.24 0.33 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 1npb s ALA 38 Cb 0.02 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 1npb s ALA 38 CO -0.02 -0.38 -0.08 0.71 0.00 0.00 0.00 175.76 175.99 1npb s TYR 39 N -2.05 2.92 0.22 0.00 4.12 0.20 -1.02 117.35 121.73 1npb s TYR 39 Ca -0.08 -0.73 0.05 0.00 0.02 0.00 0.00 57.07 56.33 1npb s TYR 39 Cb -0.02 -1.98 -0.05 0.00 -1.52 0.00 0.00 41.96 38.38 1npb s TYR 39 CO 0.00 -0.34 -0.06 -0.51 0.02 0.00 0.00 175.55 174.66 1npb s LEU 40 N 0.88 2.39 0.04 -1.29 1.02 0.68 -0.80 118.68 121.61 1npb s LEU 40 Ca -0.02 -1.13 0.04 0.00 0.02 0.00 0.00 54.13 53.04 1npb s LEU 40 Cb -0.15 -0.44 -0.02 0.00 0.02 0.00 0.00 46.19 45.61 1npb s LEU 40 CO 0.01 -0.38 -0.13 0.42 0.02 0.00 0.00 176.35 176.29 1npb s THR 41 N -3.23 0.99 -0.27 5.49 -4.23 -0.10 -0.08 115.64 114.19 1npb s THR 41 Ca 0.25 -1.01 0.01 0.00 -1.18 0.00 0.00 61.69 59.76 1npb s THR 41 Cb 0.03 -0.92 0.08 0.00 1.34 0.00 0.00 72.50 73.04 1npb s THR 41 CO 0.07 -0.08 0.01 0.00 -0.54 0.00 0.00 174.62 174.09 1npb n GLY 43 N 4.66 2.17 0.27 0.00 0.00 -1.26 -0.63 105.19 110.40 1npb n GLY 43 Ca -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.10 0.40 -4.46 1.61 5.75 -1.26 -4.70 116.55 113.99 1npb n ASP 44 Ca 0.00 -1.46 -0.39 0.00 -0.01 0.00 0.00 54.79 52.93 1npb n ASP 44 Cb 0.00 -0.20 -0.11 0.00 -1.03 0.00 0.00 41.12 39.78 1npb n ASP 44 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1npb s LEU 45 N -0.45 4.29 -0.28 -2.12 2.96 0.20 -5.04 118.68 118.23 1npb s LEU 45 Ca 0.00 -0.55 -0.28 0.00 -0.22 0.00 0.00 54.13 53.09 1npb s LEU 45 Cb 0.00 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.66 1npb s LEU 45 CO 0.00 -0.23 0.99 0.86 -1.32 0.00 0.00 176.35 176.65 1npb s TRP 46 N 1.64 3.25 -0.12 5.38 -0.00 -1.26 -0.70 118.94 127.12 1npb s TRP 46 Ca 0.05 1.23 -0.01 0.00 -0.00 0.00 0.00 56.10 57.37 1npb s TRP 46 Cb -0.17 -3.39 -0.02 0.00 -0.00 0.00 0.00 33.47 29.88 1npb s TRP 46 CO 0.07 -0.59 -0.08 0.08 -0.00 0.00 0.00 176.95 176.44 1npb s VAL 47 N 3.28 3.51 -0.21 5.86 1.01 0.88 -1.15 120.40 133.59 1npb s VAL 47 Ca 0.42 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 1npb s VAL 47 Cb -0.14 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 1npb s VAL 47 CO 0.10 0.53 -0.04 0.00 0.00 0.00 0.00 175.10 175.70 1npb s LEU 49 N 1.36 4.16 -0.14 0.00 1.43 -0.19 -0.83 118.68 124.46 1npb s LEU 49 Ca 0.04 0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 53.68 1npb s LEU 49 Cb -0.14 -2.54 0.03 0.00 0.03 0.00 0.00 46.19 43.57 1npb s LEU 49 CO -0.02 -0.08 -0.08 -0.55 0.23 0.00 0.00 176.35 175.85 1npb s SER 50 N 1.04 2.57 0.16 2.29 0.15 -0.34 -0.61 113.70 118.97 1npb s SER 50 Ca 0.20 -0.50 -0.31 0.00 0.70 0.00 0.00 55.95 56.03 1npb s SER 50 Cb -0.15 -0.94 -0.09 0.00 -1.71 0.00 0.00 66.02 63.12 1npb s SER 50 CO 0.08 -0.14 1.51 -0.47 1.20 0.00 0.00 173.24 175.43 1npb s TYR 51 N 1.63 3.11 -0.16 3.44 5.04 0.03 -1.14 117.35 129.30 1npb s TYR 51 Ca 0.03 0.74 -0.02 0.00 -2.44 0.00 0.00 57.07 55.38 1npb s TYR 51 Cb -0.14 -3.85 0.05 0.00 0.35 0.00 0.00 41.96 38.37 1npb s TYR 51 CO -0.08 -3.09 0.01 0.34 -1.34 0.00 0.00 175.55 171.38 1npb s ASP 52 N 1.08 2.55 0.66 4.32 -1.08 -0.44 -4.83 116.67 118.93 1npb s ASP 52 Ca 0.68 -0.60 0.36 0.00 -0.52 0.00 0.00 52.55 52.47 1npb s ASP 