#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ncq s TYR 9 N 0.00 3.56 0.16 1.61 1.51 -1.26 -5.04 117.35 117.89 1ncq s TYR 9 Ca 0.00 1.51 0.10 0.00 -1.01 0.00 0.00 57.07 57.67 1ncq s TYR 9 Cb 0.00 -3.28 -0.04 0.00 -0.11 0.00 0.00 41.96 38.53 1ncq s TYR 9 CO 0.00 -0.68 -0.22 0.45 -1.11 0.00 0.00 175.55 173.99 1ncq s SER 10 N 0.66 2.97 0.59 2.29 0.15 -1.26 -5.00 113.70 114.09 1ncq s SER 10 Ca 0.54 -0.81 0.34 0.00 0.70 0.00 0.00 55.95 56.72 1ncq s SER 10 Cb -0.27 -0.19 1.83 0.00 -1.71 0.00 0.00 66.02 65.68 1ncq s SER 10 CO 0.30 0.06 2.19 0.44 1.20 0.00 0.00 173.24 177.44 1ncq h ASP 11 N 3.50 0.00 0.70 5.45 5.19 -1.96 -2.81 116.42 126.49 1ncq h ASP 11 Ca -0.46 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 55.69 1ncq h ASP 11 Cb 1.20 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 1ncq h ASP 11 CO 0.46 0.04 -1.22 0.03 -3.12 0.00 0.00 179.24 175.43 1ncq h ARG 12 N 0.00 0.20 -5.18 3.56 2.47 -1.90 -2.71 114.38 110.82 1ncq h ARG 12 Ca -0.00 -0.34 -0.61 0.00 -1.26 0.00 0.00 59.98 57.77 1ncq h ARG 12 Cb 0.19 0.13 -0.13 0.00 -1.65 0.00 0.00 29.97 28.50 1ncq h ARG 12 CO 0.01 1.14 -0.48 0.08 0.56 0.00 0.00 179.97 181.27 1ncq s VAL 13 N -2.66 5.38 0.06 2.04 1.01 -1.06 -0.51 120.40 124.65 1ncq s VAL 13 Ca -0.03 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 1ncq s VAL 13 Cb 0.08 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.97 1ncq s VAL 13 CO 0.86 0.38 0.23 -1.10 0.00 0.00 0.00 175.10 175.48 1ncq s GLN 14 N 0.75 0.79 -0.02 2.72 -0.21 -0.27 -4.67 119.66 118.75 1ncq s GLN 14 Ca 0.08 -0.70 0.01 0.00 0.02 0.00 0.00 55.36 54.78 1ncq s GLN 14 Cb -0.12 0.33 0.01 0.00 1.00 0.00 0.00 33.01 34.23 1ncq s GLN 14 CO 0.02 -0.25 -0.03 -1.14 -2.12 0.00 0.00 175.29 171.77 1ncq s GLN 15 N -3.00 0.50 -0.11 2.91 0.74 -1.26 -1.83 119.66 117.61 1ncq s GLN 15 Ca -0.02 -0.09 0.00 0.00 0.05 0.00 0.00 55.36 55.31 1ncq s GLN 15 Cb 0.01 -0.54 0.02 0.00 1.10 0.00 0.00 33.01 33.60 1ncq s GLN 15 CO -0.06 -0.01 -0.10 0.42 -0.55 0.00 0.00 175.29 174.99 1ncq s ILE 16 N 0.49 1.14 -0.18 -2.34 1.01 -0.22 -4.97 121.20 116.14 1ncq s ILE 16 Ca -0.06 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.22 1ncq s ILE 16 Cb -0.09 -1.12 0.01 0.00 0.01 0.00 0.00 42.46 41.28 1ncq s ILE 16 CO -0.00 0.38 -0.18 -0.89 0.00 0.00 0.00 174.94 174.24 1ncq s THR 17 N 1.48 2.23 -0.09 2.92 2.01 -1.26 -0.49 115.64 122.44 1ncq s THR 17 Ca 0.01 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.11 1ncq s THR 17 Cb -0.13 -1.94 0.03 0.00 0.01 0.00 0.00 72.50 70.47 1ncq s THR 17 CO -0.06 0.53 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.63 1ncq s LEU 18 N 1.21 0.74 0.00 4.42 1.02 -0.26 -5.01 118.68 120.79 1ncq s LEU 18 Ca 0.03 -0.19 0.00 0.00 0.02 0.00 0.00 54.13 53.99 1ncq s LEU 18 Cb -0.14 -0.52 0.00 0.00 0.02 0.00 0.00 46.19 45.55 1ncq s LEU 18 CO -0.09 -0.19 0.00 0.61 0.02 0.00 0.00 176.35 176.69 1ncq n GLY 19 N 5.11 2.85 1.43 -3.19 0.00 -1.17 -1.82 105.19 108.39 1ncq n GLY 19 Ca -0.08 -0.23 0.05 0.00 0.00 0.00 0.00 46.02 45.76 1ncq n GLY 19 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ncq n ASN 20 N 6.53 4.60 -4.27 1.61 2.04 -1.26 -4.94 115.26 119.56 1ncq n ASN 20 Ca 0.00 -3.07 -0.31 0.00 -0.44 0.00 0.00 54.58 50.76 1ncq n ASN 20 Cb 0.00 -0.63 -0.16 0.00 -2.53 0.00 0.00 39.78 36.45 1ncq n ASN 20 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1ncq s SER 21 N -1.44 3.01 0.02 0.53 1.04 -0.76 -5.07 113.70 111.03 1ncq s SER 21 Ca 0.49 -0.49 0.04 0.00 0.48 0.00 0.00 55.95 56.47 1ncq s SER 21 Cb 0.39 -0.67 -0.02 0.00 0.10 0.00 0.00 66.02 65.82 1ncq s SER 21 CO 0.11 0.26 -0.13 -0.89 0.98 0.00 0.00 173.24 173.58 1ncq s THR 22 N -0.29 0.98 -0.03 2.02 2.01 -1.26 -1.11 115.64 117.97 1ncq s THR 22 Ca 0.01 -0.81 0.06 0.00 0.31 0.00 0.00 61.69 61.25 1ncq s THR 22 Cb -0.12 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 1ncq s THR 22 CO 0.02 0.06 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.18 1ncq s ILE 23 N -0.67 1.68 0.11 1.82 1.01 0.35 -4.97 121.20 120.53 1ncq s ILE 23 Ca 0.02 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.84 1ncq s ILE 23 Cb -0.07 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 1ncq s ILE 23 CO 0.01 0.48 -0.16 0.42 0.00 0.00 0.00 174.94 175.68 1ncq s THR 24 N -0.36 1.38 -0.19 2.92 -4.23 -1.26 -1.06 115.64 112.85 1ncq s THR 24 Ca 0.05 -1.59 -0.14 0.00 -1.18 0.00 0.00 61.69 58.83 1ncq s THR 24 Cb -0.09 -1.44 0.05 0.00 1.34 0.00 0.00 72.50 72.36 1ncq s THR 24 CO 0.00 -0.29 0.48 0.28 -0.54 0.00 0.00 174.62 174.55 1ncq s THR 25 N -1.71 -0.01 -1.28 3.99 -1.32 -0.76 -4.99 115.64 109.55 1ncq s THR 25 Ca 0.06 0.03 0.12 0.00 -1.21 0.00 0.00 61.69 60.70 1ncq s THR 25 Cb -0.07 -0.68 0.24 0.00 -1.51 0.00 0.00 72.50 70.47 1ncq s THR 25 CO 0.03 0.01 1.11 0.00 -2.21 0.00 0.00 174.62 173.57 1ncq n GLN 26 N 3.47 1.92 -2.99 7.08 6.02 -1.25 -1.11 117.38 130.51 1ncq n GLN 26 Ca -0.18 -1.73 -0.14 0.00 -0.01 0.00 0.00 57.00 54.94 1ncq n GLN 26 Cb 0.56 -1.28 -0.00 0.00 1.02 0.00 0.00 30.24 30.55 1ncq n GLN 26 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1ncq n GLU 27 N 0.67 1.03 -2.67 -1.09 1.02 -0.99 -4.45 120.64 114.17 1ncq n GLU 27 Ca 0.11 -3.21 -0.23 0.00 -0.02 0.00 0.00 57.16 53.81 1ncq n GLU 27 Cb 0.39 -1.48 0.09 0.00 -0.02 0.00 0.00 31.44 30.42 1ncq n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ncq s ALA 28 N -2.39 3.91 -0.44 0.62 0.00 0.34 -2.54 121.76 121.25 1ncq s ALA 28 Ca 0.35 -1.75 0.09 0.00 0.00 0.00 0.00 51.96 50.64 1ncq s ALA 28 Cb 0.38 -1.92 0.30 0.00 0.00 0.00 0.00 23.12 21.88 1ncq s ALA 28 CO -0.04 -1.26 0.69 0.00 0.00 0.00 0.00 175.76 175.14 1ncq n ALA 29 N -2.67 2.81 -0.82 0.00 0.00 -1.26 -4.12 120.51 114.46 1ncq n ALA 29 Ca 0.14 -3.77 0.00 0.00 0.00 0.00 0.00 53.44 49.81 1ncq n ALA 29 Cb 0.61 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1ncq n ALA 29 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ncq n ASN 30 N 0.68 -1.06 -3.63 0.00 4.05 -1.02 -4.87 115.26 109.40 1ncq n ASN 30 Ca 0.25 0.00 -0.16 0.00 0.45 0.00 0.00 54.58 55.13 1ncq n ASN 30 Cb 0.54 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.48 1ncq n ASN 30 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ncq s ALA 31 N -1.82 -1.37 -0.14 5.20 0.00 -1.26 -4.64 121.76 117.74 1ncq s ALA 31 Ca 0.00 1.06 -0.06 0.00 0.00 0.00 0.00 51.96 52.96 1ncq s ALA 31 Cb 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1ncq s ALA 31 CO 0.00 -0.31 0.08 0.08 0.00 0.00 0.00 175.76 175.61 1ncq s VAL 32 N -0.91 4.98 -0.34 0.00 1.01 -0.20 -5.01 120.40 119.93 1ncq s VAL 32 Ca -0.09 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.90 1ncq s VAL 32 Cb -0.03 -3.18 0.08 0.00 0.00 0.00 0.00 36.38 33.25 1ncq s VAL 32 CO 0.06 0.55 0.06 -0.69 0.00 0.00 0.00 175.10 175.08 1ncq s VAL 33 N -0.47 2.81 -0.44 2.92 1.01 -1.26 0.22 120.40 125.19 1ncq s VAL 33 Ca 0.10 -1.83 -0.46 0.00 0.00 0.00 0.00 61.98 59.80 1ncq s VAL 33 Cb -0.12 -2.81 -0.19 0.00 0.00 0.00 0.00 36.38 33.26 1ncq s VAL 33 CO 0.02 -0.38 1.60 0.00 0.00 0.00 0.00 175.10 176.34 1ncq n TYR 35 N 4.10 -1.41 -2.82 0.00 4.01 -1.26 -1.58 117.16 118.20 1ncq n TYR 35 Ca 0.30 0.04 -0.19 0.00 -0.16 0.00 0.00 57.90 57.89 1ncq n TYR 35 Cb -0.02 -2.93 0.00 0.00 -0.31 0.00 0.00 39.34 36.08 1ncq n TYR 35 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ncq n ALA 36 N -2.31 -0.88 -3.88 -0.72 0.00 0.76 -4.97 120.51 108.51 1ncq n ALA 36 Ca -0.15 0.15 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1ncq n ALA 36 Cb 0.61 -2.53 -0.17 0.00 0.00 0.00 0.00 19.45 17.37 1ncq n ALA 36 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ncq s GLU 37 N -5.45 1.95 0.35 0.00 2.02 -0.61 -5.08 118.70 111.87 1ncq s GLU 37 Ca 0.18 -0.43 -0.25 0.00 0.02 0.00 0.00 54.97 54.48 1ncq s GLU 37 Cb -0.09 -1.82 -0.10 0.00 0.10 0.00 0.00 34.13 32.22 1ncq s GLU 37 CO 0.22 -0.20 0.99 -0.46 0.02 0.00 0.00 175.26 175.82 1ncq s TRP 38 N 1.43 3.52 0.61 1.61 -0.11 -1.26 -4.22 118.94 120.53 1ncq s TRP 38 Ca 0.02 1.72 -0.19 0.00 1.22 0.00 0.00 56.10 58.87 1ncq s TRP 38 Cb -0.13 -3.00 -0.03 0.00 -1.50 0.00 0.00 33.47 28.81 1ncq s TRP 38 CO -0.07 -0.12 1.27 -1.25 -4.62 0.00 0.00 176.95 172.16 1ncq s PRO 39 N -2.25 2.79 0.14 5.86 0.04 -1.26 -4.88 135.00 135.45 1ncq s PRO 39 Ca 0.53 2.01 -0.09 0.00 0.04 0.00 0.00 61.00 63.49 1ncq s PRO 39 Cb -0.20 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.40 1ncq s PRO 39 CO 0.25 -1.40 0.27 -1.83 0.04 0.00 0.00 177.00 174.33 1ncq s GLU 40 N -3.28 1.08 0.77 4.56 -1.05 -1.26 -4.95 118.70 114.57 1ncq s GLU 40 Ca 0.79 -1.10 -0.12 0.00 -0.15 0.00 0.00 54.97 54.40 1ncq s GLU 40 Cb -0.36 0.37 0.05 0.00 -0.44 0.00 0.00 34.13 33.76 1ncq