#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqn s LYS 3 N 0.00 1.79 -0.03 -0.14 1.02 -1.26 -4.88 119.74 116.24 1nqn s LYS 3 Ca 0.00 -1.15 -0.18 0.00 0.02 0.00 0.00 55.97 54.66 1nqn s LYS 3 Cb 0.00 -2.08 -0.05 0.00 -0.52 0.00 0.00 37.83 35.18 1nqn s LYS 3 CO 0.00 0.49 0.49 0.00 -0.92 0.00 0.00 175.35 175.42 1nqn s SER 5 N -0.36 2.68 0.32 0.00 0.15 -1.26 -4.76 113.70 110.47 1nqn s SER 5 Ca 0.27 -0.46 0.12 0.00 0.70 0.00 0.00 55.95 56.57 1nqn s SER 5 Cb -0.17 -1.01 0.53 0.00 -1.71 0.00 0.00 66.02 63.66 1nqn s SER 5 CO 0.14 0.16 1.72 -0.07 1.20 0.00 0.00 173.24 176.39 1nqn h LEU 6 N 6.51 0.00 -9.71 3.45 4.07 -1.97 -3.45 115.31 114.20 1nqn h LEU 6 Ca -0.27 0.00 -0.52 0.00 0.08 0.00 0.00 57.88 57.17 1nqn h LEU 6 Cb 1.20 0.00 0.07 0.00 1.08 0.00 0.00 40.66 43.01 1nqn h LEU 6 CO 0.47 0.50 0.96 -0.89 -1.08 0.00 0.00 178.44 178.40 1nqn s THR 7 N -3.89 2.07 -3.92 0.22 2.01 -1.26 -4.61 115.64 106.26 1nqn s THR 7 Ca -0.02 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1nqn s THR 7 Cb 0.13 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.61 1nqn s THR 7 CO 0.74 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.29 1nqn n GLY 8 N 3.26 0.84 3.51 4.40 0.00 -0.58 -4.96 105.19 111.66 1nqn n GLY 8 Ca 0.13 -1.99 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 1nqn n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nqn s LYS 9 N -1.57 3.09 0.09 1.61 1.02 -1.26 -0.63 119.74 122.10 1nqn s LYS 9 Ca 0.00 -0.58 0.05 0.00 0.02 0.00 0.00 55.97 55.46 1nqn s LYS 9 Cb 0.00 -2.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.61 1nqn s LYS 9 CO 0.00 0.47 -0.13 -1.58 -0.92 0.00 0.00 175.35 173.19 1nqn s TRP 10 N -0.28 1.23 0.08 3.18 0.52 0.14 -1.61 118.94 122.19 1nqn s TRP 10 Ca 0.04 -0.54 0.00 0.00 0.02 0.00 0.00 56.10 55.62 1nqn s TRP 10 Cb -0.13 -0.67 -0.04 0.00 -1.15 0.00 0.00 33.47 31.48 1nqn s TRP 10 CO 0.03 0.07 -0.05 -0.08 0.02 0.00 0.00 176.95 176.94 1nqn s THR 11 N -1.84 0.46 0.13 2.01 -1.32 -0.24 -0.69 115.64 114.13 1nqn s THR 11 Ca 0.03 -1.88 0.00 0.00 -1.21 0.00 0.00 61.69 58.64 1nqn s THR 11 Cb -0.07 -1.62 -0.00 0.00 -1.51 0.00 0.00 72.50 69.30 1nqn s THR 11 CO 0.02 -0.92 0.00 -0.46 -2.21 0.00 0.00 174.62 171.05 1nqn n ASN 12 N 0.03 2.19 -0.20 8.08 0.23 -1.21 -1.32 115.26 123.04 1nqn n ASN 12 Ca -0.13 -1.57 0.05 0.00 -0.53 0.00 0.00 54.58 52.41 1nqn n ASN 12 Cb 0.61 0.11 0.32 0.00 -2.08 0.00 0.00 39.78 38.75 1nqn n ASN 12 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1nqn h ASP 13 N 0.32 0.72 0.10 0.53 2.03 -1.94 -2.04 116.42 116.14 1nqn h ASP 13 Ca -0.10 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.20 1nqn h ASP 13 Cb 0.32 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.67 1nqn h ASP 13 CO 0.17 0.47 -0.01 -0.11 -1.03 0.00 0.00 179.24 178.74 1nqn n LEU 14 N -4.48 0.18 0.00 0.15 7.94 -1.26 -4.89 117.00 114.64 1nqn n LEU 14 Ca 0.11 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 1nqn n LEU 14 Cb 0.20 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.10 1nqn n LEU 14 CO 0.34 0.03 0.00 0.61 -1.11 0.00 0.00 177.39 177.26 1nqn n GLY 15 N 1.07 0.64 3.70 -3.96 0.00 -0.77 -4.96 105.19 100.92 1nqn n GLY 15 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1nqn n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nqn s SER 16 N -2.24 3.50 -0.12 1.61 0.01 -1.26 -4.83 113.70 110.37 1nqn s SER 16 Ca 0.00 2.15 -0.00 0.00 1.31 0.00 0.00 55.95 59.41 1nqn s SER 16 Cb 0.00 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.69 1nqn s SER 16 CO 0.00 -2.72 -0.08 0.21 0.41 0.00 0.00 173.24 171.07 1nqn s ASN 17 N -2.68 2.29 -0.14 2.44 3.84 0.12 -3.31 114.94 117.50 1nqn s ASN 17 Ca 0.67 -0.36 0.02 0.00 0.21 0.00 0.00 52.86 53.40 1nqn s ASN 17 Cb -0.23 -0.87 0.00 0.00 -0.55 0.00 0.00 41.25 39.60 1nqn s ASN 17 CO 0.55 -0.12 -0.19 -0.32 -2.79 0.00 0.00 177.10 174.22 1nqn s MET 18 N 1.69 3.13 -0.18 0.43 -2.45 0.13 0.82 119.30 122.86 1nqn s MET 18 Ca 0.04 -0.81 -0.02 0.00 -1.25 0.00 0.00 55.69 53.66 1nqn s MET 18 Cb -0.13 -2.50 -0.01 0.00 1.25 0.00 0.00 34.83 33.44 1nqn s MET 18 CO -0.08 0.05 -0.08 0.99 1.05 0.00 0.00 175.02 176.94 1nqn s THR 19 N 0.70 3.19 -0.11 10.11 2.01 -0.45 0.25 115.64 131.35 1nqn s THR 19 Ca -0.09 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.36 1nqn s THR 19 Cb -0.16 -2.