52 Cb -0.42 -0.63 1.96 0.00 -1.46 0.00 0.00 42.92 42.37 1npb s ASP 52 CO 0.32 -0.25 2.12 -0.08 0.52 0.00 0.00 175.17 177.80 1npb h GLU 53 N 8.23 0.00 0.00 4.34 4.81 -1.93 0.16 114.58 130.19 1npb h GLU 53 Ca -0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1npb h GLU 53 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1npb h GLU 53 CO 0.33 0.00 -0.33 0.00 -0.73 0.00 0.00 179.01 178.28 1npb n ALA 54 N -2.01 3.13 -2.71 2.92 0.00 -1.26 -4.86 120.51 115.72 1npb n ALA 54 Ca -0.02 -0.26 -0.41 0.00 0.00 0.00 0.00 53.44 52.75 1npb n ALA 54 Cb 0.26 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.43 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 -3.00 4.51 0.41 0.00 6.06 0.56 -5.05 118.95 122.44 1npb s ARG 55 Ca 0.12 1.21 0.06 0.00 -2.50 0.00 0.00 55.73 54.62 1npb s ARG 55 Cb 0.18 -3.46 -0.07 0.00 0.06 0.00 0.00 34.95 31.66 1npb s ARG 55 CO 0.64 -0.02 0.02 -0.65 -2.50 0.00 0.00 175.30 172.79 1npb s GLN 56 N 0.97 1.95 0.10 5.12 -0.21 -1.26 -4.53 119.66 121.81 1npb s GLN 56 Ca 0.46 -2.13 -0.31 0.00 0.02 0.00 0.00 55.36 53.40 1npb s GLN 56 Cb -0.20 -1.51 -0.11 0.00 1.00 0.00 0.00 33.01 32.19 1npb s GLN 56 CO 0.24 -0.12 1.86 0.98 -2.12 0.00 0.00 175.29 176.13 1npb n TYR 57 N -0.98 2.59 -3.59 0.91 9.36 -1.26 -4.86 117.16 119.34 1npb n TYR 57 Ca -0.07 -0.18 -0.41 0.00 3.32 0.00 0.00 57.90 60.57 1npb n TYR 57 Cb 0.67 -2.74 -0.11 0.00 -0.63 0.00 0.00 39.34 36.53 1npb n TYR 57 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1npb s VAL 58 N 3.06 4.63 0.47 2.97 1.01 0.20 -5.01 120.40 127.73 1npb s VAL 58 Ca 0.84 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 1npb s VAL 58 Cb -0.48 -3.59 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 1npb s VAL 58 CO 0.39 -0.24 1.42 -2.65 0.00 0.00 0.00 175.10 174.01 1npb n PRO 59 N 5.01 2.15 0.32 2.72 -0.02 -1.26 -4.47 135.00 139.45 1npb n PRO 59 Ca -0.12 0.77 0.21 0.00 -2.02 0.00 0.00 63.50 62.34 1npb n PRO 59 Cb 0.46 -2.62 1.05 0.00 -0.02 0.00 0.00 33.50 32.38 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 2.14 0.00 0.00 0.52 0.13 -1.92 -0.44 132.00 132.44 1npb h PRO 60 Ca -0.51 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 1npb h PRO 60 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1npb h PRO 60 CO 0.60 0.00 -0.22 1.96 -0.23 0.00 0.00 178.00 180.11 1npb h GLN 61 N 0.00 0.00 -0.35 0.86 7.50 -1.98 -3.18 115.11 117.96 1npb h GLN 61 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1npb h GLN 61 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.69 1npb h GLN 61 CO 0.00 0.22 0.00 0.39 -1.50 0.00 0.00 178.83 177.94 1npb n GLU 62 N -3.41 2.47 -4.39 1.46 1.02 -0.18 -4.92 120.64 112.69 1npb n GLU 62 Ca 0.00 -2.25 -0.23 0.00 -0.02 0.00 0.00 57.16 54.66 1npb n GLU 62 Cb 0.42 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.23 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 -1.52 3.10 0.00 1.62 1.04 -1.20 -4.98 113.70 111.76 1npb s SER 63 Ca 0.37 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1npb s SER 63 Cb 0.22 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1npb s SER 63 CO 0.31 0.00 0.00 -0.90 0.98 0.00 0.00 173.24 173.64 1npb n ASP 64 N -0.06 0.00 -0.25 7.02 5.68 -1.26 -4.93 116.55 122.75 1npb n ASP 64 Ca -0.10 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.34 