s GLU 40 CO 0.38 -0.39 1.12 0.71 0.95 0.00 0.00 175.26 178.04 1ncq s TYR 41 N -3.93 3.05 -0.26 4.83 1.51 -1.26 -4.89 117.35 116.40 1ncq s TYR 41 Ca 0.13 0.97 -0.29 0.00 -1.01 0.00 0.00 57.07 56.87 1ncq s TYR 41 Cb 0.04 -3.22 0.00 0.00 -0.11 0.00 0.00 41.96 38.66 1ncq s TYR 41 CO -0.03 -1.56 1.22 -1.17 -1.11 0.00 0.00 175.55 172.90 1ncq s LEU 42 N -5.56 4.00 0.45 -1.29 2.96 -1.26 -5.02 118.68 112.96 1ncq s LEU 42 Ca 0.60 1.33 -0.21 0.00 -0.22 0.00 0.00 54.13 55.63 1ncq s LEU 42 Cb -0.12 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.94 1ncq s LEU 42 CO 0.52 -0.91 1.00 -2.16 -1.32 0.00 0.00 176.35 173.48 1ncq s PRO 43 N 3.79 4.02 0.25 0.98 0.04 -1.26 -4.91 135.00 137.91 1ncq s PRO 43 Ca 0.52 1.29 -0.04 0.00 0.04 0.00 0.00 61.00 62.81 1ncq s PRO 43 Cb -0.17 -2.20 0.49 0.00 0.04 0.00 0.00 34.50 32.66 1ncq s PRO 43 CO 0.17 -0.23 1.69 -0.44 0.04 0.00 0.00 177.00 178.24 1ncq h ASP 44 N 1.85 0.05 -0.32 6.66 3.45 -1.95 -1.19 116.42 124.96 1ncq h ASP 44 Ca -0.49 0.15 0.09 0.00 0.43 0.00 0.00 57.03 57.21 1ncq h ASP 44 Cb 1.20 0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 40.15 1ncq h ASP 44 CO 0.60 -0.03 0.29 1.62 -1.57 0.00 0.00 179.24 180.15 1ncq h VAL 45 N 0.29 0.59 0.00 -1.35 3.04 -2.03 -2.06 116.25 114.72 1ncq h VAL 45 Ca 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.12 1ncq h VAL 45 Cb 0.74 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 1ncq h VAL 45 CO -0.51 0.00 -1.47 0.47 -1.01 0.00 0.00 177.57 175.05 1ncq n ASP 46 N -4.04 0.52 -4.77 3.17 10.43 -0.49 -5.00 116.55 116.38 1ncq n ASP 46 Ca 0.05 -0.52 -0.35 0.00 2.57 0.00 0.00 54.79 56.54 1ncq n ASP 46 Cb 0.45 1.47 0.01 0.00 1.84 0.00 0.00 41.12 44.89 1ncq n ASP 46 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ncq s ALA 47 N -3.25 2.66 0.07 2.24 0.00 -0.78 -4.70 121.76 118.01 1ncq s ALA 47 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1ncq s ALA 47 Cb 0.15 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1ncq s ALA 47 CO 0.89 -0.89 0.00 0.45 0.00 0.00 0.00 175.76 176.21 1ncq n SER 48 N -1.35 0.30 -4.67 0.00 2.88 -1.26 -5.03 113.62 104.49 1ncq n SER 48 Ca 0.12 0.11 -0.47 0.00 -1.33 0.00 0.00 58.87 57.31 1ncq n SER 48 Cb 0.50 -0.04 -0.04 0.00 -0.75 0.00 0.00 64.21 63.88 1ncq n SER 48 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1ncq n ASP 49 N -3.12 3.27 -0.01 -3.46 4.64 -1.26 -4.88 116.55 111.72 1ncq n ASP 49 Ca 0.00 1.04 0.14 0.00 -1.38 0.00 0.00 54.79 54.59 1ncq n ASP 49 Cb 0.19 -1.42 0.58 0.00 -1.04 0.00 0.00 41.12 39.43 1ncq n ASP 49 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 1ncq n VAL 50 N 4.06 0.00 -2.22 5.18 0.24 -1.26 -4.91 118.33 119.42 1ncq n VAL 50 Ca 0.19 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.34 62.08 1ncq n VAL 50 Cb 0.30 -0.33 -0.03 0.00 -1.47 0.00 0.00 33.84 32.31 1ncq n VAL 50 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1ncq s ASN 51 N -2.88 6.92 0.18 -1.34 0.01 -1.26 -4.97 114.94 111.60 1ncq s ASN 51 Ca 0.17 2.56 -0.30 0.00 -0.71 0.00 0.00 52.86 54.58 1ncq s ASN 51 Cb 0.19 -2.64 -0.09 0.00 0.41 0.00 0.00 41.25 39.12 1ncq s ASN 51 CO 0.54 -0.42 1.36 -0.75 -1.51 0.00 0.00 177.10 176.33 1ncq s LYS 52 N -1.70 4.34 0.49 -0.60 2.20 -1.26 -4.96 119.74 118.25 1ncq s LYS 52 Ca 0.48 2.11 -0.05 0.00 -0.36 0.00 0.00 55.97 58.15 1ncq s LYS 52 Cb -0.37 -3.19 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 1ncq s LYS 52 CO 0.49 -0.34 0.78 0.95 -0.36 0.00 0.00 175.35 176.87 1ncq s THR 53 N 0.40 4.72 -0.15 3.43 -4.23 -1.26 -4.77 115.64 113.77 1ncq s THR 53 Ca 0.60 0.11 -0.05 0.00 -1.18 0.00 0.00 61.69 61.16 1ncq s THR 53 Cb -0.38 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 69.63 1ncq s THR 53 CO 0.37 -0.76 0.03 -0.55 -0.54 0.00 0.00 174.62 173.16 1ncq s SER 54 N -4.13 5.40 -0.56 3.99 0.15 0.69 -4.92 113.70 114.32 1ncq s SER 54 Ca 0.48 0.07 0.04 0.00 0.70 0.00 0.00 55.95 57.24 1ncq s SER 54 Cb -0.10 -1.82 0.15 0.00 -1.71 0.00 0.00 66.02 62.54 1ncq s SER 54 CO 0.44 0.23 0.35 -0.54 1.20 0.00 0.00 173.24 174.93 1ncq s LYS 55 N -0.01 1.91 0.52 5.44 1.02 -1.26 -1.09 119.74 126.27 1ncq s LYS 55 Ca 0.04 -2.72 0.30 0.00 0.02 0.00 0.00 55.97 53.62 1ncq s LYS 55 Cb -0.12 -2.96 1.66 0.00 -0.52 0.00 0.00 37.83 35.88 1ncq s LYS 55 CO 0.01 -1.21 1.92 -1.35 -0.92 0.00 0.00 175.35 173.80 1ncq h PRO 56 N 6.05 0.00 0.00 -1.68 0.11 -1.98 -3.47 132.00 131.03 1ncq h PRO 56 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1ncq h PRO 56 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1ncq h PRO 56 CO 0.63 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.95 1ncq n ASP 57 N -2.66 0.00 0.25 -2.05 4.64 -1.26 -2.84 116.55 112.63 1ncq n ASP 57 Ca -0.02 0.00 0.16 0.00 -1.38 0.00 0.00 54.79 53.55 1ncq n ASP 57 Cb 0.16 0.00 0.86 0.00 -1.04 0.00 0.00 41.12 41.11 1ncq n ASP 57 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1ncq h THR 58 N 0.00 0.00 0.00 5.18 1.35 -1.90 0.13 112.91 117.67 1ncq h THR 58 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1ncq h THR 58 Cb 0.00 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 67.12 1ncq h THR 58 CO 0.00 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.07 1ncq n SER 59 N -2.63 0.62 0.00 5.36 7.64 -1.13 -3.96 113.62 119.51 1ncq n SER 59 Ca -0.02 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1ncq n SER 59 Cb 0.09 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 1ncq n SER 59 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1ncq n VAL 60 N -2.09 0.00 -2.91 0.44 0.24 -0.75 -4.42 118.33 108.85 1ncq n VAL 60 Ca 0.05 0.00 -0.44 0.00 -2.04 0.00 0.00 64.34 61.92 1ncq n VAL 60 Cb 0.38 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 1ncq n VAL 60 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ncq s ARG 62 N 0.01 1.28 -0.04 0.00 1.70 -1.25 -3.05 118.95 117.60 1ncq s ARG 62 Ca 0.38 -1.05 -0.30 0.00 -0.47 0.00 0.00 55.73 54.29 1ncq s ARG 62 Cb -0.01 0.44 -0.02 0.00 -0.57 0.00 0.00 34.95 34.79 1ncq s ARG 62 CO -0.00 -0.50 1.03 -0.06 -1.08 0.00 0.00 175.30 174.68 1ncq s PHE 63 N -3.93 3.55 -0.15 5.89 0.40 -1.26 -3.79 117.98 118.68 1ncq s PHE 63 Ca 0.14 1.59 -0.00 0.00 -0.60 0.00 0.00 56.93 58.06 1ncq s PHE 63 Cb 0.01 -3.20 -0.01 0.00 0.51 0.00 0.00 43.02 40.34 1ncq s PHE 63 CO -0.01 -0.30 -0.14 0.71 0.70 0.00 0.00 175.22 176.19 1ncq s TYR 64 N 1.51 2.80 -0.27 0.36 1.51 0.57 -4.92 117.35 118.92 1ncq s TYR 64 Ca 0.51 -0.88 -0.13 0.00 -1.01 0.00 0.00 57.07 55.56 1ncq s TYR 64 Cb -0.21 -1.88 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 1ncq s TYR 64 CO 0.24 -0.38 0.27 0.99 -1.11 0.00 0.00 175.55 175.55 1ncq s THR 65 N 0.67 5.26 1.01 -0.71 2.01 -1.26 -1.02 115.64 121.61 1ncq s THR 65 Ca -0.07 0.35 -0.15 0.00 0.31 0.00 0.00 61.69 62.13 1ncq s THR 65 Cb -0.16 -3.60 0.20 0.00 0.01 0.00 0.00 72.50 68.95 1ncq s THR 65 CO 0.02 0.23 1.16 -0.76 -0.69 0.00 0.00 174.62 174.58 1ncq s LEU 66 N 1.76 1.72 0.25 4.42 1.02 -0.04 -4.99 118.68 122.81 1ncq s LEU 66 Ca 0.11 0.76 -0.30 0.00 0.02 0.00 0.00 54.13 54.72 1ncq s LEU 66 Cb -0.16 -2.84 -0.09 0.00 0.02 0.00 0.00 46.19 43.12 1ncq s LEU 66 CO 0.10 -3.10 1.25 -1.81 0.02 0.00 0.00 176.35 172.80 1ncq s ASP 67 N -4.09 6.97 0.44 2.29 -0.00 -1.26 -4.63 116.67 116.38 1ncq s ASP 67 Ca 0.68 2.42 -0.24 0.00 -0.00 0.00 0.00 52.55 55.41 1ncq s ASP 67 Cb -0.12 -2.62 -0.08 0.00 -0.00 0.00 0.00 42.92 40.10 1ncq s ASP 67 CO 0.54 -0.43 1.24 -0.44 -0.00 0.00 0.00 175.17 176.09 1ncq s SER 68 N -0.16 6.14 0.23 0.27 0.01 -1.26 -4.76 113.70 114.18 1ncq s SER 68 Ca 0.52 2.50 0.06 0.00 1.31 0.00 0.00 55.95 60.33 1ncq s SER 68 Cb -0.36 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.22 1ncq s SER 68 CO 0.42 -0.95 0.26 -0.54 0.41 0.00 0.00 173.24 172.84 1ncq s LYS 69 N -2.50 3.15 -0.26 12.44 3.01 0.11 -4.92 119.74 130.77 1ncq s LYS 69 Ca 0.61 -0.89 -0.03 0.00 -1.01 0.00 0.00 55.97 54.65 1ncq s LYS 69 Cb -0.34 -2.72 0.02 0.00 -1.01 0.00 0.00 37.83 33.78 1ncq s LYS 69 CO 0.42 0.43 -0.02 0.99 0.51 0.00 0.00 175.35 177.68 1ncq s THR 70 N -2.01 3.23 -0.32 2.17 2.01 -1.26 -0.75 115.64 118.71 1ncq s THR 70 Ca 0.33 -0.86 -0.23 0.00 0.31 0.00 0.00 61.69 61.24 1ncq s THR 70 Cb -0.09 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 69.80 1ncq s THR 70 CO 0.27 0.20 0.77 0.86 -0.69 0.00 0.00 174.62 176.03 1ncq s TRP 71 N 1.39 3.17 0.45 4.92 -0.00 0.11 -4.93 118.94 124.05 1ncq s TRP 71 Ca 0.02 0.71 0.05 0.00 -0.00 0.00 0.00 56.10 56.88 1ncq s TRP 71 Cb -0.16 -3.26 -0.05 0.00 -0.00 0.00 0.00 33.47 29.99 1ncq s TRP 71 CO -0.02 -0.61 0.03 0.95 -0.00 0.00 0.00 176.95 177.30 1ncq s THR 72 N 2.98 1.74 0.21 5.86 -4.23 -1.26 -1.31 115.64 119.63 1ncq s THR 72 Ca 0.31 -1.96 0.28 0.00 -1.18 0.00 0.00 61.69 59.14 1ncq s THR 72 Cb -0.14 -2.70 0.28 0.00 1.34 0.00 0.00 72.50 71.28 1ncq s THR 72 CO 0.14 0.00 1.83 0.00 -0.54 0.00 0.00 174.62 176.04 1ncq h THR 73 N 1.57 0.00 -0.09 3.99 1.03 -1.85 -1.91 112.91 115.65 1ncq h THR 73 Ca -0.44 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 1ncq h THR 73 Cb 1.27 0.61 0.00 0.00 -1.07 0.00 0.00 68.15 68.96 1ncq h THR 73 CO 0.77 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.89 1ncq n GLY 74 N -1.22 0.65 3.72 2.99 0.00 -1.26 -4.78 105.19 105.29 1ncq n GLY 74 Ca -0.02 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1ncq n GLY 74 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ncq n SER 75 N 0.27 3.01 -0.10 1.61 7.64 -0.72 -4.93 113.62 120.40 1ncq n SER 75 Ca 0.05 1.21 -0.13 0.00 1.01 0.00 0.00 58.87 61.02 1ncq n SER 75 Cb 0.24 -1.52 -0.15 0.00 -1.01 0.00 0.00 64.21 61.78 1ncq n SER 75 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ncq n LYS 76 N 0.51 0.68 0.00 1.43 4.76 -1.26 -4.78 118.16 119.49 1ncq n LYS 76 Ca 0.04 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1ncq n LYS 76 Cb 0.37 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 1ncq n LYS 76 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ncq n GLY 77 N 1.89 2.17 3.10 0.72 0.00 -1.26 -4.14 105.19 107.67 1ncq n GLY 77 Ca -0.35 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 43.78 1ncq n GLY 77 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ncq s TRP 78 N -1.63 0.75 -0.04 1.61 0.51 -0.35 -0.91 118.94 118.89 1ncq s TRP 78 Ca 0.00 -0.65 -0.00 0.00 -2.12 0.00 0.00 56.10 53.33 1ncq s TRP 78 Cb 0.00 -0.45 0.03 0.00 -0.81 0.00 0.00 33.47 32.24 1ncq s TRP 78 CO 0.00 -0.11 0.01 0.00 -0.51 0.00 0.00 176.95 176.35 1ncq s TRP 80 N 1.43 2.45 0.02 0.00 0.51 0.45 0.15 118.94 123.95 1ncq s TRP 80 Ca -0.04 -0.29 0.05 0.00 -2.12 0.00 0.00 56.10 53.71 1ncq s TRP 80 Cb -0.13 -1.08 -0.02 0.00 -0.81 0.00 0.00 33.47 31.43 1ncq s TRP 80 CO -0.03 0.67 -0.16 0.15 -0.51 0.00 0.00 176.95 177.08 1ncq s LYS 81 N -3.53 1.13 0.04 4.98 1.02 -1.26 -0.13 119.74 121.99 1ncq s LYS 81 Ca 0.30 -0.69 0.08 0.00 0.02 0.00 0.00 55.97 55.68 1ncq s LYS 81 Cb -0.06 -1.14 -0.03 0.00 -0.52 0.00 0.00 37.83 36.09 1ncq s LYS 81 CO 0.17 0.30 -0.23 -0.51 -0.92 0.00 0.00 175.35 174.15 1ncq s LEU 82 N -0.80 2.31 0.00 3.17 1.43 -0.24 0.97 118.68 125.52 1ncq s LEU 82 Ca 0.04 -0.52 0.26 0.00 -1.03 0.00 0.00 54.13 52.88 1ncq s LEU 82 Cb -0.07 -1.37 1.42 0.00 0.03 0.00 0.00 46.19 46.20 1ncq s LEU 82 CO 0.01 0.26 1.89 -0.81 0.23 0.00 0.00 176.35 177.93 1ncq n PRO 83 N 1.77 0.58 -0.39 1.29 -0.04 -1.26 -1.54 135.00 135.42 1ncq n PRO 83 Ca -0.17 0.03 -0.03 0.00 -0.04 0.00 0.00 63.50 63.29 1ncq n PRO 83 Cb 0.52 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.50 1ncq n PRO 83 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ncq n ASP 84 N -1.15 -0.71 0.16 3.54 2.03 -1.07 -1.11 116.55 118.25 1ncq n ASP 84 Ca 0.16 1.73 0.18 0.00 0.52 0.00 0.00 54.79 57.38 1ncq n ASP 84 Cb 0.15 -0.37 0.71 0.00 -0.72 0.00 0.00 41.12 40.89 1ncq n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ncq h ALA 85 N 1.22 1.92 -0.38 -1.67 0.00 0.39 0.14 119.26 120.87 1ncq h ALA 85 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1ncq h ALA 85 Cb 0.56 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ncq h ALA 85 CO -0.97 -0.65 0.00 1.28 0.00 0.00 0.00 179.25 178.91 1ncq n LEU 86 N -3.34 3.41 0.33 0.00 4.77 -0.27 -3.21 117.00 118.69 1ncq n LEU 86 Ca 0.05 -2.28 0.18 0.00 -0.03 0.00 0.00 56.01 53.93 1ncq n LEU 86 Cb 0.63 -0.36 0.95 0.00 -2.33 0.00 0.00 43.42 42.32 1ncq n LEU 86 CO 0.21 0.74 1.15 0.07 -1.33 0.00 0.00 177.39 178.23 1ncq h LYS 87 N 2.34 0.00 -0.08 3.23 -0.00 -0.62 -1.10 116.57 120.34 1ncq h LYS 87 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1ncq h LYS 87 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.22 1ncq h LYS 87 CO 0.08 0.00 0.00 -0.25 -0.00 0.00 0.00 179.45 179.28 1ncq n ASP 88 N -3.01 2.71 -4.47 7.07 10.43 -1.26 -4.44 116.55 123.58 1ncq n ASP 88 Ca -0.02 -2.85 -0.43 0.00 2.57 0.00 0.00 54.79 54.05 1ncq n ASP 88 Cb 0.28 -0.39 -0.07 0.00 1.84 0.00 0.00 41.12 42.79 1ncq n ASP 88 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 1ncq s MET 89 N -2.49 3.16 0.00 -1.24 -1.94 -0.41 -4.90 119.30 111.47 1ncq s MET 89 Ca 0.29 -0.74 0.00 0.00 -1.71 0.00 0.00 55.69 53.54 1ncq s MET 89 Cb 0.25 -4.04 0.00 0.00 2.01 0.00 0.00 34.83 33.05 1ncq s MET 89 CO 0.05 -1.11 0.00 0.41 -0.01 0.00 0.00 175.02 174.36 1ncq n GLY 90 N 5.13 1.34 0.22 -0.03 0.00 -1.26 -1.20 105.19 109.38 1ncq n GLY 90 Ca -0.05 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 45.85 1ncq n GLY 90 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ncq h VAL 91 N 0.00 0.85 -0.05 1.61 2.07 -1.96 -2.93 116.25 115.84 1ncq h VAL 91 Ca 0.00 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1ncq h VAL 91 Cb 0.00 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1ncq h VAL 91 CO 0.00 0.26 0.03 0.15 0.02 0.00 0.00 177.57 178.03 1ncq h PHE 92 N 0.00 0.07 -0.19 1.57 3.57 -1.67 -1.62 116.94 118.67 1ncq h PHE 92 Ca -0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1ncq h PHE 92 Cb 0.62 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 1ncq h PHE 92 CO 0.00 0.14 0.06 0.78 -2.23 0.00 0.00 178.31 177.06 1ncq h GLY 93 N -0.01 0.23 0.43 2.40 0.00 -1.00 -1.94 103.07 103.17 1ncq h GLY 93 Ca 0.02 -0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.37 1ncq h GLY 93 CO -0.00 0.02 -0.07 1.46 0.00 0.00 0.00 176.54 177.95 1ncq h GLN 94 N 0.15 -0.00 -0.50 4.80 1.08 -1.37 -1.32 115.11 117.95 1ncq h GLN 94 Ca 0.08 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.32 1ncq h GLN 94 Cb 0.05 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.46 1ncq h GLN 94 CO -0.09 -0.00 0.33 -0.91 -0.95 0.00 0.00 178.83 177.21 1ncq h ASN 95 N -0.00 0.46 -0.73 1.46 2.35 -1.05 -1.68 115.58 116.39 1ncq h ASN 95 Ca 0.14 -0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.93 1ncq h ASN 95 Cb 0.21 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 1ncq h ASN 95 CO -0.29 0.32 0.44 0.24 -1.65 0.00 0.00 177.43 176.49 1ncq h MET 96 N 0.54 0.81 0.00 0.81 2.86 -0.44 -2.50 114.93 117.00 1ncq h MET 96 Ca 0.20 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1ncq h MET 96 Cb 0.14 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1ncq h MET 96 CO -0.05 0.53 -0.97 0.74 1.06 0.00 0.00 176.91 178.22 1ncq h PHE 97 N 0.83 0.00 0.00 -0.22 0.04 -1.20 -3.34 116.94 113.05 1ncq h PHE 97 Ca 0.31 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.08 1ncq h PHE 97 Cb 0.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.26 1ncq h PHE 97 CO -0.05 0.11 -0.31 1.19 -0.60 0.00 0.00 178.31 178.64 1ncq n PHE 98 N -2.76 0.51 -4.28 -0.55 3.72 -0.69 -0.36 117.46 113.05 1ncq n PHE 98 Ca -0.01 0.15 -0.30 0.00 -0.05 0.00 0.00 57.45 57.23 1ncq n PHE 98 Cb 0.60 -0.66 -0.10 0.00 -0.94 0.00 0.00 39.48 38.38 1ncq n PHE 98 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1ncq s HIS 99 N -3.10 2.77 0.13 1.38 3.76 -0.96 -0.50 115.29 118.77 1ncq s HIS 99 Ca 0.10 -0.14 -0.10 0.00 -0.15 0.00 0.00 55.06 54.77 1ncq s HIS 99 Cb 0.15 -1.47 -0.09 0.00 1.11 0.00 0.00 32.58 32.28 1ncq s HIS 99 CO 0.65 0.41 1.36 1.03 -0.85 0.00 0.00 174.74 177.34 1ncq h SER 100 N 3.79 0.86 -3.80 1.40 0.87 -0.72 -3.47 113.55 112.48 1ncq h SER 100 Ca -0.49 -0.54 -0.35 0.00 -1.23 0.00 0.00 61.79 59.18 1ncq h SER 100 Cb 1.17 -0.25 -0.15 0.00 -0.44 0.00 0.00 62.40 62.73 1ncq h SER 100 CO 0.53 1.32 -0.72 -0.76 -0.53 0.00 0.00 176.83 176.67 1ncq s LEU 101 N -8.38 2.53 -0.01 2.23 1.43 -0.16 -4.24 118.68 112.08 1ncq s LEU 101 Ca -0.09 -1.01 -0.29 0.00 -1.03 0.00 0.00 54.13 51.71 1ncq s LEU 101 Cb 0.09 -0.42 0.10 0.00 0.03 0.00 0.00 46.19 45.99 1ncq s LEU 101 CO 0.89 -0.29 0.92 -0.83 0.23 0.00 0.00 176.35 177.27 1ncq s GLY 102 N -3.19 -0.44 -0.10 -3.19 0.00 0.77 -0.64 107.32 100.53 1ncq s GLY 102 Ca 0.18 0.99 -0.15 0.00 0.00 0.00 0.00 44.72 45.74 1ncq s GLY 102 CO 0.02 0.33 0.40 1.09 0.00 0.00 0.00 173.10 174.93 1ncq s ARG 103 N -3.08 0.57 0.12 2.90 1.70 -0.26 -2.24 118.95 118.67 1ncq s ARG 103 Ca 0.06 0.32 -0.25 0.00 -0.47 0.00 0.00 55.73 55.39 1ncq s ARG 103 Cb -0.01 0.27 0.08 0.00 -0.57 0.00 0.00 34.95 34.72 1ncq s ARG 103 CO -0.08 -0.11 0.71 0.45 -1.08 0.00 0.00 175.30 175.18 1ncq s SER 104 N -0.34 -0.47 0.49 -2.89 0.15 -1.26 -1.07 113.70 108.30 1ncq s SER 104 Ca -0.05 -0.06 0.03 0.00 0.70 0.00 0.00 55.95 56.57 1ncq s SER 104 Cb -0.03 0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 64.79 1ncq s SER 104 CO 0.02 -0.89 0.04 -0.83 1.20 0.00 0.00 173.24 