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 1nqn s THR 19 CO 0.01 0.47 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.59 1nqn s ILE 20 N 1.00 2.50 0.00 1.82 1.01 0.19 -0.99 121.20 126.73 1nqn s ILE 20 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.77 1nqn s ILE 20 Cb -0.15 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.33 1nqn s ILE 20 CO -0.01 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.09 1nqn n GLY 21 N 3.41 -1.59 3.76 6.18 0.00 0.09 -1.53 105.19 115.51 1nqn n GLY 21 Ca -0.18 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 1nqn n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqn s ALA 22 N -3.62 2.86 -0.23 4.61 0.00 -1.26 -4.37 121.76 119.76 1nqn s ALA 22 Ca 0.00 1.09 -0.13 0.00 0.00 0.00 0.00 51.96 52.93 1nqn s ALA 22 Cb 0.00 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1nqn s ALA 22 CO 0.00 -0.99 0.27 0.54 0.00 0.00 0.00 175.76 175.57 1nqn s VAL 23 N -1.46 5.28 0.92 0.00 0.11 -1.26 -4.57 120.40 119.42 1nqn s VAL 23 Ca 0.68 0.41 -0.14 0.00 -2.93 0.00 0.00 61.98 60.01 1nqn s VAL 23 Cb -0.33 -3.60 0.21 0.00 -1.53 0.00 0.00 36.38 31.12 1nqn s VAL 23 CO 0.39 0.30 1.25 -0.46 -3.33 0.00 0.00 175.10 173.25 1nqn n ASN 24 N 4.43 0.30 0.05 3.54 0.23 -0.58 -4.87 115.26 118.37 1nqn n ASN 24 Ca -0.12 -1.58 0.18 0.00 -0.53 0.00 0.00 54.58 52.53 1nqn n ASN 24 Cb 0.52 -0.93 0.69 0.00 -2.08 0.00 0.00 39.78 37.97 1nqn n ASN 24 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1nqn h SER 25 N -1.52 0.00 -0.34 0.53 0.02 -1.98 0.17 113.55 110.43 1nqn h SER 25 Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1nqn h SER 25 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1nqn h SER 25 CO 0.31 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.54 1nqn n ARG 26 N -4.35 1.93 -0.93 3.45 1.74 -1.26 -4.93 116.66 112.31 1nqn n ARG 26 Ca 0.07 -1.43 0.00 0.00 -0.77 0.00 0.00 57.85 55.72 1nqn n ARG 26 Cb 0.51 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 1nqn n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nqn n GLY 27 N 1.18 0.79 3.81 -0.13 0.00 0.05 -4.88 105.19 106.00 1nqn n GLY 27 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1nqn n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nqn s GLU 28 N -0.07 4.35 0.13 1.61 2.02 -1.26 -0.39 118.70 125.09 1nqn s GLU 28 Ca 0.00 1.14 -0.16 0.00 0.02 0.00 0.00 54.97 55.97 1nqn s GLU 28 Cb 0.00 -2.48 0.03 0.00 0.10 0.00 0.00 34.13 31.78 1nqn s GLU 28 CO 0.00 0.13 0.41 -0.59 0.02 0.00 0.00 175.26 175.24 1nqn s PHE 29 N -1.91 -0.19 0.32 1.61 -0.12 -0.83 -1.52 117.98 115.34 1nqn s PHE 29 Ca 0.56 -0.12 0.03 0.00 -0.05 0.00 0.00 56.93 57.34 1nqn s PHE 29 Cb -0.13 0.27 -0.05 0.00 -0.63 0.00 0.00 43.02 42.48 1nqn s PHE 29 CO 0.18 -0.72 0.10 0.95 -0.05 0.00 0.00 175.22 175.68 1nqn s THR 30 N -3.81 0.75 -0.34 -4.49 -4.23 -1.26 -1.80 115.64 100.46 1nqn s THR 30 Ca 0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1nqn s THR 30 Cb 0.02 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1nqn s THR 30 CO -0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1nqn n GLY 31 N -0.67 -0.90 3.02 3.99 0.00 -0.33 -0.73 105.19 109.57 1nqn n GLY 31 Ca -0.02 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 1nqn n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nqn s THR 32 N -3.00 0.27 -0.18 2.61 -4.23 -0.17 -1.54 115.64 109.41 1nqn s THR 32 Ca 0.00 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.49 1nqn s THR 32 Cb 0.00 -0.46 0.03 0.00 1.34 0.00 0.00 72.50 73.41 1nqn s THR 32 CO 0.00 -0.49 -0.15 -0.47 -0.54 0.00 0.00 174.62 172.97 1nqn s TYR 33 N -1.59 2.56 -0.24 3.99 6.14 0.13 -1.34 117.35 127.00 1nqn s TYR 33 Ca -0.12 -1.57 -0.06 0.00 0.64 0.00 0.00 57.07 55.95 1nqn s TYR 33 Cb -0.09 -1.76 -0.02 0.00 0.42 0.00 0.00 41.96 40.52 1nqn s TYR 33 CO -0.01 -0.76 0.04 0.99 0.64 0.00 0.00 175.55 176.45 1nqn s THR 34 N 1.36 3.98 0.11 4.34 2.01 0.24 -1.39 115.64 126.30 1nqn s THR 34 Ca 0.02 -0.32 0.04 0.00 0.31 0.00 0.00 61.69 61.74 1nqn s THR 34 Cb -0.14 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 1nqn s THR 34 CO -0.10 0.34 -0.10 0.42 -0.69 0.00 0.00 174.62 174.49 1nqn s THR 35 N 1.56 1.00 0.44 -0.82 -4.23 -0.61 0.13 115.64 113.12 1nqn s THR 35 Ca 0.06 -1.79 -0.01 0.00 -1.18 0.00 0.00 61.69 58.76 1nqn s THR 35 Cb -0.15 -1.54 -0.02 0.00 1.34 0.00 0.00 72.50 72.14 1nqn s THR 35 CO 0.01 -0.64 0.68 0.00 -0.54 0.00 0.00 174.62 174.14 1nqn s ALA 36 N -2.80 3.62 0.00 3.99 0.00 -1.26 -0.42 121.76 124.90 1nqn s ALA 36 Ca 0.09 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1nqn s ALA 36 Cb -0.01 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.85 1nqn s ALA 36 CO -0.00 -0.32 0.00 0.28 0.00 0.00 0.00 175.76 175.72 1nqn n VAL 37 N -2.08 0.00 0.00 0.00 0.31 -1.26 -4.91 118.33 110.39 1nqn n VAL 37 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1nqn n VAL 37 Cb 0.57 0.74 0.00 0.00 -0.91 0.00 0.00 33.84 34.23 1nqn n VAL 37 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1nqn n ASN 42 N 0.00 0.00 -4.54 4.52 0.23 -1.26 -5.08 115.26 109.13 1nqn n ASN 42 Ca 0.00 0.00 -0.24 0.00 -0.53 0.00 0.00 54.58 53.81 1nqn n ASN 42 Cb 0.05 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.64 1nqn n ASN 42 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1nqn n GLU 43 N 1.93 0.46 -4.32 -3.83 -0.58 -1.26 -4.94 120.64 108.10 1nqn n GLU 43 Ca 0.00 -0.35 -0.23 0.00 -0.42 0.00 0.00 57.16 56.16 1nqn n GLU 43 Cb 0.00 -2.72 -0.12 0.00 -0.57 0.00 0.00 31.44 28.03 1nqn n GLU 43 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1nqn s ILE 44 N 10.04 1.84 0.01 -3.67 1.01 -1.26 -4.37 121.20 124.79 1nqn s ILE 44 Ca 1.09 -1.77 -0.01 0.00 0.00 0.00 0.00 60.65 59.96 1nqn s ILE 44 Cb -0.46 -1.76 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 1nqn s ILE 44 CO 0.29 -0.18 0.00 -0.54 0.00 0.00 0.00 174.94 174.51 1nqn s LYS 45 N -2.41 0.20 -0.05 2.79 1.02 0.44 -4.98 119.74 116.76 1nqn s LYS 45 Ca 0.12 -0.33 0.02 0.00 0.02 0.00 0.00 55.97 55.80 1nqn s LYS 45 Cb -0.08 0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.28 1nqn s LYS 45 CO 0.06 -0.03 -0.09 -1.83 -0.92 0.00 0.00 175.35 172.53 1nqn s GLU 46 N -0.84 2.65 0.04 1.68 -1.05 -1.26 -1.57 118.70 118.34 1nqn s GLU 46 Ca -0.09 -0.62 0.04 0.00 -0.15 0.00 0.00 54.97 54.15 1nqn s GLU 46 Cb -0.06 -2.52 -0.02 0.00 -0.44 0.00 0.00 34.13 31.10 1nqn s GLU 46 CO -0.00 0.64 -0.11 -1.12 0.95 0.00 0.00 175.26 175.62 1nqn s SER 47 N -0.87 1.31 0.59 0.83 0.01 -0.48 -4.68 113.70 110.41 1nqn s SER 47 Ca 0.13 -0.44 -0.13 0.00 1.31 0.00 0.00 55.95 56.81 1nqn s SER 47 Cb -0.11 -0.06 -0.05 0.00 0.21 0.00 0.00 66.02 66.02 1nqn s SER 47 CO 0.02 -0.03 1.02 -2.16 0.41 0.00 0.00 173.24 172.50 1nqn s PRO 48 N -1.16 3.61 0.02 12.44 0.04 -1.26 0.19 135.00 148.88 1nqn s PRO 48 Ca -0.02 0.89 -0.03 0.00 0.04 0.00 0.00 61.00 61.88 1nqn s PRO 48 Cb -0.08 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1nqn s PRO 48 CO 0.01 -0.56 0.04 -0.48 0.04 0.00 0.00 177.00 176.05 1nqn s LEU 49 N -4.79 1.97 -0.06 -3.56 0.05 -0.59 -2.13 118.68 109.57 1nqn s LEU 49 Ca 0.57 -0.43 -0.22 0.00 0.05 0.00 0.00 54.13 54.11 1nqn s LEU 49 Cb -0.11 0.35 0.05 0.00 -2.05 0.00 0.00 46.19 44.42 1nqn s LEU 49 CO 0.45 -0.36 0.50 -1.38 -0.55 0.00 0.00 176.35 175.01 1nqn s HIS 50 N -1.67 -0.45 0.00 3.48 -3.43 -0.88 -1.18 115.29 111.17 1nqn s HIS 50 Ca -0.13 0.82 0.00 0.00 -0.80 0.00 0.00 55.06 54.95 1nqn s HIS 50 Cb -0.07 0.24 0.00 0.00 -1.43 0.00 0.00 32.58 31.32 1nqn s HIS 