1npb n ASP 64 Cb 0.58 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.26 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 0.00 0.00 -1.70 2.11 9.36 -1.26 -4.85 117.16 120.83 1npb n TYR 65 Ca 0.00 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.80 1npb n TYR 65 Cb 0.00 -0.02 -0.03 0.00 -0.63 0.00 0.00 39.34 38.66 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 -0.41 0.28 -3.64 2.97 -1.04 -1.26 -4.94 114.28 106.23 1npb n THR 66 Ca 0.20 -0.05 -0.10 0.00 -2.04 0.00 0.00 64.05 62.06 1npb n THR 66 Cb 0.25 -2.11 -0.04 0.00 -1.82 0.00 0.00 70.33 66.60 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 2.35 -0.20 -0.23 -1.42 -3.43 -1.26 -4.56 115.29 106.53 1npb s HIS 67 Ca 0.80 -0.11 0.02 0.00 -0.80 0.00 0.00 55.06 54.97 1npb s HIS 67 Cb -0.48 0.32 0.05 0.00 -1.43 0.00 0.00 32.58 31.04 1npb s HIS 67 CO 0.36 -0.77 -0.11 0.71 -2.00 0.00 0.00 174.74 172.92 1npb s TYR 68 N -3.82 2.88 -0.02 0.38 1.51 -0.31 -5.02 117.35 112.96 1npb s TYR 68 Ca 0.05 -2.00 -0.00 0.00 -1.01 0.00 0.00 57.07 54.11 1npb s TYR 68 Cb 0.01 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 40.02 1npb s TYR 68 CO -0.09 -0.83 0.03 0.00 -1.11 0.00 0.00 175.55 173.55 1npb s ALA 69 N 1.24 3.39 -0.04 3.71 0.00 -1.26 -1.33 121.76 127.47 1npb s ALA 69 Ca -0.05 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.07 1npb s ALA 69 Cb -0.18 -1.46 -0.01 0.00 0.00 0.00 0.00 23.12 21.47 1npb s ALA 69 CO -0.07 0.65 -0.19 -0.06 0.00 0.00 0.00 175.76 176.09 1npb s PHE 70 N -1.08 1.81 0.11 0.00 0.40 0.47 -4.92 117.98 114.77 1npb s PHE 70 Ca 0.19 -0.50 -0.31 0.00 -0.60 0.00 0.00 56.93 55.72 1npb s PHE 70 Cb -0.12 -1.21 -0.07 0.00 0.51 0.00 0.00 43.02 42.13 1npb s PHE 70 CO 0.10 -0.15 1.32 0.99 0.70 0.00 0.00 175.22 178.17 1npb s THR 71 N -0.06 3.51 0.11 0.64 2.01 -1.26 -1.56 115.64 119.03 1npb s THR 71 Ca -0.02 1.11 0.09 0.00 0.31 0.00 0.00 61.69 63.18 1npb s THR 71 Cb -0.11 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1npb s THR 71 CO 0.02 0.10 -0.23 0.68 -0.69 0.00 0.00 174.62 174.50 1npb s VAL 72 N 0.92 1.90 0.47 3.82 -7.23 -0.81 -4.90 120.40 114.57 1npb s VAL 72 Ca 0.61 -1.61 -0.24 0.00 -1.81 0.00 0.00 61.98 58.93 1npb s VAL 72 Cb -0.35 -1.71 -0.07 0.00 0.56 0.00 0.00 36.38 34.82 1npb s VAL 72 CO 0.31 -0.00 1.35 0.00 -0.31 0.00 0.00 175.10 176.45 1npb s ALA 73 N -1.12 3.09 0.26 1.32 0.00 -1.26 -4.45 121.76 119.60 1npb s ALA 73 Ca 0.09 1.32 -0.10 0.00 0.00 0.00 0.00 51.96 53.27 1npb s ALA 73 Cb -0.10 -3.54 0.38 0.00 0.00 0.00 0.00 23.12 19.86 1npb s ALA 73 CO 0.05 -1.11 1.58 1.49 0.00 0.00 0.00 175.76 177.77 1npb h GLU 74 N 2.12 -0.00 -0.01 0.00 4.81 -1.99 0.48 114.58 119.99 1npb h GLU 74 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1npb h GLU 74 Cb 1.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.65 1npb h GLU 74 CO 0.60 -0.00 -0.01 -0.85 -0.73 0.00 0.00 179.01 178.02 1npb n GLU 75 N -5.56 1.28 0.01 1.92 0.00 -1.26 -2.67 120.64 114.36 1npb n GLU 75 Ca 0.13 -0.47 0.11 0.00 0.00 0.00 0.00 57.16 56.93 1npb n GLU 75 Cb 0.44 -1.49 -0.08 0.00 0.00 0.00 0.00 31.44 30.31 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 -0.45 0.51 0.13 -1.84 9.92 0.13 -4.64 116.55 120.30 1npb n ASP 76 Ca 0.21 -0.32 -0.13 0.00 -0.53 0.00 0.00 54.79 54.02 1npb n ASP 76 