172.78 1ncq s GLY 105 N -2.69 2.84 0.17 9.45 0.00 -0.32 -4.12 107.32 112.64 1ncq s GLY 105 Ca 0.03 -0.93 -0.14 0.00 0.00 0.00 0.00 44.72 43.69 1ncq s GLY 105 CO -0.10 -2.15 0.40 -0.19 0.00 0.00 0.00 173.10 171.07 1ncq s TYR 106 N -2.82 0.07 -0.22 1.90 1.51 0.20 -0.03 117.35 117.96 1ncq s TYR 106 Ca 0.15 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 1ncq s TYR 106 Cb 0.03 0.19 0.04 0.00 -0.11 0.00 0.00 41.96 42.12 1ncq s TYR 106 CO 0.08 -0.80 -0.13 0.99 -1.11 0.00 0.00 175.55 174.58 1ncq s THR 107 N -3.90 1.96 -0.17 -0.71 2.01 -0.04 0.79 115.64 115.58 1ncq s THR 107 Ca 0.11 -1.23 -0.10 0.00 0.31 0.00 0.00 61.69 60.77 1ncq s THR 107 Cb 0.01 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 1ncq s THR 107 CO -0.03 0.19 0.17 -0.69 -0.69 0.00 0.00 174.62 173.56 1ncq s VAL 108 N 1.25 5.40 -0.24 3.82 1.01 0.98 -1.69 120.40 130.93 1ncq s VAL 108 Ca -0.03 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 1ncq s VAL 108 Cb -0.17 -3.49 0.07 0.00 0.00 0.00 0.00 36.38 32.79 1ncq s VAL 108 CO -0.08 0.47 0.03 -2.28 0.00 0.00 0.00 175.10 173.24 1ncq s HIS 109 N 0.09 1.62 -0.17 5.22 2.46 0.31 -1.01 115.29 123.80 1ncq s HIS 109 Ca 0.11 -1.39 -0.11 0.00 0.47 0.00 0.00 55.06 54.14 1ncq s HIS 109 Cb -0.12 -1.41 -0.05 0.00 -0.13 0.00 0.00 32.58 30.88 1ncq s HIS 109 CO 0.01 -0.74 0.19 0.08 -2.47 0.00 0.00 174.74 171.80 1ncq s VAL 110 N 1.66 5.38 -0.02 0.89 1.01 -0.26 -1.09 120.40 127.97 1ncq s VAL 110 Ca 0.02 0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.38 1ncq s VAL 110 Cb -0.18 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1ncq s VAL 110 CO -0.13 0.44 -0.20 -1.10 0.00 0.00 0.00 175.10 174.11 1ncq s GLN 111 N 0.22 2.24 -0.30 2.72 -0.21 0.16 -1.18 119.66 123.32 1ncq s GLN 111 Ca 0.12 -0.85 -0.07 0.00 0.02 0.00 0.00 55.36 54.57 1ncq s GLN 111 Cb -0.12 -2.20 0.19 0.00 1.00 0.00 0.00 33.01 31.88 1ncq s GLN 111 CO 0.01 0.58 0.92 0.00 -2.12 0.00 0.00 175.29 174.68 1ncq s ASN 113 N 2.92 5.36 0.00 0.00 4.22 -1.26 -4.31 114.94 121.87 1ncq s ASN 113 Ca 0.18 -0.26 0.00 0.00 -2.14 0.00 0.00 52.86 50.64 1ncq s ASN 113 Cb -0.06 -1.33 0.00 0.00 1.28 0.00 0.00 41.25 41.14 1ncq s ASN 113 CO -0.21 0.01 0.00 0.00 -2.04 0.00 0.00 177.10 174.86 1ncq n ALA 114 N -0.78 0.00 -2.60 3.54 0.00 -1.26 -4.84 120.51 114.56 1ncq n ALA 114 Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 1ncq n ALA 114 Cb 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.94 1ncq n ALA 114 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ncq s THR 115 N 2.82 0.05 -2.00 0.00 -4.23 -1.26 -5.01 115.64 106.01 1ncq s THR 115 Ca 0.00 -1.60 0.07 0.00 -1.18 0.00 0.00 61.69 58.99 1ncq s THR 115 Cb 0.00 -2.07 0.21 0.00 1.34 0.00 0.00 72.50 71.98 1ncq s THR 115 CO 0.00 -0.22 0.85 0.29 -0.54 0.00 0.00 174.62 175.01 1ncq n LYS 116 N -0.23 0.39 -0.02 3.99 5.02 -1.26 -1.51 118.16 124.54 1ncq n LYS 116 Ca -0.04 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.31 1ncq n LYS 116 Cb 0.63 -1.29 -0.13 0.00 -0.02 0.00 0.00 35.03 34.23 1ncq n LYS 116 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1ncq n PHE 117 N -0.79 0.00 -1.79 2.13 3.01 -1.26 -4.99 117.46 113.76 1ncq n PHE 117 Ca 0.06 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.22 1ncq n PHE 117 Cb 0.03 -0.43 0.14 0.00 -0.01 0.00 0.00 39.48 39.21 1ncq n PHE 117 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1ncq s HIS 118 N -3.02 2.24 -0.04 1.38 3.76 -0.57 -4.45 115.29 114.59 1ncq s HIS 118 Ca -0.06 0.60 -0.26 0.00 -0.15 0.00 0.00 55.06 55.19 1ncq s HIS 118 Cb 0.10 -3.70 0.05 0.00 1.11 0.00 0.00 32.58 30.14 1ncq s HIS 118 CO 0.67 -2.32 0.56 -1.54 -0.85 0.00 0.00 174.74 171.25 1ncq s SER 119 N -4.55 -0.51 0.00 1.40 1.04 -0.80 -4.74 113.70 105.55 1ncq s SER 119 Ca 0.67 0.52 0.00 0.00 0.48 0.00 0.00 55.95 57.62 1ncq s SER 119 Cb -0.09 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1ncq s SER 119 CO 0.52 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.79 1ncq n GLY 120 N 1.05 3.34 2.70 7.32 0.00 -1.26 -0.90 105.19 117.43 1ncq n GLY 120 Ca -0.20 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 1ncq n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ncq s LEU 122 N 2.22 4.40 -0.26 0.00 1.43 -0.04 -0.21 118.68 126.22 1ncq s LEU 122 Ca 0.04 0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 53.59 1ncq s LEU 122 Cb -0.14 -2.18 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 1ncq s LEU 122 CO -0.08 0.38 0.17 -0.22 0.23 0.00 0.00 176.35 176.83 1ncq s LEU 123 N -0.94 4.06 -0.29 1.79 2.96 0.70 -0.19 118.68 126.77 1ncq s LEU 123 Ca 0.16 0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 54.10 1ncq s LEU 123 Cb -0.13 -2.11 0.03 0.00 0.50 0.00 0.00 46.19 44.49 1ncq s LEU 123 CO 0.06 0.02 0.01 -0.69 -1.32 0.00 0.00 176.35 174.42 1ncq s VAL 124 N 1.35 3.22 0.04 1.68 1.01 0.50 -0.71 120.40 127.49 1ncq s VAL 124 Ca 0.07 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 60.98 1ncq s VAL 124 Cb -0.15 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1ncq s VAL 124 CO 0.07 0.03 -0.09 0.54 0.00 0.00 0.00 175.10 175.64 1ncq s VAL 125 N 1.34 0.71 -0.20 2.92 0.11 -0.59 -0.75 120.40 123.95 1ncq s VAL 125 Ca -0.01 -0.96 -0.04 0.00 -2.93 0.00 0.00 61.98 58.03 1ncq s VAL 125 Cb -0.18 -0.71 -0.02 0.00 -1.53 0.00 0.00 36.38 33.94 1ncq s VAL 125 CO -0.01 -0.21 -0.02 -0.69 -3.33 0.00 0.00 175.10 170.84 1ncq s VAL 126 N -1.07 3.79 -0.28 2.04 1.01 -0.75 -1.16 120.40 123.98 1ncq s VAL 126 Ca -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1ncq s VAL 126 Cb -0.08 -2.71 0.05 0.00 0.00 0.00 0.00 36.38 33.64 1ncq s VAL 126 CO 0.01 0.43 -0.05 -0.63 0.00 0.00 0.00 175.10 174.86 1ncq s ILE 127 N 1.04 2.65 0.33 2.22 1.01 -0.39 -4.08 121.20 123.99 1ncq s ILE 127 Ca 0.02 -1.46 -0.28 0.00 0.00 0.00 0.00 60.65 58.93 1ncq s ILE 127 Cb -0.14 -2.52 -0.10 0.00 0.01 0.00 0.00 42.46 39.71 1ncq s ILE 127 CO 0.01 -0.05 1.25 -2.84 0.00 0.00 0.00 174.94 173.31 1ncq s PRO 128 N 1.20 4.35 -1.21 2.79 0.02 -1.26 -1.88 135.00 139.02 1ncq s PRO 128 Ca -0.06 2.09 -0.21 0.00 0.02 0.00 0.00 61.00 62.84 1ncq s PRO 128 Cb -0.20 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 31.30 1ncq s PRO 128 CO -0.03 -0.15 0.69 0.39 -0.33 0.00 0.00 177.00 177.58 1ncq n GLU 129 N 0.75 -1.27 -2.59 5.54 -0.58 0.16 -4.83 120.64 117.81 1ncq n GLU 129 Ca 0.00 0.34 -0.43 0.00 -0.42 0.00 0.00 57.16 56.66 1ncq n GLU 129 Cb 0.43 -3.77 0.00 0.00 -0.57 0.00 0.00 31.44 27.53 1ncq n GLU 129 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1ncq n HIS 130 N -4.45 4.64 -2.37 -0.32 -0.00 -1.23 -4.94 115.22 106.54 1ncq n HIS 130 Ca -0.13 -2.94 -0.43 0.00 0.46 0.00 0.00 57.72 54.67 1ncq n HIS 130 Cb 0.60 -2.54 -0.02 0.00 -0.12 0.00 0.00 29.99 27.90 1ncq n HIS 130 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 1ncq s GLN 131 N 3.63 3.57 0.69 1.57 0.74 -1.26 -4.97 119.66 123.63 1ncq s GLN 131 Ca 0.51 0.88 -0.12 0.00 0.05 0.00 0.00 55.36 56.68 1ncq s GLN 131 Cb 0.03 -4.02 0.01 0.00 1.10 0.00 0.00 33.01 30.13 1ncq s GLN 131 CO 0.06 -1.57 1.08 -0.51 -0.55 0.00 0.00 175.29 173.79 1ncq s LEU 132 N 5.40 3.23 0.11 3.68 1.43 -1.26 -4.76 118.68 126.50 1ncq s LEU 132 Ca 0.60 1.79 0.04 0.00 -1.03 0.00 0.00 54.13 55.52 1ncq s LEU 132 Cb -0.13 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.53 1ncq s LEU 132 CO 0.32 -1.59 0.11 0.00 0.23 0.00 0.00 176.35 175.42 1ncq s ALA 133 N -2.75 3.59 -0.03 4.21 0.00 0.06 -4.95 121.76 121.88 1ncq s ALA 133 Ca 0.62 -1.08 -0.23 0.00 0.00 0.00 0.00 51.96 51.27 1ncq s ALA 133 Cb -0.16 -1.43 -0.05 0.00 0.00 0.00 0.00 23.12 21.48 1ncq s ALA 133 CO 0.49 0.66 0.67 0.45 0.00 0.00 0.00 175.76 178.04 1ncq s SER 134 N -2.65 7.01 0.58 0.00 0.15 -1.26 -0.56 113.70 116.97 1ncq s SER 134 Ca 0.30 1.21 0.39 0.00 0.70 0.00 0.00 55.95 58.55 1ncq s SER 134 Cb -0.11 -2.40 1.97 0.00 -1.71 0.00 0.00 66.02 63.76 1ncq s SER 134 CO 0.23 -0.02 2.17 1.12 1.20 0.00 0.00 173.24 177.93 1ncq h HIS 135 N 6.23 0.00 0.00 3.44 2.07 -1.80 -1.87 115.15 123.22 1ncq h HIS 135 Ca -0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.09 1ncq h HIS 135 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 1ncq h HIS 135 CO 0.65 0.00 0.00 -1.91 -3.07 0.00 0.00 177.93 173.60 1ncq n GLU 136 N -2.95 0.12 0.00 5.12 2.13 -1.26 -4.98 120.64 118.82 1ncq n GLU 136 Ca -0.02 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.04 1ncq n GLU 136 Cb 0.13 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.16 1ncq n GLU 136 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ncq n GLY 137 N 0.61 0.54 7.00 8.31 0.00 -0.71 -4.89 105.19 116.05 1ncq n GLY 137 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1ncq