50 CO -0.01 -0.46 0.00 0.41 -2.00 0.00 0.00 174.74 172.68 1nqn n GLY 51 N 1.40 2.22 3.19 -1.38 0.00 -0.74 -1.40 105.19 108.48 1nqn n GLY 51 Ca -0.19 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 1nqn n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nqn s THR 52 N -1.65 0.13 -0.10 2.61 -4.23 0.02 -1.96 115.64 110.46 1nqn s THR 52 Ca 0.00 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.49 1nqn s THR 52 Cb 0.00 -1.11 -0.02 0.00 1.34 0.00 0.00 72.50 72.71 1nqn s THR 52 CO 0.00 -0.57 -0.13 -0.70 -0.54 0.00 0.00 174.62 172.68 1nqn s GLU 53 N -3.16 3.05 0.17 3.99 2.12 0.48 -1.39 118.70 123.97 1nqn s GLU 53 Ca -0.00 -0.67 -0.30 0.00 0.36 0.00 0.00 54.97 54.35 1nqn s GLU 53 Cb 0.02 -2.55 -0.08 0.00 0.26 0.00 0.00 34.13 31.78 1nqn s GLU 53 CO -0.07 0.39 1.18 1.21 -0.54 0.00 0.00 175.26 177.43 1nqn s ASN 54 N -0.10 7.11 0.00 -1.70 3.84 0.14 -4.65 114.94 119.58 1nqn s ASN 54 Ca -0.01 2.19 0.05 0.00 0.21 0.00 0.00 52.86 55.30 1nqn s ASN 54 Cb -0.14 -2.60 0.10 0.00 -0.55 0.00 0.00 41.25 38.06 1nqn s ASN 54 CO 0.04 -0.36 0.90 0.35 -2.79 0.00 0.00 177.10 175.24 1nqn n THR 55 N 2.61 0.50 -0.33 -5.21 -2.24 -1.26 -4.59 114.28 103.76 1nqn n THR 55 Ca 0.04 -0.75 0.25 0.00 -2.27 0.00 0.00 64.05 61.33 1nqn n THR 55 Cb 0.45 0.81 0.48 0.00 -2.10 0.00 0.00 70.33 69.97 1nqn n THR 55 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1nqn h ILE 56 N 1.04 0.08 -0.21 2.28 1.08 -2.00 -2.13 117.51 117.65 1nqn h ILE 56 Ca 0.00 -0.02 -0.21 0.00 -0.39 0.00 0.00 64.86 64.24 1nqn h ILE 56 Cb 0.42 -0.00 -0.33 0.00 -3.07 0.00 0.00 36.82 33.84 1nqn h ILE 56 CO 0.00 0.01 -0.94 0.59 -0.69 0.00 0.00 178.15 177.12 1nqn n ASN 57 N -5.27 1.73 -4.28 1.72 3.02 -1.26 -4.98 115.26 105.93 1nqn n ASN 57 Ca 0.33 -2.54 -0.34 0.00 -0.03 0.00 0.00 54.58 52.00 1nqn n ASN 57 Cb 1.08 -0.40 -0.08 0.00 -0.61 0.00 0.00 39.78 39.77 1nqn n ASN 57 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1nqn n LYS 58 N -0.23 -0.82 -2.12 3.52 5.02 -0.80 -4.83 118.16 117.90 1nqn n LYS 58 Ca 0.13 0.08 -0.36 0.00 -2.02 0.00 0.00 58.31 56.14 1nqn n LYS 58 Cb 0.95 -3.40 0.02 0.00 -0.02 0.00 0.00 35.03 32.58 1nqn n LYS 58 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1nqn s ARG 59 N -7.41 3.18 0.45 1.97 1.81 -1.26 -4.90 118.95 112.78 1nqn s ARG 59 Ca 0.08 1.76 0.28 0.00 -1.72 0.00 0.00 55.73 56.13 1nqn s ARG 59 Cb -0.04 -2.00 0.94 0.00 -0.45 0.00 0.00 34.95 33.39 1nqn s ARG 59 CO 1.00 -1.02 1.81 1.79 -0.68 0.00 0.00 175.30 178.20 1nqn h THR 60 N 1.10 0.00 -2.56 0.02 1.35 -1.90 -3.34 112.91 107.58 1nqn h THR 60 Ca -0.50 -0.63 -0.60 0.00 -0.55 0.00 0.00 66.41 64.13 1nqn h THR 60 Cb 1.28 1.59 -0.40 0.00 -1.73 0.00 0.00 68.15 68.89 1nqn h THR 60 CO 0.56 0.00 -0.77 0.00 -0.25 0.00 0.00 175.52 175.07 1nqn n GLN 61 N -2.91 1.33 -1.84 4.72 6.02 -1.26 -1.12 117.38 122.33 1nqn n GLN 61 Ca 0.02 -3.97 -0.32 0.00 -0.01 0.00 0.00 57.00 52.72 1nqn n GLN 61 Cb 0.38 -1.96 0.03 0.00 1.02 0.00 0.00 30.24 29.71 1nqn n GLN 61 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1nqn s PRO 62 N -1.17 3.09 0.55 -1.09 0.04 -1.25 -4.54 135.00 130.63 1nqn s PRO 62 Ca 0.31 1.16 -0.07 0.00 0.04 0.00 0.00 61.00 62.45 1nqn s PRO 62 Cb 0.05 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 1nqn s PRO 62 CO -0.14 -0.99 0.88 0.95 0.04 0.00 0.00 177.00 177.73 1nqn s THR 63 N -2.62 4.31 0.27 1.26 -4.23 -1.26 -1.44 115.64 111.93 1nqn s THR 63 Ca 0.62 0.22 -0.21 0.00 -1.18 0.00 0.00 61.69 61.15 1nqn s THR 63 Cb -0.16 -3.68 0.04 0.00 1.34 0.00 0.00 72.50 70.04 1nqn s THR 63 CO 0.43 -0.72 0.80 0.72 -0.54 0.00 0.00 174.62 175.31 1nqn s PHE 64 N -2.93 -0.10 0.04 3.99 -0.12 -0.30 -0.68 117.98 117.88 1nqn s PHE 64 Ca 0.51 -0.36 -0.23 0.00 -0.05 0.00 0.00 56.93 56.80 1nqn s PHE 64 Cb -0.11 0.72 0.06 0.00 -0.63 0.00 0.00 43.02 43.06 1nqn s PHE 64 CO 0.46 -1.19 0.54 0.20 -0.05 0.00 0.00 175.22 175.18 1nqn s GLY 65 N -2.98 -0.46 0.17 1.99 0.00 -0.48 -1.69 107.32 103.87 1nqn s GLY 65 Ca 0.13 0.68 -0.17 0.00 0.00 0.00 0.00 44.72 45.36 1nqn s GLY 65 CO 0.07 0.37 0.48 -0.11 0.00 0.00 0.00 173.10 173.91 1nqn s PHE 66 N -2.35 -0.13 -0.08 1.90 -0.12 -0.50 -0.80 117.98 115.91 1nqn s PHE 66 Ca -0.06 -0.20 0.05 0.00 -0.05 0.00 0.00 56.93 56.67 1nqn s PHE 66 Cb -0.01 0.34 -0.01 0.00 -0.63 0.00 0.00 43.02 42.71 1nqn s PHE 66 CO -0.01 -0.84 -0.22 0.99 -0.05 0.00 0.00 175.22 175.08 1nqn s THR 67 N -3.86 2.26 -0.21 -4.49 2.01 -0.49 -1.20 115.64 109.67 1nqn s THR 67 Ca 0.08 -0.98 -0.06 0.00 0.31 0.00 0.00 61.69 61.04 1nqn s THR 67 Cb 0.00 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 1nqn s THR 67 CO -0.06 0.56 0.02 -0.69 -0.69 0.00 0.00 174.62 173.77 1nqn s VAL 68 N -0.02 4.11 -0.98 3.82 1.01 -0.00 -2.07 120.40 126.27 1nqn s VAL 68 Ca -0.07 -0.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 1nqn s VAL 68 Cb -0.15 -2.87 0.25 0.00 0.00 0.00 0.00 36.38 33.61 1nqn s VAL 68 CO 0.05 0.42 0.94 0.21 0.00 0.00 0.00 175.10 176.72 1nqn s ASN 69 N 1.01 6.97 0.17 3.32 3.04 -0.91 -2.83 114.94 125.72 1nqn s ASN 69 Ca 0.02 -3.25 -0.33 0.00 0.04 0.00 0.00 52.86 49.33 1nqn s ASN 69 Cb -0.14 -2.18 -0.14 0.00 -1.54 0.00 0.00 41.25 37.24 1nqn s ASN 69 CO 0.02 -0.39 1.43 0.79 -3.04 0.00 0.00 177.10 175.91 1nqn n TRP 70 N 3.16 1.98 0.31 0.43 7.02 -1.26 -4.16 117.44 124.92 1nqn n TRP 70 Ca 0.20 0.44 0.12 0.00 -1.02 0.00 0.00 57.50 57.23 1nqn n TRP 70 Cb 0.42 -2.45 0.08 0.00 -2.42 0.00 0.00 31.31 26.94 1nqn n TRP 70 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1nqn h LYS 71 N 4.83 0.00 -0.36 -0.99 6.56 -1.93 -3.36 116.57 121.32 1nqn h LYS 71 Ca -0.45 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 1nqn h LYS 71 Cb 1.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.95 1nqn h LYS 71 CO 0.80 0.00 0.00 1.97 -2.06 0.00 0.00 179.45 180.16 1nqn n PHE 72 N -2.46 1.09 -3.47 -1.35 -1.74 -1.26 -5.00 117.46 103.27 1nqn n PHE 72 Ca 0.02 -0.77 -0.12 0.00 -0.56 0.00 0.00 57.45 56.02 1nqn n PHE 72 Cb 0.50 -0.29 -0.03 0.00 1.52 0.00 0.00 39.48 41.18 1nqn n PHE 72 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1nqn s SER 73 N -1.51 -0.51 0.00 5.98 0.15 -1.26 -5.03 113.70 111.53 1nqn s SER 73 Ca 0.42 -0.03 0.30 0.00 0.70 0.00 0.00 55.95 57.34 1nqn s SER 73 Cb 0.32 0.57 1.47 0.00 -1.71 0.00 0.00 66.02 66.67 1nqn s SER 73 CO 0.13 -0.93 1.98 -0.62 1.20 0.00 0.00 173.24 175.00 1nqn n GLU 74 N -0.29 1.28 -1.94 5.44 1.02 -1.26 -4.73 120.64 120.15 1nqn n GLU 74 Ca -0.17 -0.45 -0.29 0.00 -0.02 0.00 0.00 57.16 56.23 1nqn n GLU 74 Cb 0.64 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.63 1nqn n GLU 74 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1nqn s SER 75 N -2.04 5.21 -0.01 1.62 0.01 -1.26 -4.55 113.70 112.69 1nqn s SER 75 Ca 0.42 0.99 0.01 0.00 1.31 0.00 0.00 55.95 58.68 1nqn s SER 75 Cb 0.21 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.72 1nqn s SER 75 CO 0.36 -1.47 -0.03 -0.89 0.41 0.00 0.00 173.24 171.62 1nqn s THR 76 N -3.38 0.29 -0.04 1.44 2.01 -0.75 -4.05 115.64 111.16 1nqn s THR 76 Ca 0.59 -0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.51 1nqn s THR 76 Cb -0.11 -0.26 -0.01 0.00 0.01 0.00 0.00 72.50 72.12 1nqn s THR 76 CO 0.50 0.09 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.41 1nqn s THR 77 N 0.04 1.82 0.04 -0.82 2.01 -1.13 -0.15 115.64 117.44 1nqn s THR 77 Ca 0.00 -0.96 0.08 0.00 0.31 0.00 0.00 61.69 61.12 1nqn s THR 77 Cb -0.03 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 1nqn s THR 77 CO -0.00 0.51 -0.23 0.68 -0.69 0.00 0.00 174.62 174.89 1nqn s VAL 78 N -0.31 2.39 0.01 3.82 -7.23 -0.26 -0.82 120.40 118.00 1nqn s VAL 78 Ca 0.02 -1.28 0.06 0.00 -1.81 0.00 0.00 61.98 58.98 1nqn s VAL 78 Cb -0.11 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 1nqn s VAL 78 CO 0.01 0.38 -0.18 -0.36 -0.31 0.00 0.00 175.10 174.64 1nqn s PHE 79 N -0.83 1.62 -0.01 2.82 0.40 -0.34 -1.15 117.98 