Cb 0.24 1.26 -0.07 0.00 -0.64 0.00 0.00 41.12 41.91 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 -0.36 0.10 1.24 3.57 -1.27 -2.10 116.94 118.13 1npb h PHE 77 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1npb h PHE 77 Cb 0.78 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.66 1npb h PHE 77 CO 0.00 -0.21 -0.05 0.93 -2.23 0.00 0.00 178.31 176.75 1npb h GLU 78 N -0.32 -0.13 -0.90 1.11 4.39 -1.82 -1.45 114.58 115.45 1npb h GLU 78 Ca -0.00 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.80 1npb h GLU 78 Cb 0.29 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 28.91 1npb h GLU 78 CO -0.02 0.18 0.58 -1.35 -1.16 0.00 0.00 179.01 177.24 1npb h PRO 79 N -0.45 0.89 -0.34 2.33 0.11 -1.82 -0.92 132.00 131.79 1npb h PRO 79 Ca -0.01 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.89 1npb h PRO 79 Cb 0.37 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 1npb h PRO 79 CO 0.02 0.59 -0.40 -0.07 -0.21 0.00 0.00 178.00 177.93 1npb h LEU 80 N 0.92 0.94 -0.44 2.35 4.07 -1.38 -0.93 115.31 120.84 1npb h LEU 80 Ca 0.42 -0.48 0.09 0.00 0.08 0.00 0.00 57.88 57.98 1npb h LEU 80 Cb 0.38 -0.27 -0.08 0.00 1.08 0.00 0.00 40.66 41.77 1npb h LEU 80 CO -0.18 1.24 -0.08 0.28 -1.08 0.00 0.00 178.44 178.61 1npb h SER 81 N 0.67 -0.36 0.21 -0.43 0.02 -0.41 0.61 113.55 113.86 1npb h SER 81 Ca 0.05 0.13 -0.12 0.00 -0.84 0.00 0.00 61.79 61.00 1npb h SER 81 Cb 0.99 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1npb h SER 81 CO 0.10 -0.13 -0.47 1.56 -1.14 0.00 0.00 176.83 176.75 1npb h GLN 82 N 0.02 0.31 -0.20 3.45 4.20 -1.10 0.29 115.11 122.09 1npb h GLN 82 Ca 0.21 -0.17 -0.20 0.00 0.06 0.00 0.00 58.65 58.55 1npb h GLN 82 Cb 0.32 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.12 1npb h GLN 82 CO -0.43 0.72 -0.67 -0.09 -0.67 0.00 0.00 178.83 177.68 1npb h ARG 83 N 0.25 0.80 -0.27 1.46 2.43 -0.65 -0.26 114.38 118.16 1npb h ARG 83 Ca 0.02 -0.60 -0.06 0.00 -0.81 0.00 0.00 59.98 58.52 1npb h ARG 83 Cb 0.92 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1npb h ARG 83 CO 0.08 1.22 -0.07 -0.07 -1.51 0.00 0.00 179.97 179.61 1npb h LEU 84 N 0.55 0.53 -0.63 3.80 4.07 -0.65 -1.00 115.31 121.97 1npb h LEU 84 Ca -0.03 -0.37 0.09 0.00 0.08 0.00 0.00 57.88 57.65 1npb h LEU 84 Cb 1.30 -0.15 -0.07 0.00 1.08 0.00 0.00 40.66 42.82 1npb h LEU 84 CO 0.14 0.78 0.25 -0.33 -1.08 0.00 0.00 178.44 178.20 1npb h GLU 85 N 0.28 0.43 0.00 1.13 5.08 -0.31 -2.40 114.58 118.78 1npb h GLU 85 Ca 0.07 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1npb h GLU 85 Cb 0.55 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1npb h GLU 85 CO 0.03 0.28 -0.22 1.96 -1.00 0.00 0.00 179.01 180.06 1npb h GLN 86 N 0.44 0.00 -0.01 2.33 4.20 -0.73 -1.75 115.11 119.60 1npb h GLN 86 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1npb h GLN 86 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1npb h GLN 86 CO -0.30 0.22 0.00 0.00 -0.67 0.00 0.00 178.83 178.08 1npb n ALA 87 N -2.20 2.65 -1.53 3.87 0.00 -0.41 -4.90 120.51 117.99 1npb n ALA 87 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1npb n ALA 87 Cb 0.48 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 0.99 0.50 3.76 0.00 0.00 -0.66 -5.03 105.19 104.75 1npb n GLY 88 Ca 0.21 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 