n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ncq n GLY 138 N 0.00 3.03 0.98 -0.02 0.00 -1.26 -2.35 105.19 105.57 1ncq n GLY 138 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.01 1ncq n GLY 138 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ncq n ASN 139 N 2.82 1.97 -4.77 1.61 6.94 -1.26 -5.05 115.26 117.52 1ncq n ASN 139 Ca 0.00 -3.53 -0.39 0.00 -0.02 0.00 0.00 54.58 50.64 1ncq n ASN 139 Cb 0.00 -0.47 -0.03 0.00 -2.36 0.00 0.00 39.78 36.92 1ncq n ASN 139 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1ncq s VAL 140 N -2.89 3.33 0.67 3.53 1.01 -0.99 -5.05 120.40 120.02 1ncq s VAL 140 Ca 0.39 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.58 1ncq s VAL 140 Cb 0.38 -3.72 0.10 0.00 0.00 0.00 0.00 36.38 33.14 1ncq s VAL 140 CO -0.07 0.19 0.93 -0.55 0.00 0.00 0.00 175.10 175.61 1ncq s SER 141 N -1.02 4.60 -0.26 3.32 0.15 -1.26 -4.55 113.70 114.68 1ncq s SER 141 Ca 0.51 -0.30 0.03 0.00 0.70 0.00 0.00 55.95 56.89 1ncq s SER 141 Cb -0.31 -0.21 0.06 0.00 -1.71 0.00 0.00 66.02 63.85 1ncq s SER 141 CO 0.39 -1.67 -0.10 -0.69 1.20 0.00 0.00 173.24 172.37 1ncq s VAL 142 N -3.03 2.10 0.54 4.45 1.01 -1.26 -4.78 120.40 119.43 1ncq s VAL 142 Ca 0.64 -1.60 -0.21 0.00 0.00 0.00 0.00 61.98 60.81 1ncq s VAL 142 Cb -0.07 -2.23 -0.06 0.00 0.00 0.00 0.00 36.38 34.02 1ncq s VAL 142 CO 0.43 -0.04 1.15 0.29 0.00 0.00 0.00 175.10 176.92 1ncq n LYS 143 N 4.45 1.35 -0.38 2.72 4.76 -0.22 -4.87 118.16 125.97 1ncq n LYS 143 Ca -0.14 0.50 -0.08 0.00 -2.87 0.00 0.00 58.31 55.72 1ncq n LYS 143 Cb 0.42 -2.32 -0.06 0.00 -1.84 0.00 0.00 35.03 31.23 1ncq n LYS 143 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1ncq n TYR 144 N -1.16 -0.31 -0.33 2.13 9.36 -1.26 -1.32 117.16 124.28 1ncq n TYR 144 Ca 0.11 1.14 0.18 0.00 3.32 0.00 0.00 57.90 62.65 1ncq n TYR 144 Cb 0.44 -0.63 0.42 0.00 -0.63 0.00 0.00 39.34 38.94 1ncq n TYR 144 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 1ncq h THR 145 N 0.00 0.60 0.00 2.97 1.35 -1.91 -1.45 112.91 114.48 1ncq h THR 145 Ca 0.18 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1ncq h THR 145 Cb 0.41 -0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.83 1ncq h THR 145 CO -0.87 0.10 0.00 0.49 -0.25 0.00 0.00 175.52 174.99 1ncq n PHE 146 N -4.71 0.26 -0.21 4.73 3.72 -0.43 -2.01 117.46 118.80 1ncq n PHE 146 Ca 0.24 0.09 0.04 0.00 -0.05 0.00 0.00 57.45 57.78 1ncq n PHE 146 Cb 0.73 -0.65 0.11 0.00 -0.94 0.00 0.00 39.48 38.73 1ncq n PHE 146 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1ncq n THR 147 N -1.73 1.12 -2.73 4.37 -2.24 -0.57 -4.58 114.28 107.92 1ncq n THR 147 Ca 0.04 -1.10 -0.19 0.00 -2.27 0.00 0.00 64.05 60.53 1ncq n THR 147 Cb 0.24 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1ncq n THR 147 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ncq n HIS 148 N 0.06 2.12 0.28 4.78 8.25 -0.85 -4.89 115.22 124.97 1ncq n HIS 148 Ca 0.09 -3.23 0.12 0.00 -0.26 0.00 0.00 57.72 54.44 1ncq n HIS 148 Cb 0.41 -0.31 0.57 0.00 1.12 0.00 0.00 29.99 31.78 1ncq n HIS 148 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1ncq h PRO 149 N 2.86 0.00 0.00 -0.41 0.13 -1.81 -3.47 132.00 129.30 1ncq h PRO 149 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1ncq h PRO 149 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1ncq h PRO 149 CO 0.66 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.84 1ncq n GLY 150 N -0.67 -0.31 0.45 1.56 0.00 -1.26 -3.74 105.19 101.22 1ncq n GLY 150 Ca 0.00 -1.06 0.28 0.00 0.00 0.00 0.00 46.02 45.24 1ncq n GLY 150 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ncq h GLU 151 N 0.00 0.23 -0.74 1.61 4.81 -1.77 -1.22 114.58 117.49 1ncq h GLU 151 Ca 0.00 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1ncq h GLU 151 Cb 0.00 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1ncq h GLU 151 CO 0.00 0.15 0.28 -0.09 -0.73 0.00 0.00 179.01 178.62 1ncq h ARG 152 N 0.23 1.11 0.00 1.92 2.43 -1.90 -3.41 114.38 114.77 1ncq h ARG 152 Ca 0.60 -0.20 0.02 0.00 -0.81 0.00 0.00 59.98 59.59 1ncq h ARG 152 Cb 1.85 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 31.21 1ncq h ARG 152 CO -0.21 0.91 -0.03 0.41 -1.51 0.00 0.00 179.97 179.55 1ncq n GLY 153 N -0.89 -2.23 3.57 2.80 0.00 -0.46 -4.85 105.19 103.13 1ncq n GLY 153 Ca 0.07 -1.51 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 1ncq n GLY 153 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ncq s ILE 154 N -0.99 4.65 -0.39 -0.61 1.01 0.12 -4.86 121.20 120.14 1ncq s ILE 154 Ca 0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 60.65 60.38 1ncq s ILE 154 Cb 0.00 -3.12 0.01 0.00 0.01 0.00 0.00 42.46 39.36 1ncq s ILE 154 CO 0.00 0.41 0.59 -0.62 0.00 0.00 0.00 174.94 175.32 1ncq s ASP 155 N 0.79 6.34 0.10 3.58 3.68 -1.26 -1.02 116.67 128.89 1ncq s ASP 155 Ca 0.04 -0.12 0.11 0.00 2.13 0.00 0.00 52.55 54.70 1ncq s ASP 155 Cb -0.13 -2.30 0.51 0.00 -1.45 0.00 0.00 42.92 39.54 1ncq s ASP 155 CO 0.02 -0.62 1.33 0.18 0.13 0.00 0.00 175.17 176.21 1ncq n LEU 156 N 5.99 0.20 -0.95 -1.34 4.32 -0.09 -1.43 117.00 123.71 1ncq n LEU 156 Ca -0.03 0.58 0.12 0.00 -0.02 0.00 0.00 56.01 56.66 1ncq n LEU 156 Cb 0.48 -0.58 0.11 0.00 -1.62 0.00 0.00 43.42 41.81 1ncq n LEU 156 CO 0.49 -0.55 0.64 -1.54 -1.22 0.00 0.00 177.39 175.21 1ncq n SER 157 N -1.75 2.97 -4.86 -1.43 3.41 -1.26 -4.72 113.62 105.97 1ncq n SER 157 Ca 0.01 -1.99 -0.31 0.00 -0.26 0.00 0.00 58.87 56.32 1ncq n SER 157 Cb 0.07 -0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.04 1ncq n SER 157 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ncq s SER 158 N -1.99 5.93 0.54 4.04 1.04 -0.51 -5.04 113.70 117.70 1ncq s SER 158 Ca 0.28 1.45 -0.16 0.00 0.48 0.00 0.00 55.95 58.00 1ncq s SER 158 Cb 0.20 -2.43 -0.07 0.00 0.10 0.00 0.00 66.02 63.82 1ncq s SER 158 CO 0.30 -1.07 1.00 0.00 0.98 0.00 0.00 173.24 174.46 1ncq s ALA 159 N -3.16 2.99 0.82 5.32 0.00 -1.26 -4.94 121.76 121.54 1ncq s ALA 159 Ca 0.56 0.22 -0.13 0.00 0.00 0.00 0.00 51.96 52.61 1ncq s ALA 159 Cb -0.12 -3.14 0.08 0.00 0.00 0.00 0.00 23.12 19.94 1ncq s ALA 159 CO 0.54 -0.40 1.14 0.09 0.00 0.00 0.00 175.76 177.14 1ncq n ASN 160 N -1.75 0.77 -3.86 0.00 3.02 -1.26 -5.03 115.26 107.14 1ncq n ASN 160 Ca 0.07 0.56 -0.11 0.00 -0.03 0.00 0.00 54.58 55.07 1ncq n ASN 160 Cb 0.54 -1.48 -0.10 0.00 -0.61 0.00 0.00 39.78 38.12 1ncq n ASN 160 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1ncq s GLU 161 N -4.09 0.41 -0.08 3.52 -1.05 -1.26 -5.07 118.70 111.07 1ncq s GLU 161 Ca 0.72 -0.27 -0.34 0.00 -0.15 0.00 0.00 54.97 54.93 1ncq s GLU 161 Cb -0.29 0.17 -0.12 0.00 -0.44 0.00 0.00 34.13 33.46 1ncq s GLU 161 CO 0.52 -0.09 1.88 0.28 0.95 0.00 0.00 175.26 178.80 1ncq n VAL 162 N 1.80 0.57 0.00 1.83 0.31 -1.26 -0.44 118.33 121.14 1ncq n VAL 162 Ca -0.20 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1ncq n VAL 162 Cb 0.56 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 1ncq n VAL 162 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ncq n GLY 163 N 4.39 1.71 3.90 2.92 0.00 -1.26 -5.01 105.19 111.84 1ncq n GLY 163 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 1ncq n GLY 163 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ncq n GLY 164 N -2.00 -0.80 3.94 -0.02 0.00 0.42 -1.06 105.19 105.67 1ncq n GLY 164 Ca 0.00 -1.82 -0.24 0.00 0.00 0.00 0.00 46.02 43.96 1ncq n GLY 164 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ncq s PRO 165 N -5.67 3.33 0.47 1.61 0.04 -1.26 -4.14 135.00 129.37 1ncq s PRO 165 Ca 0.73 -0.28 -0.22 0.00 0.04 0.00 0.00 61.00 61.28 1ncq s PRO 165 Cb -0.03 -2.56 -0.08 0.00 0.04 0.00 0.00 34.50 31.87 1ncq s PRO 165 CO 0.50 -0.09 1.07 0.54 0.04 0.00 0.00 177.00 179.07 1ncq s VAL 166 N -2.50 3.58 -0.17 -0.36 0.11 0.28 -4.54 120.40 116.78 1ncq s VAL 166 Ca 0.45 1.07 0.15 0.00 -2.93 0.00 0.00 61.98 60.72 1ncq s VAL 166 Cb -0.10 -3.49 0.43 0.00 -1.53 0.00 0.00 36.38 31.70 1ncq s VAL 166 CO 0.39 -0.12 1.20 0.29 -3.33 0.00 0.00 175.10 173.52 1ncq n LYS 167 N -0.69 1.48 -2.38 1.54 5.02 -1.26 -4.64 118.16 117.24 1ncq n LYS 167 Ca 0.08 -3.12 -0.43 0.00 -2.02 0.00 0.00 58.31 52.82 1ncq n LYS 167 Cb 0.51 -1.33 -0.02 0.00 -0.02 0.00 0.00 35.03 34.17 1ncq n LYS 167 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ncq s ASP 168 N -3.03 6.30 0.28 4.39 -0.00 -1.26 -4.72 116.67 118.64 1ncq s ASP 168 Ca 0.38 0.66 0.02 0.00 -0.00 0.00 0.00 52.55 53.61 1ncq s ASP 168 Cb 0.38 -2.54 0.63 0.00 -0.00 0.00 0.00 42.92 41.38 1ncq s ASP 168 CO -0.08 -1.49 1.78 0.58 -0.00 0.00 0.00 175.17 175.96 1ncq h VAL 169 N 6.43 0.75 -0.43 -1.27 2.07 -1.90 -0.87 116.25 121.04 1ncq h VAL 169 Ca -0.27 -0.26 0.13 0.00 0.82 0.00 0.00 