120.49 1nqn s PHE 79 Ca 0.13 -0.33 -0.06 0.00 -0.60 0.00 0.00 56.93 56.07 1nqn s PHE 79 Cb -0.10 -1.00 0.00 0.00 0.51 0.00 0.00 43.02 42.43 1nqn s PHE 79 CO 0.03 0.02 0.12 -0.08 0.70 0.00 0.00 175.22 176.01 1nqn s THR 80 N -0.61 0.06 0.00 0.64 -1.32 -0.46 -1.41 115.64 112.54 1nqn s THR 80 Ca 0.06 -0.49 0.00 0.00 -1.21 0.00 0.00 61.69 60.06 1nqn s THR 80 Cb -0.08 -0.33 0.00 0.00 -1.51 0.00 0.00 72.50 70.58 1nqn s THR 80 CO 0.00 -0.27 0.00 0.61 -2.21 0.00 0.00 174.62 172.76 1nqn n GLY 81 N 1.99 0.95 3.06 6.08 0.00 -0.68 -1.42 105.19 115.17 1nqn n GLY 81 Ca -0.19 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 1nqn n GLY 81 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nqn s GLN 82 N -0.06 0.78 -0.53 1.61 0.74 -0.96 -1.15 119.66 120.09 1nqn s GLN 82 Ca 0.00 -0.50 -0.20 0.00 0.05 0.00 0.00 55.36 54.71 1nqn s GLN 82 Cb 0.00 -0.74 0.06 0.00 1.10 0.00 0.00 33.01 33.43 1nqn s GLN 82 CO 0.00 0.19 0.70 0.00 -0.55 0.00 0.00 175.29 175.63 1nqn s PHE 84 N 2.89 3.19 -0.39 0.00 0.08 0.05 -3.88 117.98 119.92 1nqn s PHE 84 Ca 0.17 -0.03 -0.14 0.00 0.12 0.00 0.00 56.93 57.05 1nqn s PHE 84 Cb -0.19 -1.50 0.01 0.00 -0.57 0.00 0.00 43.02 40.77 1nqn s PHE 84 CO 0.12 0.52 0.28 0.42 -0.10 0.00 0.00 175.22 176.45 1nqn s ILE 85 N -1.87 5.25 0.92 0.64 -1.09 -1.26 -1.09 121.20 122.70 1nqn s ILE 85 Ca 0.32 -0.51 -0.12 0.00 -2.23 0.00 0.00 60.65 58.11 1nqn s ILE 85 Cb -0.09 -3.84 0.14 0.00 -1.58 0.00 0.00 42.46 37.08 1nqn s ILE 85 CO 0.25 -0.20 1.10 -0.62 -1.23 0.00 0.00 174.94 174.24 1nqn s ASP 86 N 1.69 3.37 0.53 3.58 -1.08 0.08 -4.88 116.67 119.96 1nqn s ASP 86 Ca 0.05 1.22 0.20 0.00 -0.52 0.00 0.00 52.55 53.49 1nqn s ASP 86 Cb -0.18 -1.87 1.37 0.00 -1.46 0.00 0.00 42.92 40.77 1nqn s ASP 86 CO 0.10 -2.67 2.13 0.03 0.52 0.00 0.00 175.17 175.29 1nqn h ARG 87 N -1.57 0.00 -0.17 4.34 3.08 -1.98 -0.35 114.38 117.73 1nqn h ARG 87 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1nqn h ARG 87 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1nqn h ARG 87 CO 0.58 0.00 0.00 0.27 -1.07 0.00 0.00 179.97 179.75 1nqn n ASN 88 N -4.40 1.16 0.00 7.04 0.23 -1.26 -4.90 115.26 113.13 1nqn n ASN 88 Ca -0.01 -1.79 0.00 0.00 -0.53 0.00 0.00 54.58 52.25 1nqn n ASN 88 Cb 0.18 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 1nqn n ASN 88 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nqn n GLY 89 N 0.95 1.54 3.87 4.83 0.00 -0.14 -5.05 105.19 111.19 1nqn n GLY 89 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1nqn n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nqn s LYS 90 N -0.31 3.81 0.27 1.61 -2.85 -1.26 -4.74 119.74 116.27 1nqn s LYS 90 Ca 0.00 0.32 -0.29 0.00 -1.00 0.00 0.00 55.97 54.99 1nqn s LYS 90 Cb 0.00 -2.60 -0.09 0.00 -2.06 0.00 0.00 37.83 33.07 1nqn s LYS 90 CO 0.00 0.27 1.02 -1.21 0.10 0.00 0.00 175.35 175.53 1nqn s GLU 91 N -2.96 4.73 -0.05 1.78 2.02 -1.26 -0.74 118.70 122.22 1nqn s GLU 91 Ca 0.48 1.63 -0.07 0.00 0.02 0.00 0.00 54.97 57.03 1nqn s GLU 91 Cb -0.11 -3.20 0.01 0.00 0.10 0.00 0.00 34.13 30.94 1nqn s GLU 91 CO 0.22 0.35 0.18 0.14 0.02 0.00 0.00 175.26 176.17 1nqn s VAL 92 N -1.20 0.03 -0.32 2.63 -7.23 -0.25 -4.36 120.40 109.69 1nqn s VAL 92 Ca 0.43 -0.21 -0.08 0.00 -1.81 0.00 0.00 61.98 60.31 1nqn s VAL 92 Cb -0.28 -0.33 0.01 0.00 0.56 0.00 0.00 36.38 36.33 1nqn s VAL 92 CO 0.36 -0.12 0.13 -0.76 -0.31 0.00 0.00 175.10 174.40 1nqn s LEU 93 N -0.37 4.16 -0.38 1.32 1.43 -0.21 -0.77 118.68 123.86 1nqn s LEU 93 Ca -0.05 -0.78 -0.17 0.00 -1.03 0.00 0.00 54.13 52.11 1nqn s LEU 93 Cb -0.03 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1nqn s LEU 93 CO 0.01 -0.25 0.44 -0.54 0.23 0.00 0.00 176.35 176.24 1nqn s LYS 94 N 1.53 3.40 0.18 1.70 -0.14 -0.93 -1.48 119.74 124.00 1nqn s LYS 94 Ca 0.02 -0.47 0.06 0.00 -1.36 0.00 0.00 55.97 54.23 1nqn s LYS 94 Cb -0.18 -3.87 -0.05 0.00 -1.68 0.00 0.00 37.83 32.06 1nqn s LYS 94 CO 0.04 -0.69 -0.12 0.95 -0.76 0.00 