1npb n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1npb s VAL 89 N -2.00 2.82 -0.19 1.61 0.11 -1.07 -5.03 120.40 116.64 1npb s VAL 89 Ca 0.00 0.49 -0.13 0.00 -2.93 0.00 0.00 61.98 59.41 1npb s VAL 89 Cb 0.00 -3.17 -0.05 0.00 -1.53 0.00 0.00 36.38 31.64 1npb s VAL 89 CO 0.00 -0.13 0.26 -0.89 -3.33 0.00 0.00 175.10 171.01 1npb s THR 90 N -1.73 5.32 -0.12 5.04 2.01 -1.26 -4.85 115.64 120.05 1npb s THR 90 Ca 0.75 0.43 -0.16 0.00 0.31 0.00 0.00 61.69 63.02 1npb s THR 90 Cb -0.28 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 1npb s THR 90 CO 0.33 0.36 0.40 -0.63 -0.69 0.00 0.00 174.62 174.38 1npb s ILE 91 N 0.75 5.22 -1.71 1.82 1.01 -1.26 -1.06 121.20 125.96 1npb s ILE 91 Ca 0.13 0.78 0.19 0.00 0.00 0.00 0.00 60.65 61.76 1npb s ILE 91 Cb -0.13 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 1npb s ILE 91 CO 0.04 0.38 0.96 -2.67 0.00 0.00 0.00 174.94 173.64 1npb n TRP 92 N 3.42 0.00 -3.63 3.97 4.27 0.50 -4.96 117.44 121.01 1npb n TRP 92 Ca -0.10 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.39 1npb n TRP 92 Cb 0.52 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.40 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 -2.19 0.74 0.06 -2.67 2.20 -1.25 -5.07 119.74 111.56 1npb s LYS 93 Ca 0.15 0.92 -0.28 0.00 -0.36 0.00 0.00 55.97 56.41 1npb s LYS 93 Cb 0.15 0.33 -0.05 0.00 -1.51 0.00 0.00 37.83 36.76 1npb s LYS 93 CO 0.49 -0.10 0.89 -1.14 -0.36 0.00 0.00 175.35 175.14 1npb s GLN 94 N 0.51 4.59 -0.09 4.03 0.74 -1.26 -4.41 119.66 123.77 1npb s GLN 94 Ca -0.01 1.29 -0.30 0.00 0.05 0.00 0.00 55.36 56.40 1npb s GLN 94 Cb -0.05 -3.40 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 1npb s GLN 94 CO -0.03 0.17 1.40 1.21 -0.55 0.00 0.00 175.29 177.49 1npb s ASN 95 N 0.25 6.85 0.00 6.67 2.47 -1.26 -4.88 114.94 125.04 1npb s ASN 95 Ca 0.45 1.94 0.01 0.00 0.42 0.00 0.00 52.86 55.68 1npb s ASN 95 Cb -0.22 -2.54 0.01 0.00 -1.45 0.00 0.00 41.25 37.05 1npb s ASN 95 CO 0.27 -0.79 0.68 0.29 -3.72 0.00 0.00 177.10 173.83 1npb n LYS 96 N 6.45 0.37 0.03 0.43 5.02 -1.26 -4.77 118.16 124.43 1npb n LYS 96 Ca 0.15 -0.87 0.13 0.00 -2.02 0.00 0.00 58.31 55.69 1npb n LYS 96 Cb 0.44 -1.01 0.52 0.00 -0.02 0.00 0.00 35.03 34.95 1npb n LYS 96 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1npb n SER 97 N -0.12 0.21 0.00 4.39 7.64 -1.26 -4.98 113.62 119.50 1npb n SER 97 Ca 0.01 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.41 1npb n SER 97 Cb 0.10 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1npb n SER 97 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1npb n GLU 98 N -1.70 0.00 -1.59 1.43 0.00 -1.26 -4.96 120.64 112.56 1npb n GLU 98 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 57.16 56.97 1npb n GLU 98 Cb 0.32 -3.21 0.17 0.00 0.00 0.00 0.00 31.44 28.73 1npb n GLU 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1npb n GLY 99 N -1.99 -1.42 3.38 -1.84 0.00 -1.26 -5.06 105.19 97.00 1npb n GLY 99 Ca 0.00 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 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 -3.96 3.25 -0.01 4.61 0.00 -1.26 -5.00 121.76 119.39 1npb s ALA 100 Ca 0.63 -1.63 -0.00 0.00 0.00 0.00 0.00 51.96 50.95 1npb s ALA 100 Cb -0.02 -2.51 0.01 0.00 0.00 0.00 0.00 23.12 20.60 1npb s