66.70 67.12 1ncq h VAL 169 Cb 1.10 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1ncq h VAL 169 CO 1.11 0.14 0.34 0.25 0.02 0.00 0.00 177.57 179.43 1ncq h LEU 170 N 0.75 0.00 -3.32 2.57 7.12 -1.93 -2.38 115.31 118.11 1ncq h LEU 170 Ca 0.52 0.00 -0.10 0.00 0.13 0.00 0.00 57.88 58.43 1ncq h LEU 170 Cb 0.73 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.80 1ncq h LEU 170 CO -0.35 0.00 -0.01 -1.22 -0.13 0.00 0.00 178.44 176.73 1ncq n TYR 171 N -4.20 1.07 -1.47 1.25 0.53 -0.34 -1.53 117.16 112.46 1ncq n TYR 171 Ca 0.07 -1.24 -0.06 0.00 -1.02 0.00 0.00 57.90 55.66 1ncq n TYR 171 Cb 0.54 -0.41 -0.02 0.00 -1.03 0.00 0.00 39.34 38.41 1ncq n TYR 171 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1ncq n ASN 172 N -0.84 -1.76 -1.22 7.72 3.02 -0.90 -0.57 115.26 120.72 1ncq n ASN 172 Ca 0.28 0.19 -0.16 0.00 -0.03 0.00 0.00 54.58 54.86 1ncq n ASN 172 Cb 0.98 -1.83 -0.07 0.00 -0.61 0.00 0.00 39.78 38.26 1ncq n ASN 172 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1ncq n MET 173 N -1.68 -1.32 -0.32 3.52 2.81 -1.24 -4.76 117.12 114.13 1ncq n MET 173 Ca -0.06 1.05 0.00 0.00 -1.81 0.00 0.00 57.70 56.88 1ncq n MET 173 Cb 0.28 -5.33 0.00 0.00 -0.71 0.00 0.00 33.22 27.46 1ncq n MET 173 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1ncq n ASN 174 N -0.92 0.00 0.00 7.83 2.04 0.27 -0.76 115.26 123.71 1ncq n ASN 174 Ca -0.16 -1.22 0.00 0.00 -0.44 0.00 0.00 54.58 52.76 1ncq n ASN 174 Cb 0.58 -0.04 0.00 0.00 -2.53 0.00 0.00 39.78 37.78 1ncq n ASN 174 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1ncq n GLY 175 N 0.00 0.48 3.38 4.83 0.00 -0.61 -4.91 105.19 108.37 1ncq n GLY 175 Ca 0.00 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 1ncq n GLY 175 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ncq s THR 176 N -2.00 2.06 0.22 2.61 -4.23 -1.17 -5.05 115.64 108.08 1ncq s THR 176 Ca 0.00 -2.05 -0.30 0.00 -1.18 0.00 0.00 61.69 58.17 1ncq s THR 176 Cb 0.00 -2.01 -0.08 0.00 1.34 0.00 0.00 72.50 71.75 1ncq s THR 176 CO 0.00 -0.29 0.94 -0.76 -0.54 0.00 0.00 174.62 173.97 1ncq s LEU 177 N -2.84 4.62 0.23 4.79 1.43 -1.26 -3.17 118.68 122.48 1ncq s LEU 177 Ca 0.20 1.92 -0.08 0.00 -1.03 0.00 0.00 54.13 55.13 1ncq s LEU 177 Cb -0.06 -3.60 0.37 0.00 0.03 0.00 0.00 46.19 42.94 1ncq s LEU 177 CO 0.09 0.12 1.67 0.25 0.23 0.00 0.00 176.35 178.71 1ncq h LEU 178 N 4.40 -0.18 -2.09 1.79 5.85 -1.51 -1.80 115.31 121.77 1ncq h LEU 178 Ca -0.45 0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.50 1ncq h LEU 178 Cb 1.20 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 1ncq h LEU 178 CO 0.69 -0.09 0.33 1.23 -0.34 0.00 0.00 178.44 180.26 1ncq h GLY 179 N 0.17 0.00 -1.50 3.75 0.00 -1.93 -0.56 103.07 103.00 1ncq h GLY 179 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1ncq h GLY 179 CO -0.54 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.70 1ncq n ASN 180 N -3.55 2.37 0.25 0.19 3.02 -0.68 -4.02 115.26 112.85 1ncq n ASN 180 Ca 0.03 -1.90 0.17 0.00 -0.03 0.00 0.00 54.58 52.85 1ncq n ASN 180 Cb 0.46 -0.23 0.77 0.00 -0.61 0.00 0.00 39.78 40.17 1ncq n ASN 180 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1ncq h LEU 181 N 2.85 0.00 0.00 3.41 5.85 -1.20 -2.76 115.31 123.46 1ncq h LEU 181 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ncq h LEU 181 Cb 0.64 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1ncq h LEU 181 CO 0.00 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 178.28 1ncq n LEU 182 N -2.81 0.00 0.08 2.25 4.32 -1.26 -1.60 117.00 117.99 1ncq n LEU 182 Ca -0.00 0.36 0.13 0.00 -0.02 0.00 0.00 56.01 56.47 1ncq n LEU 182 Cb 0.20 -0.36 0.46 0.00 -1.62 0.00 0.00 43.42 42.10 1ncq n LEU 182 CO 0.22 -0.23 0.89 0.00 -1.22 0.00 0.00 177.39 177.05 1ncq n ILE 183 N -1.36 0.53 -3.59 -0.08 0.13 -1.04 -4.73 119.36 109.22 1ncq n ILE 183 Ca 0.04 -0.12 -0.29 0.00 -1.10 0.00 0.00 62.75 61.29 1ncq n ILE 183 Cb 0.10 -0.68 -0.03 0.00 -0.84 0.00 0.00 39.64 38.18 1ncq n ILE 183 CO 0.00 0.00 0.00 -0.36 2.80 0.00 0.00 176.55 178.99 1ncq s PHE 184 N -3.11 3.48 -0.01 9.51 0.40 -0.63 -5.00 117.98 122.62 1ncq s PHE 184 Ca 0.10 0.48 -0.34 0.00 -0.60 0.00 0.00 56.93 56.57 1ncq s PHE 184 Cb 0.13 -1.96 -0.12 0.00 0.51 0.00 0.00 43.02 41.58 1ncq s PHE 184 CO 0.53 0.33 1.81 -0.35 0.70 0.00 0.00 175.22 178.24 1ncq n PRO 185 N -0.58 2.25 -4.11 0.24 -0.04 -1.26 -4.84 135.00 126.67 1ncq n PRO 185 Ca -0.03 0.82 -0.16 0.00 -0.04 0.00 0.00 63.50 64.09 1ncq n PRO 185 Cb 0.53 -2.66 -0.04 0.00 -0.04 0.00 0.00 33.50 31.30 1ncq n PRO 185 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1ncq s HIS 186 N 3.25 1.21 0.05 0.54 -3.43 -1.26 -1.81 115.29 113.85 1ncq s HIS 186 Ca 0.89 -1.39 -0.27 0.00 -0.80 0.00 0.00 55.06 53.49 1ncq s HIS 186 Cb -0.66 -0.16 0.08 0.00 -1.43 0.00 0.00 32.58 30.41 1ncq s HIS 186 CO 0.47 -1.15 0.69 -1.14 -2.00 0.00 0.00 174.74 171.61 1ncq s GLN 187 N -2.93 1.10 0.10 -0.38 0.74 0.07 -4.88 119.66 113.49 1ncq s GLN 187 Ca 0.32 -0.19 0.08 0.00 0.05 0.00 0.00 55.36 55.62 1ncq s GLN 187 Cb -0.01 0.51 -0.04 0.00 1.10 0.00 0.00 33.01 34.58 1ncq s GLN 187 CO 0.23 -0.44 -0.15 -0.06 -0.55 0.00 0.00 175.29 174.33 1ncq s PHE 188 N -2.72 2.63 -0.48 1.67 0.08 -1.26 -0.37 117.98 117.52 1ncq s PHE 188 Ca -0.02 -0.21 0.00 0.00 0.12 0.00 0.00 56.93 56.82 1ncq s PHE 188 Cb -0.01 -1.39 0.13 0.00 -0.57 0.00 0.00 43.02 41.18 1ncq s PHE 188 CO -0.05 0.39 0.25 0.42 -0.10 0.00 0.00 175.22 176.14 1ncq s ILE 189 N -1.15 3.04 -0.53 0.64 1.01 0.74 -4.85 121.20 120.09 1ncq s ILE 189 Ca 0.19 -2.67 -0.16 0.00 0.00 0.00 0.00 60.65 58.00 1ncq s ILE 189 Cb -0.11 -3.08 0.11 0.00 0.01 0.00 0.00 42.46 39.39 1ncq s ILE 189 CO 0.11 -0.75 0.51 0.21 0.00 0.00 0.00 174.94 175.02 1ncq s ASN 190 N 0.81 6.18 0.35 3.58 3.04 -1.26 -0.86 114.94 126.78 1ncq s ASN 190 Ca 0.13 -1.61 0.24 0.00 0.04 0.00 0.00 52.86 51.67 1ncq s ASN 190 Cb -0.22 -2.22 1.20 0.00 -1.54 0.00 0.00 41.25 38.47 1ncq s ASN 190 CO -0.04 -0.85 1.30 0.18 -3.04 0.00 0.00 177.10 174.65 1ncq n LEU 191 N 5.42 0.21 0.19 3.21 4.77 -0.49 0.12 117.00 130.43 1ncq n LEU 191 Ca -0.13 1.22 0.14 0.00 -0.03 0.00 0.00 56.01 57.21 1ncq n LEU 191 Cb 0.41 -0.60 0.55 0.00 -2.33 0.00 0.00 43.42 41.45 1ncq n LEU 191 CO 0.53 -1.33 0.91 0.08 -1.33 0.00 0.00 177.39 176.25 1ncq h ARG 192 N 0.00 0.00 0.00 3.23 0.11 -1.85 -3.36 114.38 112.51 1ncq h ARG 192 Ca 0.72 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.77 1ncq h ARG 192 Cb 2.20 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.28 1ncq h ARG 192 CO -0.46 0.00 -0.97 2.41 0.10 0.00 0.00 179.97 181.05 1ncq n THR 193 N -2.62 0.32 -2.81 0.08 -1.04 0.32 -5.08 114.28 103.44 1ncq n THR 193 Ca 0.02 0.03 -0.19 0.00 -2.04 0.00 0.00 64.05 61.87 1ncq n THR 193 Cb 0.29 -1.55 0.08 0.00 -1.82 0.00 0.00 70.33 67.33 1ncq n THR 193 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ncq n ASN 194 N -3.19 1.58 0.00 8.00 3.02 0.14 -4.82 115.26 119.99 1ncq n ASN 194 Ca -0.04 -2.22 0.00 0.00 -0.03 0.00 0.00 54.58 52.29 1ncq n ASN 194 Cb 0.46 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1ncq n ASN 194 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1ncq n ASN 195 N -2.65 0.00 -3.78 6.41 2.04 -1.05 -4.31 115.26 111.92 1ncq n ASN 195 Ca 0.15 -0.04 -0.11 0.00 -0.44 0.00 0.00 54.58 54.14 1ncq n ASN 195 Cb 0.54 0.00 -0.08 0.00 -2.53 0.00 0.00 39.78 37.71 1ncq n ASN 195 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1ncq s THR 196 N 0.00 0.09 -0.01 5.53 -4.23 -1.24 -0.30 115.64 115.48 1ncq s THR 196 Ca 0.00 -0.76 0.02 0.00 -1.18 0.00 0.00 61.69 59.77 1ncq s THR 196 Cb 0.00 -0.95 -0.00 0.00 1.34 0.00 0.00 72.50 72.88 1ncq s THR 196 CO 0.00 -0.42 -0.08 0.00 -0.54 0.00 0.00 174.62 173.58 1ncq s ALA 197 N -2.64 0.72 -0.06 3.99 0.00 -0.33 -4.39 121.76 119.05 1ncq s ALA 197 Ca -0.04 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 51.60 1ncq s ALA 197 Cb -0.01 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1ncq s ALA 197 CO -0.04 0.15 -0.06 0.99 0.00 0.00 0.00 175.76 176.80 1ncq s THR 198 N -0.02 0.73 -0.07 0.00 2.01 -1.26 -1.10 115.64 115.93 1ncq s THR 198 Ca 0.01 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 61.81 1ncq s THR 198 Cb -0.05 -0.74 0.02 0.00 0.01 0.00 0.00 72.50 71.74 1ncq s THR 198 CO -0.00 0.28 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.52 1ncq s ILE 199 N 1.13 0.75 -0.25 1.82 1.01 -0.18 -1.03 121.20 124.44 1ncq s ILE 199 Ca -0.07 -0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.27 1ncq s ILE 199 Cb -0.14 -0.77 -0.05 0.00 0.01 0.00 0.00 42.46 41.51 1ncq s ILE 199 CO -0.01 0.29 0.26 -0.69 0.00 0.00 0.00 174.94 174.79 1ncq s VAL 200 N 1.30 5.28 -0.23 2.92 1.01 