0.00 175.35 174.77 1nqn s THR 95 N 2.20 1.46 0.07 2.17 -4.23 -0.26 -2.26 115.64 114.78 1nqn s THR 95 Ca 0.14 -2.14 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 1nqn s THR 95 Cb -0.16 -1.98 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 1nqn s THR 95 CO 0.13 -0.65 -0.15 -0.04 -0.54 0.00 0.00 174.62 173.37 1nqn s MET 96 N -3.70 0.90 0.14 3.99 -1.94 -0.51 -1.50 119.30 116.67 1nqn s MET 96 Ca 0.20 -0.95 0.02 0.00 -1.71 0.00 0.00 55.69 53.25 1nqn s MET 96 Cb 0.01 -0.94 -0.04 0.00 2.01 0.00 0.00 34.83 35.86 1nqn s MET 96 CO 0.04 0.22 -0.03 1.67 -0.01 0.00 0.00 175.02 176.91 1nqn s TRP 97 N -1.17 1.07 -0.08 -0.03 1.48 0.20 -1.36 118.94 119.04 1nqn s TRP 97 Ca 0.00 -0.98 0.02 0.00 -1.06 0.00 0.00 56.10 54.08 1nqn s TRP 97 Cb -0.10 -0.61 0.01 0.00 -1.16 0.00 0.00 33.47 31.62 1nqn s TRP 97 CO 0.02 -0.19 -0.14 -0.51 -4.06 0.00 0.00 176.95 172.07 1nqn s LEU 98 N -3.11 1.68 -0.26 -4.66 1.43 -0.30 -2.40 118.68 111.06 1nqn s LEU 98 Ca 0.19 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.89 1nqn s LEU 98 Cb 0.06 -0.96 0.01 0.00 0.03 0.00 0.00 46.19 45.33 1nqn s LEU 98 CO 0.00 0.03 -0.00 -0.22 0.23 0.00 0.00 176.35 176.39 1nqn s LEU 99 N 0.79 3.41 -0.23 1.79 2.96 0.08 -1.10 118.68 126.37 1nqn s LEU 99 Ca -0.12 -0.73 -0.10 0.00 -0.22 0.00 0.00 54.13 52.96 1nqn s LEU 99 Cb -0.16 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 1nqn s LEU 99 CO 0.02 -0.14 0.15 -0.60 -1.32 0.00 0.00 176.35 174.47 1nqn s ARG 100 N 1.42 4.10 0.23 1.98 6.06 0.79 -1.09 118.95 132.43 1nqn s ARG 100 Ca 0.02 -0.26 0.00 0.00 -2.50 0.00 0.00 55.73 52.99 1nqn s ARG 100 Cb -0.16 -3.51 -0.04 0.00 0.06 0.00 0.00 34.95 31.30 1nqn s ARG 100 CO -0.02 0.12 0.41 -1.12 -2.50 0.00 0.00 175.30 172.20 1nqn s SER 101 N 0.88 6.36 -0.04 -2.12 0.01 0.55 -1.82 113.70 117.52 1nqn s SER 101 Ca 0.08 0.36 -0.25 0.00 1.31 0.00 0.00 55.95 57.44 1nqn s SER 101 Cb -0.13 -1.99 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 1nqn s SER 101 CO 0.03 -0.09 0.77 -0.55 0.41 0.00 0.00 173.24 173.81 1nqn s SER 102 N -3.44 7.09 0.19 2.44 0.15 -1.26 -4.89 113.70 113.98 1nqn s SER 102 Ca 0.38 1.32 0.09 0.00 0.70 0.00 0.00 55.95 58.44 1nqn s SER 102 Cb -0.10 -2.45 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 1nqn s SER 102 CO 0.30 -0.14 -0.19 0.68 1.20 0.00 0.00 173.24 175.09 1nqn s VAL 103 N 0.80 2.00 -0.07 4.45 -7.23 -1.26 -5.05 120.40 114.04 1nqn s VAL 103 Ca 0.41 -2.03 0.14 0.00 -1.81 0.00 0.00 61.98 58.69 1nqn s VAL 103 Cb -0.19 -1.98 -0.22 0.00 0.56 0.00 0.00 36.38 34.56 1nqn s VAL 103 CO 0.21 -0.31 0.62 0.59 -0.31 0.00 0.00 175.10 175.90 1nqn n ASN 104 N 0.12 0.77 -4.43 4.85 4.13 -1.26 -4.88 115.26 114.56 1nqn n ASN 104 Ca -0.12 0.36 -0.33 0.00 1.68 0.00 0.00 54.58 56.17 1nqn n ASN 104 Cb 0.57 0.10 -0.13 0.00 -1.54 0.00 0.00 39.78 38.79 1nqn n ASN 104 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1nqn s ASP 105 N -5.96 4.43 0.61 6.41 -1.08 -1.26 -4.97 116.67 114.85 1nqn s ASP 105 Ca -0.05 -0.24 0.29 0.00 -0.52 0.00 0.00 52.55 52.03 1nqn s ASP 105 Cb 0.08 -1.71 1.52 0.00 -1.46 0.00 0.00 42.92 41.35 1nqn s ASP 105 CO 0.82 0.15 1.91 -0.29 0.52 0.00 0.00 175.17 178.28 1nqn h ILE 106 N 5.31 0.26 0.00 4.11 2.10 -2.03 0.36 117.51 127.63 1nqn h ILE 106 Ca -0.30 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.61 1nqn h ILE 106 Cb 1.20 0.64 -0.00 0.00 -1.09 0.00 0.00 36.82 37.56 1nqn h ILE 106 CO 0.60 0.00 -0.13 1.23 -1.08 0.00 0.00 178.15 178.77 1nqn h GLY 107 N 0.00 0.00 -2.58 8.18 0.00 -2.00 -2.58 103.07 104.08 1nqn h GLY 107 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1nqn h GLY 107 CO -0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 1nqn n ASP 108 N -3.42 3.85 -0.24 0.19 8.00 0.13 -4.39 116.55 120.67 1nqn n ASP 108 Ca -0.01 -2.17 -0.00 0.00 0.71 0.00 0.00 54.79 53.32 1nqn n ASP 108 Cb 0.30 -0.49 0.22 0.00 -0.02 0.00 0.00 41.12 41.14 1nqn n ASP 108 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1nqn