ALA 100 CO 0.44 -1.25 0.02 -1.12 0.00 0.00 0.00 175.76 173.85 1npb s SER 101 N 1.56 -0.00 -0.11 0.00 0.01 -1.26 -2.31 113.70 111.58 1npb s SER 101 Ca 0.02 0.04 -0.01 0.00 1.31 0.00 0.00 55.95 57.32 1npb s SER 101 Cb -0.19 0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.08 1npb s SER 101 CO 0.06 -0.03 -0.07 0.12 0.41 0.00 0.00 173.24 173.73 1npb s PHE 102 N 0.24 1.41 -0.36 2.43 5.36 0.01 -4.56 117.98 122.50 1npb s PHE 102 Ca -0.02 -0.70 -0.07 0.00 -0.96 0.00 0.00 56.93 55.17 1npb s PHE 102 Cb -0.03 -1.19 0.05 0.00 -0.34 0.00 0.00 43.02 41.51 1npb s PHE 102 CO -0.01 -0.50 0.16 0.71 -1.46 0.00 0.00 175.22 174.12 1npb s TYR 103 N 1.73 3.29 0.14 10.12 1.51 -1.26 -0.42 117.35 132.46 1npb s TYR 103 Ca 0.05 -1.45 0.02 0.00 -1.01 0.00 0.00 57.07 54.68 1npb s TYR 103 Cb -0.13 -2.50 -0.04 0.00 -0.11 0.00 0.00 41.96 39.18 1npb s TYR 103 CO -0.08 -0.76 -0.03 -0.59 -1.11 0.00 0.00 175.55 172.98 1npb s PHE 104 N 1.41 1.08 0.01 2.71 -0.12 -0.44 -0.37 117.98 122.26 1npb s PHE 104 Ca 0.00 -0.97 -0.01 0.00 -0.05 0.00 0.00 56.93 55.91 1npb s PHE 104 Cb -0.20 -0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 41.53 1npb s PHE 104 CO 0.03 -0.18 0.13 -0.51 -0.05 0.00 0.00 175.22 174.64 1npb s LEU 105 N -3.12 4.11 0.85 -1.99 1.43 -0.23 -0.16 118.68 119.57 1npb s LEU 105 Ca 0.19 0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 53.38 1npb s LEU 105 Cb 0.06 -2.50 0.10 0.00 0.03 0.00 0.00 46.19 43.88 1npb s LEU 105 CO 0.00 0.24 1.17 1.51 0.23 0.00 0.00 176.35 179.50 1npb s ASP 106 N -1.98 4.15 0.59 2.29 -4.77 -0.12 -4.55 116.67 112.28 1npb s ASP 106 Ca 0.27 0.84 0.29 0.00 -3.30 0.00 0.00 52.55 50.64 1npb s ASP 106 Cb -0.12 -1.35 1.59 0.00 -1.09 0.00 0.00 42.92 41.95 1npb s ASP 106 CO 0.18 -2.13 2.02 -0.65 0.70 0.00 0.00 175.17 175.29 1npb h PRO 107 N -1.21 0.00 -0.01 2.11 0.11 -1.93 -0.61 132.00 130.45 1npb h PRO 107 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1npb h PRO 107 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1npb h PRO 107 CO 0.64 0.00 -0.40 -0.25 -0.21 0.00 0.00 178.00 177.78 1npb n ASP 108 N -3.76 1.62 0.00 -2.05 8.00 -1.26 -4.84 116.55 114.25 1npb n ASP 108 Ca 0.04 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.28 1npb n ASP 108 Cb 0.45 0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 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 1.39 0.69 3.65 0.44 0.00 -0.24 -0.63 105.19 110.49 1npb n GLY 109 Ca 0.10 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.76 2.02 -2.83 1.61 8.25 -1.26 -4.71 115.22 116.54 1npb n HIS 110 Ca 0.00 0.41 -0.42 0.00 -0.26 0.00 0.00 57.72 57.45 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 0.43 3.99 0.35 -0.41 1.02 -1.26 -0.95 119.74 122.91 1npb s LYS 111 Ca 0.77 0.75 0.09 0.00 0.02 0.00 0.00 55.97 57.60 1npb s LYS 111 Cb -0.74 -3.73 -0.05 0.00 -0.52 0.00 0.00 37.83 32.78 1npb s LYS 111 CO 0.43 -0.76 0.06 -0.51 -0.92 0.00 0.00 175.35 173.65 1npb s LEU 112 N 3.20 3.05 -0.12 3.17 1.43 0.77 -1.16 118.68 129.03 1npb s LEU 112 Ca 0.37 -0.97 -0.10 0.00 -1.03 0.00 0.00 54.13 52.41 1npb s LEU 112 Cb -0.13 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.69 1npb s LEU 112 CO 0.13 -0.29 0.30 -0.70 0.23 0.00 0.00 176.35 176.03 1npb s GLU 113 N -3.76 0.34 -0.05 1.70 2.12 -0.44 -1.33 118.70 