0.13 -0.01 120.40 130.79 1ncq s VAL 200 Ca -0.04 0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.23 1ncq s VAL 200 Cb -0.14 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1ncq s VAL 200 CO -0.03 0.26 0.02 -0.63 0.00 0.00 0.00 175.10 174.73 1ncq s ILE 201 N 1.52 3.90 0.50 2.22 1.01 0.24 -1.49 121.20 129.09 1ncq s ILE 201 Ca 0.11 -0.31 -0.05 0.00 0.00 0.00 0.00 60.65 60.40 1ncq s ILE 201 Cb -0.15 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 1ncq s ILE 201 CO 0.08 0.38 0.80 -2.16 0.00 0.00 0.00 174.94 174.04 1ncq s PRO 202 N 1.52 3.41 -0.00 2.79 0.04 -1.26 -0.63 135.00 140.86 1ncq s PRO 202 Ca 0.06 0.13 -0.30 0.00 0.04 0.00 0.00 61.00 60.93 1ncq s PRO 202 Cb -0.15 -2.37 -0.07 0.00 0.04 0.00 0.00 34.50 31.96 1ncq s PRO 202 CO 0.01 -0.29 1.71 -0.47 0.04 0.00 0.00 177.00 178.00 1ncq s TYR 203 N -2.78 1.96 -0.22 0.56 6.14 -1.26 -4.87 117.35 116.89 1ncq s TYR 203 Ca 0.48 0.10 0.01 0.00 0.64 0.00 0.00 57.07 58.31 1ncq s TYR 203 Cb -0.10 -3.99 0.05 0.00 0.42 0.00 0.00 41.96 38.34 1ncq s TYR 203 CO 0.45 -4.18 -0.10 0.42 0.64 0.00 0.00 175.55 172.78 1ncq s ILE 204 N 3.74 1.79 0.04 3.14 1.01 -1.26 -5.06 121.20 124.60 1ncq s ILE 204 Ca 0.76 -1.21 -0.27 0.00 0.00 0.00 0.00 60.65 59.93 1ncq s ILE 204 Cb -0.37 -1.89 0.09 0.00 0.01 0.00 0.00 42.46 40.31 1ncq s ILE 204 CO 0.33 0.10 0.84 0.21 0.00 0.00 0.00 174.94 176.42 1ncq s ASN 205 N 1.31 -0.38 0.00 3.58 3.04 -1.26 -4.94 114.94 116.29 1ncq s ASN 205 Ca -0.04 -0.04 0.21 0.00 0.04 0.00 0.00 52.86 53.04 1ncq s ASN 205 Cb -0.17 0.43 0.89 0.00 -1.54 0.00 0.00 41.25 40.85 1ncq s ASN 205 CO -0.07 -0.71 1.62 -1.54 -3.04 0.00 0.00 177.10 173.36 1ncq n SER 206 N -0.29 1.23 -4.13 -4.21 3.41 -1.26 -4.81 113.62 103.57 1ncq n SER 206 Ca -0.10 -1.61 -0.17 0.00 -0.26 0.00 0.00 58.87 56.73 1ncq n SER 206 Cb 0.62 -0.07 -0.12 0.00 -0.26 0.00 0.00 64.21 64.38 1ncq n SER 206 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1ncq s VAL 207 N -1.86 0.93 0.20 -3.33 -7.23 -1.26 -5.07 120.40 102.78 1ncq s VAL 207 Ca 0.32 -1.16 -0.11 0.00 -1.81 0.00 0.00 61.98 59.23 1ncq s VAL 207 Cb 0.17 -0.91 0.14 0.00 0.56 0.00 0.00 36.38 36.34 1ncq s VAL 207 CO 0.26 -0.22 1.72 -0.65 -0.31 0.00 0.00 175.10 175.90 1ncq h PRO 208 N 4.51 0.29 -4.25 4.82 0.11 -1.87 -3.44 132.00 132.17 1ncq h PRO 208 Ca -0.39 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.54 1ncq h PRO 208 Cb 1.19 -0.07 -0.14 0.00 0.11 0.00 0.00 31.00 32.10 1ncq h PRO 208 CO 0.41 0.19 -0.50 -1.50 -0.21 0.00 0.00 178.00 176.40 1ncq s ILE 209 N -6.11 0.05 0.30 4.15 2.07 -1.26 -4.94 121.20 115.46 1ncq s ILE 209 Ca -0.13 -1.75 -0.20 0.00 -1.41 0.00 0.00 60.65 57.17 1ncq s ILE 209 Cb 0.17 -2.14 0.03 0.00 0.13 0.00 0.00 42.46 40.64 1ncq s ILE 209 CO 0.74 -0.24 0.72 -0.62 -1.91 0.00 0.00 174.94 173.63 1ncq s ASP 210 N -3.06 -0.20 0.18 4.50 3.68 -0.95 -4.93 116.67 115.89 1ncq s ASP 210 Ca 0.26 -0.72 -0.30 0.00 2.13 0.00 0.00 52.55 53.92 1ncq s ASP 210 Cb 0.05 0.75 -0.08 0.00 -1.45 0.00 0.00 42.92 42.19 1ncq s ASP 210 CO 0.05 -1.41 1.27 -0.55 0.13 0.00 0.00 175.17 174.67 1ncq s SER 211 N -2.95 6.96 0.00 -0.34 0.15 -1.26 -0.16 113.70 116.10 1ncq s SER 211 Ca 0.12 2.32 0.25 0.00 0.70 0.00 0.00 55.95 59.34 1ncq s SER 211 Cb -0.06 -2.61 0.52 0.00 -1.71 0.00 0.00 66.02 62.16 1ncq s SER 211 CO 0.08 -0.49 1.43 0.23 1.20 0.00 0.00 173.24 175.69 1ncq n MET 212 N 2.77 1.61 -0.09 5.44 0.00 -1.26 -3.78 117.12 121.80 1ncq n MET 212 Ca 0.06 -1.17 -0.12 0.00 0.00 0.00 0.00 57.70 56.47 1ncq n MET 212 Cb 0.44 -1.48 -0.10 0.00 0.00 0.00 0.00 33.22 32.08 1ncq n MET 212 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1ncq n THR 213 N 0.33 1.10 1.30 2.03 -2.24 -1.26 -4.56 114.28 110.98 1ncq n THR 213 Ca 0.14 -0.48 0.13 0.00 -2.27 0.00 0.00 64.05 61.57 1ncq n THR 213 Cb 0.45 -1.05 0.41 0.00 -2.10 0.00 0.00 70.33 68.04 1ncq n THR 213 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1ncq n ARG 214 N -2.95 1.00 -3.77 -0.78 1.85 -1.26 -4.84 116.66 105.90 1ncq n ARG 214 Ca -0.32 -0.58 -0.17 0.00 -1.00 0.00 0.00 57.85 55.78 1ncq n ARG 214 Cb 0.90 -1.49 -0.17 0.00 -1.05 0.00 0.00 32.46 30.66 1ncq n ARG 214 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1ncq s HIS 215 N -2.40 0.11 -0.29 2.89 5.04 -1.25 -5.10 115.29 114.29 1ncq s HIS 215 Ca 0.27 0.13 -0.09 0.00 -1.54 0.00 0.00 55.06 53.83 1ncq s HIS 215 Cb 0.20 -0.35 -0.01 0.00 0.04 0.00 0.00 32.58 32.45 1ncq s HIS 215 CO 0.48 -0.13 0.13 -0.80 -2.34 0.00 0.00 174.74 172.08 1ncq s ASN 216 N 1.37 5.43 0.21 9.88 0.02 -1.26 -4.61 114.94 125.98 1ncq s ASN 216 Ca -0.05 -0.46 -0.07 0.00 -1.02 0.00 0.00 52.86 51.27 1ncq s ASN 216 Cb -0.13 -1.97 0.17 0.00 0.02 0.00 0.00 41.25 39.34 1ncq s ASN 216 CO -0.03 -0.15 1.72 0.78 0.02 0.00 0.00 177.10 179.43 1ncq h ASN 217 N 8.31 0.99 -5.21 -1.22 2.35 -1.65 -3.42 115.58 115.73 1ncq h ASN 217 Ca -0.33 -0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 55.10 1ncq h ASN 217 Cb 1.15 -0.26 -0.12 0.00 0.05 0.00 0.00 38.32 39.14 1ncq h ASN 217 CO 0.60 0.99 -0.25 0.68 -1.65 0.00 0.00 177.43 177.81 1ncq s VAL 218 N -5.17 0.06 0.05 2.81 -7.23 -1.22 -0.67 120.40 109.04 1ncq s VAL 218 Ca -0.11 -1.22 0.05 0.00 -1.81 0.00 0.00 61.98 58.89 1ncq s VAL 218 Cb 0.15 -1.72 -0.02 0.00 0.56 0.00 0.00 36.38 35.34 1ncq s VAL 218 CO 0.84 -0.29 -0.15 -0.94 -0.31 0.00 0.00 175.10 174.24 1ncq s SER 219 N -2.93 1.81 -0.15 4.85 1.04 -0.78 -1.08 113.70 116.45 1ncq s SER 219 Ca 0.14 -0.51 -0.05 0.00 0.48 0.00 0.00 55.95 56.01 1ncq s SER 219 Cb 0.03 -0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.00 1ncq s SER 219 CO -0.02 0.03 0.03 -0.22 0.98 0.00 0.00 173.24 174.04 1ncq s LEU 220 N -1.30 3.66 -0.04 2.42 2.96 0.82 -1.26 118.68 125.94 1ncq s LEU 220 Ca 0.02 0.07 0.05 0.00 -0.22 0.00 0.00 54.13 54.04 1ncq s LEU 220 Cb -0.08 -1.89 -0.00 0.00 0.50 0.00 0.00 46.19 44.71 1ncq s LEU 220 CO 0.02 0.23 -0.18 -0.04 -1.32 0.00 0.00 176.35 175.06 1ncq s MET 221 N -0.01 1.83 -0.27 1.98 -1.94 -0.31 -0.41 119.30 120.16 1ncq s MET 221 Ca 0.04 -0.64 0.02 0.00 -1.71 0.00 0.00 55.69 53.41 1ncq s MET 221 Cb -0.13 -1.59 0.06 0.00 2.01 0.00 0.00 34.83 35.18 1ncq s MET 221 CO 0.01 0.26 -0.08 0.08 -0.01 0.00 0.00 175.02 175.29 1ncq s VAL 222 N -0.01 2.30 -0.14 -6.03 1.01 -0.74 -1.54 120.40 115.25 1ncq s VAL 222 Ca -0.03 -1.66 0.01 0.00 0.00 0.00 0.00 61.98 60.30 1ncq s VAL 222 Cb -0.11 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.90 1ncq s VAL 222 CO 0.02 -0.09 -0.18 -0.63 0.00 0.00 0.00 175.10 174.23 1ncq s ILE 223 N 1.11 1.78 0.07 2.22 1.01 0.12 -1.21 121.20 126.30 1ncq s ILE 223 Ca -0.07 -0.79 -0.31 0.00 0.00 0.00 0.00 60.65 59.49 1ncq s ILE 223 Cb -0.20 -1.62 -0.07 0.00 0.01 0.00 0.00 42.46 40.58 1ncq s ILE 223 CO -0.05 0.50 1.37 -2.84 0.00 0.00 0.00 174.94 173.92 1ncq s PRO 224 N 1.16 4.32 -0.04 2.79 0.02 -1.26 -0.22 135.00 141.78 1ncq s PRO 224 Ca -0.01 2.01 -0.05 0.00 0.02 0.00 0.00 61.00 62.97 1ncq s PRO 224 Cb -0.14 -3.36 -0.02 0.00 0.02 0.00 0.00 34.50 31.00 1ncq s PRO 224 CO -0.07 -0.46 -0.10 -0.89 -0.33 0.00 0.00 177.00 175.15 1ncq n ILE 225 N 4.17 0.55 -2.87 2.83 2.08 0.70 -4.85 119.36 121.96 1ncq n ILE 225 Ca 0.12 0.31 -0.42 0.00 0.56 0.00 0.00 62.75 63.32 1ncq n ILE 225 Cb 0.43 -1.67 -0.04 0.00 -0.75 0.00 0.00 39.64 37.61 1ncq n ILE 225 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ncq s ALA 226 N -2.71 3.65 0.80 -1.39 0.00 -1.11 -4.94 121.76 116.06 1ncq s ALA 226 Ca -0.08 -0.10 -0.14 0.00 0.00 0.00 0.00 51.96 51.64 1ncq s ALA 226 Cb 0.01 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 19.89 1ncq s ALA 226 CO 0.12 -0.93 1.14 -0.35 0.00 0.00 0.00 175.76 175.74 1ncq n PRO 227 N 6.01 0.23 -2.06 0.00 -0.04 -1.26 -1.21 135.00 136.67 1ncq n PRO 227 Ca 0.06 0.15 -0.40 0.00 -0.04 0.00 0.00 63.50 63.27 1ncq n PRO 227 Cb 0.47 -2.39 -0.01 0.00 -0.04 0.00 0.00 33.50 31.54 1ncq n PRO 227 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ncq s LEU 228 N -5.07 4.30 -0.04 1.53 2.96 -1.26 -4.14 118.68 116.95 1ncq s LEU 228 Ca 0.73 2.69 -0.01 0.00 -0.22 0.00 0.00 54.13 57.32 1ncq s LEU 228 Cb -0.30 -3.80 0.03 0.00 0.50 0.00 0.00 46.19 42.62 1ncq s LEU 228 CO 0.51 -0.74 0.05 -0.89 -1.32 0.00 0.00 176.35 173.96 1ncq s THR 229 N -1.21 -0.04 0.18 3.68 2.01 -0.08 -4.74 115.64 115.45 1ncq s THR 229 Ca 0.54 0.34 0.08 0.00 0.31 0.00 0.00 61.69 62.96 1ncq s THR 229 Cb -0.39 -0.