h ASP 109 N 3.76 0.91 -1.01 -2.24 3.58 -1.52 -3.05 116.42 116.85 1nqn h ASP 109 Ca 0.00 -0.03 0.25 0.00 0.42 0.00 0.00 57.03 57.67 1nqn h ASP 109 Cb 1.07 -0.23 -0.09 0.00 1.72 0.00 0.00 39.33 41.80 1nqn h ASP 109 CO 0.09 0.67 0.65 0.50 -2.88 0.00 0.00 179.24 178.27 1nqn h LYS 110 N 1.07 0.40 -0.42 0.28 1.63 -1.82 -2.19 116.57 115.52 1nqn h LYS 110 Ca 0.29 -0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.93 1nqn h LYS 110 Cb -0.10 -0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 31.36 1nqn h LYS 110 CO -0.06 0.27 0.06 1.63 -3.45 0.00 0.00 179.45 177.90 1nqn n LYS 111 N -4.60 2.68 -0.06 1.90 5.02 -1.15 -4.63 118.16 117.33 1nqn n LYS 111 Ca 0.24 -3.02 0.12 0.00 -2.02 0.00 0.00 58.31 53.63 1nqn n LYS 111 Cb 0.82 -1.93 0.34 0.00 -0.02 0.00 0.00 35.03 34.25 1nqn n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nqn n ALA 112 N -0.68 2.51 -3.98 7.82 0.00 -0.82 -4.88 120.51 120.48 1nqn n ALA 112 Ca 0.31 -0.61 -0.31 0.00 0.00 0.00 0.00 53.44 52.83 1nqn n ALA 112 Cb 1.08 -1.02 -0.16 0.00 0.00 0.00 0.00 19.45 19.34 1nqn n ALA 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1nqn s THR 113 N -1.85 1.84 0.14 0.00 2.01 -1.26 -0.33 115.64 116.19 1nqn s THR 113 Ca 0.34 -0.81 0.04 0.00 0.31 0.00 0.00 61.69 61.57 1nqn s THR 113 Cb 0.20 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 1nqn s THR 113 CO 0.30 0.50 0.14 -0.13 -0.69 0.00 0.00 174.62 174.75 1nqn s ARG 114 N 1.26 2.98 0.06 4.92 0.52 -0.25 -4.93 118.95 123.51 1nqn s ARG 114 Ca 0.02 -0.78 0.04 0.00 -0.52 0.00 0.00 55.73 54.49 1nqn s ARG 114 Cb -0.13 -2.71 -0.03 0.00 0.52 0.00 0.00 34.95 32.59 1nqn s ARG 114 CO -0.10 0.51 -0.11 0.54 0.02 0.00 0.00 175.30 176.16 1nqn s VAL 115 N -1.66 0.85 0.03 3.52 0.11 -1.26 -0.74 120.40 121.25 1nqn s VAL 115 Ca 0.31 -1.23 -0.07 0.00 -2.93 0.00 0.00 61.98 58.07 1nqn s VAL 115 Cb -0.11 -0.88 0.02 0.00 -1.53 0.00 0.00 36.38 33.88 1nqn s VAL 115 CO 0.24 -0.31 0.32 0.61 -3.33 0.00 0.00 175.10 172.63 1nqn n GLY 116 N 1.32 0.87 3.55 6.54 0.00 -1.01 -5.00 105.19 111.47 1nqn n GLY 116 Ca -0.22 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.60 1nqn n GLY 116 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nqn s ILE 117 N -2.30 1.99 -0.21 -0.61 -4.36 -1.26 -0.63 121.20 113.82 1nqn s ILE 117 Ca 0.07 -2.10 -0.10 0.00 -0.26 0.00 0.00 60.65 58.26 1nqn s ILE 117 Cb -0.01 -2.77 0.08 0.00 1.25 0.00 0.00 42.46 41.01 1nqn s ILE 117 CO 0.01 -0.12 0.50 0.20 0.24 0.00 0.00 174.94 175.77 1nqn s ASN 118 N -3.62 -0.62 -0.16 4.36 0.02 -0.56 -4.88 114.94 109.47 1nqn s ASN 118 Ca 0.33 1.12 -0.01 0.00 -1.02 0.00 0.00 52.86 53.29 1nqn s ASN 118 Cb 0.06 1.16 -0.01 0.00 0.02 0.00 0.00 41.25 42.48 1nqn s ASN 118 CO 0.16 -0.21 -0.12 -0.63 0.02 0.00 0.00 177.10 176.32 1nqn s ILE 119 N 1.81 2.92 0.08 0.60 1.01 -1.26 -1.11 121.20 125.25 1nqn s ILE 119 Ca -0.08 -0.68 0.08 0.00 0.00 0.00 0.00 60.65 59.97 1nqn s ILE 119 Cb -0.09 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1nqn s ILE 119 CO -0.15 0.50 -0.18 -0.36 0.00 0.00 0.00 174.94 174.75 1nqn s PHE 120 N 0.84 2.56 0.13 3.97 0.08 -0.55 -4.29 117.98 120.72 1nqn s PHE 120 Ca -0.04 -0.25 0.03 0.00 0.12 0.00 0.00 56.93 56.79 1nqn s PHE 120 Cb -0.15 -1.41 -0.04 0.00 -0.57 0.00 0.00 43.02 40.84 1nqn s PHE 120 CO 0.00 0.32 -0.07 0.95 -0.10 0.00 0.00 175.22 176.32 1nqn s THR 121 N -1.03 0.90 0.27 0.64 -4.23 -0.44 -1.05 115.64 110.70 1nqn s THR 121 Ca 0.16 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.38 1nqn s THR 121 Cb -0.11 -1.82 -0.10 0.00 1.34 0.00 0.00 72.50 71.81 1nqn s THR 121 CO 0.08 -0.76 1.44 -0.13 -0.54 0.00 0.00 174.62 174.71 1nqn s ARG 122 N -3.81 4.26 0.00 3.99 0.52 -1.26 -1.08 118.95 121.57 1nqn s ARG 122 Ca 0.16 2.33 0.12 0.00 -0.52 0.00 0.00 55.73 57.82 1nqn s ARG 122 Cb 0.04 -3.09 0.72 0.00 0.52 0.00 0.00 34.95 33.14 1nqn s ARG 122 CO -0.01 -0.42 1.15 -0.11 0.02 0.00 0.00 175.30 175.93