117.27 1npb s GLU 113 Ca 0.36 0.46 -0.11 0.00 0.36 0.00 0.00 54.97 56.04 1npb s GLU 113 Cb 0.00 0.12 -0.05 0.00 0.26 0.00 0.00 34.13 34.46 1npb s GLU 113 CO 0.20 -0.07 0.28 -0.51 -0.54 0.00 0.00 175.26 174.63 1npb s LEU 114 N 0.39 4.43 -0.12 2.70 1.43 0.44 -0.39 118.68 127.56 1npb s LEU 114 Ca -0.02 0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 53.69 1npb s LEU 114 Cb -0.04 -2.37 0.03 0.00 0.03 0.00 0.00 46.19 43.84 1npb s LEU 114 CO -0.02 0.36 0.33 -2.28 0.23 0.00 0.00 176.35 174.97 1npb s HIS 115 N -1.08 -0.35 -0.14 0.29 2.46 -0.60 -0.81 115.29 115.05 1npb s HIS 115 Ca 0.20 0.85 -0.04 0.00 0.47 0.00 0.00 55.06 56.54 1npb s HIS 115 Cb -0.14 0.12 -0.03 0.00 -0.13 0.00 0.00 32.58 32.40 1npb s HIS 115 CO 0.10 -0.20 -0.01 0.08 -2.47 0.00 0.00 174.74 172.24 1npb s VAL 116 N 0.04 4.19 0.00 0.89 1.01 -0.98 -1.93 120.40 123.63 1npb s VAL 116 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1npb s VAL 116 Cb -0.03 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1npb s VAL 116 CO 0.01 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1npb n GLY 117 N 3.14 3.77 3.97 4.51 0.00 -1.26 -4.40 105.19 114.92 1npb n GLY 117 Ca -0.18 -1.37 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 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 3.80 0.14 1.61 1.04 -1.26 -4.96 113.70 114.08 1npb s SER 118 Ca 0.00 -0.14 -0.14 0.00 0.48 0.00 0.00 55.95 56.15 1npb s SER 118 Cb 0.00 -0.08 0.01 0.00 0.10 0.00 0.00 66.02 66.05 1npb s SER 118 CO 0.00 -2.25 1.65 0.25 0.98 0.00 0.00 173.24 173.88 1npb h LEU 119 N -1.00 0.68 -0.88 2.42 5.85 -2.00 -2.35 115.31 118.03 1npb h LEU 119 Ca -0.39 -0.22 0.13 0.00 0.84 0.00 0.00 57.88 58.24 1npb h LEU 119 Cb 1.25 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 42.02 1npb h LEU 119 CO 0.38 0.72 0.50 0.00 -0.34 0.00 0.00 178.44 179.70 1npb h ALA 120 N 0.98 1.32 -0.11 1.25 0.00 -1.99 0.97 119.26 121.69 1npb h ALA 120 Ca 0.15 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 1npb h ALA 120 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1npb h ALA 120 CO -0.00 0.03 -0.60 0.00 0.00 0.00 0.00 179.25 178.68 1npb h ALA 121 N 1.53 0.77 0.15 0.00 0.00 -1.91 -0.93 119.26 118.87 1npb h ALA 121 Ca 0.46 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1npb h ALA 121 Cb 0.56 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1npb h ALA 121 CO -0.31 0.72 -0.07 -0.09 0.00 0.00 0.00 179.25 179.49 1npb h ARG 122 N 0.27 -0.20 -0.66 0.00 9.65 -0.79 -1.08 114.38 121.57 1npb h ARG 122 Ca -0.01 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.93 1npb h ARG 122 Cb 1.13 0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.71 1npb h ARG 122 CO 0.10 -0.07 0.40 -0.07 2.80 0.00 0.00 179.97 183.13 1npb h LEU 123 N -0.28 0.64 -0.30 3.80 3.38 -0.67 0.11 115.31 121.98 1npb h LEU 123 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1npb h LEU 123 Cb 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1npb h LEU 123 CO 0.03 0.43 0.20 0.00 0.09 0.00 0.00 178.44 179.20 1npb h ALA 124 N 1.30 0.38 -0.51 1.53 0.00 -1.08 0.24 119.26 121.12 1npb h ALA 124 Ca 0.27 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.23 1npb h ALA 124 Cb 0.07 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 1npb h ALA 124 CO -0.13 -0.14 0.19 