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 1ncq s THR 229 CO 0.51 0.17 -0.02 0.68 -0.69 0.00 0.00 174.62 175.27 1ncq s VAL 230 N 1.88 3.58 0.81 3.82 -7.23 -1.26 -1.91 120.40 120.09 1ncq s VAL 230 Ca 0.02 -1.52 -0.11 0.00 -1.81 0.00 0.00 61.98 58.56 1ncq s VAL 230 Cb -0.12 -2.81 0.08 0.00 0.56 0.00 0.00 36.38 34.09 1ncq s VAL 230 CO -0.03 -0.13 1.12 -2.16 -0.31 0.00 0.00 175.10 173.59 1ncq s PRO 231 N -2.99 1.83 -0.45 4.82 0.04 -1.26 -4.84 135.00 132.16 1ncq s PRO 231 Ca 0.27 1.39 -0.45 0.00 0.04 0.00 0.00 61.00 62.25 1ncq s PRO 231 Cb -0.09 -1.83 -0.19 0.00 0.04 0.00 0.00 34.50 32.43 1ncq s PRO 231 CO 0.18 -1.99 1.70 2.41 0.04 0.00 0.00 177.00 179.34 1ncq n THR 232 N -3.62 0.07 -1.11 1.26 -1.04 -1.26 -1.24 114.28 107.35 1ncq n THR 232 Ca 0.11 -0.02 -0.04 0.00 -2.04 0.00 0.00 64.05 62.06 1ncq n THR 232 Cb 0.52 -0.69 -0.02 0.00 -1.82 0.00 0.00 70.33 68.33 1ncq n THR 232 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ncq n GLY 233 N 4.46 0.64 3.94 3.41 0.00 -1.26 -5.03 105.19 111.35 1ncq n GLY 233 Ca 0.33 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1ncq n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ncq s ALA 234 N -1.95 3.63 0.06 4.61 0.00 -0.37 -5.00 121.76 122.75 1ncq s ALA 234 Ca 0.00 -0.88 -0.33 0.00 0.00 0.00 0.00 51.96 50.75 1ncq s ALA 234 Cb 0.00 -2.25 -0.12 0.00 0.00 0.00 0.00 23.12 20.74 1ncq s ALA 234 CO 0.00 -0.30 1.77 2.41 0.00 0.00 0.00 175.76 179.64 1ncq n THR 235 N -2.06 0.32 -0.36 0.00 -1.04 -1.26 -4.81 114.28 105.07 1ncq n THR 235 Ca -0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1ncq n THR 235 Cb 0.57 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 1ncq n THR 235 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1ncq n PRO 236 N 5.25 0.80 -3.56 -2.82 -0.04 -1.26 -4.80 135.00 128.57 1ncq n PRO 236 Ca 0.19 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.54 1ncq n PRO 236 Cb 0.32 -1.10 -0.03 0.00 -0.04 0.00 0.00 33.50 32.65 1ncq n PRO 236 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ncq s SER 237 N 1.96 -0.37 -0.04 3.54 1.04 -1.26 -4.00 113.70 114.57 1ncq s SER 237 Ca 0.00 -0.21 -0.05 0.00 0.48 0.00 0.00 55.95 56.18 1ncq s SER 237 Cb 0.00 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.66 1ncq s SER 237 CO 0.00 -0.91 0.13 -0.76 0.98 0.00 0.00 173.24 172.67 1ncq s LEU 238 N -2.79 1.54 0.31 2.42 1.02 -0.43 -4.98 118.68 115.77 1ncq s LEU 238 Ca 0.03 0.18 -0.13 0.00 0.02 0.00 0.00 54.13 54.23 1ncq s LEU 238 Cb 0.01 0.46 -0.08 0.00 0.02 0.00 0.00 46.19 46.59 1ncq s LEU 238 CO -0.12 -0.09 0.70 -2.16 0.02 0.00 0.00 176.35 174.70 1ncq s PRO 239 N -0.15 3.91 -0.10 1.29 0.04 -1.26 0.07 135.00 138.81 1ncq s PRO 239 Ca -0.02 0.54 0.03 0.00 0.04 0.00 0.00 61.00 61.58 1ncq s PRO 239 Cb -0.02 -2.48 0.01 0.00 0.04 0.00 0.00 34.50 32.05 1ncq s PRO 239 CO 0.00 0.16 -0.18 0.42 0.04 0.00 0.00 177.00 177.45 1ncq s ILE 240 N -2.01 1.61 -0.05 0.56 1.01 0.07 -4.57 121.20 117.83 1ncq s ILE 240 Ca 0.52 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 60.49 1ncq s ILE 240 Cb -0.10 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 1ncq s ILE 240 CO 0.21 0.46 -0.25 -0.89 0.00 0.00 0.00 174.94 174.47 1ncq s THR 241 N 0.68 2.07 -0.18 2.92 2.01 -0.09 -0.71 115.64 122.35 1ncq s THR 241 Ca -0.13 -1.07 -0.01 0.00 0.31 0.00 0.00 61.69 60.79 1ncq s THR 241 Cb -0.16 -1.74 -0.00 0.00 0.01 0.00 0.00 72.50 70.61 1ncq s THR 241 CO 0.03 0.57 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.73 1ncq s VAL 242 N -0.26 2.88 -0.12 3.82 1.01 -1.26 0.40 120.40 126.87 1ncq s VAL 242 Ca -0.01 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1ncq s VAL 242 Cb -0.13 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1ncq s VAL 242 CO 0.03 0.48 -0.22 -0.89 0.00 0.00 0.00 175.10 174.50 1ncq s THR 243 N 1.14 1.96 -0.03 3.92 2.01 -0.25 -0.86 115.64 123.53 1ncq s THR 243 Ca 0.01 -0.94 0.04 0.00 0.31 0.00 0.00 61.69 61.11 1ncq s THR 243 Cb -0.14 -1.72 -0.00 0.00 0.01 0.00 0.00 72.50 70.64 1ncq s THR 243 CO -0.04 0.53 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.65 1ncq s ILE 244 N 0.65 1.23 -0.12 1.82 1.01 -0.19 -0.53 121.20 125.07 1ncq s ILE 244 Ca -0.12 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 59.92 1ncq s ILE 244 Cb -0.16 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.27 1ncq s ILE 244 CO 0.02 0.36 -0.14 0.00 0.00 0.00 0.00 174.94 175.19 1ncq s ALA 245 N -0.01 1.70 0.54 9.38 0.00 -0.68 -0.31 121.76 132.37 1ncq s ALA 245 Ca -0.01 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 50.99 1ncq s ALA 245 Cb -0.10 -0.92 -0.06 0.00 0.00 0.00 0.00 23.12 22.04 1ncq s ALA 245 CO 0.01 -0.24 1.07 -2.14 0.00 0.00 0.00 175.76 174.46 1ncq s PRO 246 N 1.28 3.52 -0.04 0.00 0.02 -1.25 -0.86 135.00 137.67 1ncq s PRO 246 Ca -0.01 1.37 -0.06 0.00 0.02 0.00 0.00 61.00 62.32 1ncq s PRO 246 Cb -0.14 -2.05 0.01 0.00 0.02 0.00 0.00 34.50 32.34 1ncq s PRO 246 CO -0.06 -0.67 0.15 0.00 -0.33 0.00 0.00 177.00 176.09 1ncq s MET 247 N -3.52 0.30 -1.26 5.54 0.23 0.96 -3.88 119.30 117.67 1ncq s MET 247 Ca 0.67 -0.01 -0.01 0.00 -1.03 0.00 0.00 55.69 55.31 1ncq s MET 247 Cb -0.18 0.13 0.00 0.00 -1.53 0.00 0.00 34.83 33.26 1ncq s MET 247 CO 0.27 -0.06 0.91 0.00 -2.03 0.00 0.00 175.02 174.11 1ncq s THR 249 N -3.46 4.98 -0.03 0.00 2.01 -1.26 -4.40 115.64 113.48 1ncq s THR 249 Ca 0.07 1.51 0.04 0.00 0.31 0.00 0.00 61.69 63.61 1ncq s THR 249 Cb -0.03 -4.07 -0.00 0.00 0.01 0.00 0.00 72.50 68.41 1ncq s THR 249 CO 0.76 0.27 -0.13 -0.70 -0.69 0.00 0.00 174.62 174.13 1ncq s GLU 250 N 0.63 1.28 0.04 4.92 2.12 -0.23 -4.44 118.70 123.02 1ncq s GLU 250 Ca 0.38 -0.45 0.07 0.00 0.36 0.00 0.00 54.97 55.33 1ncq s GLU 250 Cb -0.18 -1.16 -0.02 0.00 0.26 0.00 0.00 34.13 33.02 1ncq s GLU 250 CO 0.20 0.20 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.84 1ncq s PHE 251 N 0.01 1.88 -0.00 5.30 0.08 -0.25 -1.10 117.98 123.91 1ncq s PHE 251 Ca -0.01 -0.38 -0.06 0.00 0.12 0.00 0.00 56.93 56.60 1ncq s PHE 251 Cb -0.09 -1.13 0.00 0.00 -0.57 0.00 0.00 43.02 41.23 1ncq s PHE 251 CO 0.01 0.09 0.12 0.45 -0.10 0.00 0.00 175.22 175.78 1ncq s SER 252 N -1.13 0.03 -0.37 1.36 0.15 0.18 -0.22 113.70 113.72 1ncq s SER 252 Ca 0.08 -0.19 -0.01 0.00 0.70 0.00 0.00 55.95 56.53 1ncq s SER 252 Cb -0.09 0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 64.41 1ncq s SER 252 CO 0.02 -0.33 0.33 0.61 1.20 0.00 0.00 173.24 175.07 1ncq n GLY 253 N 1.63 -0.30 3.77 9.45 0.00 -1.26 -0.99 105.19 117.48 1ncq n GLY 253 Ca -0.22 0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 1ncq n GLY 253 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ncq s ILE 254 N -3.08 3.57 0.00 -0.61 2.07 -1.26 -0.79 121.20 121.09 1ncq s ILE 254 Ca 0.09 1.40 0.00 0.00 -1.41 0.00 0.00 60.65 60.74 1ncq s ILE 254 Cb -0.01 -3.82 0.00 0.00 0.13 0.00 0.00 42.46 38.75 1ncq s ILE 254 CO 0.30 0.20 0.00 -2.11 -1.91 0.00 0.00 174.94 171.43 1ncq n ARG 255 N 0.61 0.00 -0.32 3.50 0.00 0.34 -4.94 116.66 115.85 1ncq n ARG 255 Ca 0.02 0.00 0.18 0.00 -0.00 0.00 0.00 57.85 58.05 1ncq n ARG 255 Cb 0.47 0.00 0.38 0.00 -0.00 0.00 0.00 32.46 33.31 1ncq n ARG 255 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1ncq h SER 256 N 0.00 0.27 0.00 2.89 0.02 -1.93 -3.45 113.55 111.35 1ncq h SER 256 Ca 0.00 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1ncq h SER 256 Cb 0.00 0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1ncq h SER 256 CO 0.00 -0.13 0.00 1.17 -1.14 0.00 0.00 176.83 176.73 1ncq n LYS 257 N -5.13 0.00 -1.22 3.45 4.81 -1.25 -4.97 118.16 113.85 1ncq n LYS 257 Ca 0.26 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.35 1ncq n LYS 257 Cb 0.82 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.97 1ncq n LYS 257 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1ncq n SER 258 N 0.00 -0.05 -3.94 3.14 7.64 0.52 -4.95 113.62 115.97 1ncq n SER 258 Ca 0.00 0.60 -0.30 0.00 1.01 0.00 0.00 58.87 60.18 1ncq n SER 258 Cb 0.00 -1.36 -0.16 0.00 -1.01 0.00 0.00 64.21 61.68 1ncq n SER 258 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1ncq s ILE 259 N -1.96 1.44 0.21 0.44 1.01 -1.26 -4.98 121.20 116.10 1ncq s ILE 259 Ca 0.70 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 60.45 1ncq s ILE 259 Cb -0.32 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1ncq s ILE 259 CO 0.54 0.06 0.11 0.68 0.00 0.00 0.00 174.94 176.34 1ncq s VAL 260 N 1.47 4.18 -0.22 2.92 -7.23 -1.26 -5.04 120.40 115.22 1ncq s VAL 260 Ca -0.02 -1.38 -0.40 0.00 -1.81 0.00 0.00 61.98 58.37 1ncq s VAL 260 Cb -0.17 -3.19 -0.18 0.00 0.56 0.00 0.00 36.38 33.40 1ncq s VAL 260 CO -0.07 -0.23 1.22 -2.65 -0.31 0.00 0.00 175.10 173.06 1ncq n PRO 261 N -0.68 0.00 -0.52 4.82 -0.02 -1.26 -5.17 135.00 132.17 1ncq n PRO 261 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1ncq n PRO 261 Cb 0.56 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 1ncq n PRO 261 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42