0.00 0.00 0.00 0.00 179.25 179.16 1npb h ALA 125 N 1.11 0.63 -0.51 0.00 0.00 -0.67 -2.14 119.26 117.69 1npb h ALA 125 Ca 0.11 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 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 -0.02 -0.21 0.17 0.00 0.00 0.00 0.00 179.25 179.18 1npb h ARG 127 N 0.73 0.00 0.03 0.00 2.47 0.07 -0.06 114.38 117.63 1npb h ARG 127 Ca 0.17 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.89 1npb h ARG 127 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1npb h ARG 127 CO -0.01 0.04 -0.01 1.49 0.56 0.00 0.00 179.97 182.04 1npb h GLU 128 N 0.00 -0.04 -3.07 0.04 4.57 -0.34 -3.40 114.58 112.35 1npb h GLU 128 Ca -0.00 0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.56 1npb h GLU 128 Cb 0.08 0.01 -0.40 0.00 -0.16 0.00 0.00 28.75 28.28 1npb h GLU 128 CO 0.01 0.65 -0.70 0.15 -1.18 0.00 0.00 179.01 177.93 1npb s LYS 129 N -2.65 1.56 0.48 1.92 1.02 0.19 -5.11 119.74 117.16 1npb s LYS 129 Ca -0.15 -2.30 -0.23 0.00 0.02 0.00 0.00 55.97 53.31 1npb s LYS 129 Cb -0.01 -2.65 -0.07 0.00 -0.52 0.00 0.00 37.83 34.58 1npb s LYS 129 CO 0.56 -1.17 1.21 -1.25 -0.92 0.00 0.00 175.35 173.78 1npb s PRO 130 N -0.01 3.61 0.68 -1.68 0.04 -0.04 -4.47 135.00 133.13 1npb s PRO 130 Ca 0.19 1.89 -0.14 0.00 0.04 0.00 0.00 61.00 62.98 1npb s PRO 130 Cb -0.21 -2.38 0.01 0.00 0.04 0.00 0.00 34.50 31.96 1npb s PRO 130 CO -0.02 -0.71 1.11 0.71 0.04 0.00 0.00 177.00 178.13 1npb s TYR 131 N -1.48 2.58 -0.04 0.56 4.12 -1.26 -4.95 117.35 116.88 1npb s TYR 131 Ca 0.65 1.56 -0.38 0.00 0.02 0.00 0.00 57.07 58.92 1npb s TYR 131 Cb -0.32 -3.17 -0.17 0.00 -1.52 0.00 0.00 41.96 36.79 1npb s TYR 131 CO 0.38 -1.76 1.46 0.00 0.02 0.00 0.00 175.55 175.65 1npb n ALA 132 N -2.59 -0.85 -1.01 3.71 0.00 -1.26 -1.44 120.51 117.07 1npb n ALA 132 Ca 0.10 0.48 -0.00 0.00 0.00 0.00 0.00 53.44 54.02 1npb n ALA 132 Cb 0.52 -2.11 -0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 3.03 0.46 3.74 0.00 0.00 -1.26 -4.97 105.19 106.18 1npb n GLY 133 Ca 0.21 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1npb n GLY 133 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1npb s MET 134 N -0.56 4.22 -0.07 1.61 1.75 -0.52 -4.99 119.30 120.73 1npb s MET 134 Ca 0.00 2.37 -0.00 0.00 -1.25 0.00 0.00 55.69 56.81 1npb s MET 134 Cb 0.00 -3.11 0.02 0.00 2.84 0.00 0.00 34.83 34.59 1npb s MET 134 CO 0.00 -0.52 -0.03 0.08 -0.65 0.00 0.00 175.02 173.90 1npb s VAL 135 N 0.35 0.61 -0.24 10.11 1.01 -1.26 -5.01 120.40 125.97 1npb s VAL 135 Ca 0.63 -0.06 -0.15 0.00 0.00 0.00 0.00 61.98 62.41 1npb s VAL 135 Cb -0.44 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1npb s VAL 135 CO 0.40 0.28 0.36 -0.36 0.00 0.00 0.00 175.10 175.78 1npb s PHE 136 N 1.60 3.31 -1.38 5.22 0.40 -1.26 -4.96 117.98 120.92 1npb s PHE 136 Ca 0.00 0.48 0.00 0.00 -0.60 0.00 0.00 56.93 56.81 1npb s PHE 136 Cb -0.13 -2.52 0.00 0.00 0.51 0.00 0.00 43.02 40.89 1npb s PHE 136 CO -0.04 -0.10 0.38 2.41 0.70 0.00 0.00 175.22 178.57 1npb n THR 137 N 4.67 0.06 -0.74 0.64 -1.04 -1.26 -5.28 114.28 111.34 1npb n THR 137 Ca -0.09 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1npb n THR 137 Cb 0.51 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.00 1npb n THR 137 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19