#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssn n SER 2 N 0.00 0.00 -4.55 6.43 2.88 -1.02 -4.75 113.62 112.60 1ssn n SER 2 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 1ssn n SER 2 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1ssn n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ssn s SER 3 N -0.76 5.44 -0.46 -3.46 1.04 -1.26 -4.58 113.70 109.65 1ssn s SER 3 Ca 0.00 -0.31 -0.45 0.00 0.48 0.00 0.00 55.95 55.67 1ssn s SER 3 Cb 0.00 -2.55 -0.19 0.00 0.10 0.00 0.00 66.02 63.38 1ssn s SER 3 CO 0.00 -2.38 1.78 2.22 0.98 0.00 0.00 173.24 175.85 1ssn n PHE 4 N 12.49 1.65 -0.68 5.02 -1.74 -1.26 -4.84 117.46 128.10 1ssn n PHE 4 Ca 0.27 0.93 -0.29 0.00 -0.56 0.00 0.00 57.45 57.80 1ssn n PHE 4 Cb 0.50 -2.29 0.21 0.00 1.52 0.00 0.00 39.48 39.41 1ssn n PHE 4 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1ssn s ASP 5 N 4.03 1.98 -1.16 5.98 2.15 -1.25 -3.99 116.67 124.42 1ssn s ASP 5 Ca 1.08 1.78 -0.27 0.00 0.43 0.00 0.00 52.55 55.56 1ssn s ASP 5 Cb -1.41 -2.40 0.02 0.00 -0.30 0.00 0.00 42.92 38.84 1ssn s ASP 5 CO 0.74 -3.62 0.72 2.29 -0.17 0.00 0.00 175.17 175.14 1ssn n LYS 6 N -4.55 -0.69 -1.85 4.34 2.85 -1.26 -4.76 118.16 112.24 1ssn n LYS 6 Ca 0.07 0.28 -0.43 0.00 -1.05 0.00 0.00 58.31 57.18 1ssn n LYS 6 Cb 0.53 -3.15 -0.03 0.00 -0.65 0.00 0.00 35.03 31.73 1ssn n LYS 6 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1ssn s GLY 7 N -3.46 0.68 -1.18 2.58 0.00 -1.26 -2.97 107.32 101.71 1ssn s GLY 7 Ca 0.46 0.44 -0.02 0.00 0.00 0.00 0.00 44.72 45.60 1ssn s GLY 7 CO 0.92 3.47 0.92 0.28 0.00 0.00 0.00 173.10 178.69 1ssn n LYS 8 N 8.56 -4.96 -3.42 2.90 5.02 -1.26 -4.98 118.16 120.02 1ssn n LYS 8 Ca 0.25 0.80 -0.26 0.00 -2.02 0.00 0.00 58.31 57.08 1ssn n LYS 8 Cb 0.46 -5.66 -0.08 0.00 -0.02 0.00 0.00 35.03 29.73 1ssn n LYS 8 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1ssn n TYR 9 N -3.93 2.04 -2.07 2.13 9.36 -1.16 -4.97 117.16 118.56 1ssn n TYR 9 Ca -0.23 -3.93 -0.42 0.00 3.32 0.00 0.00 57.90 56.64 1ssn n TYR 9 Cb 0.66 -0.44 -0.00 0.00 -0.63 0.00 0.00 39.34 38.93 1ssn n TYR 9 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1ssn n LYS 10 N 1.33 3.73 0.00 2.98 0.00 -0.93 -4.71 118.16 120.56 1ssn n LYS 10 Ca 0.26 -3.25 0.00 0.00 -0.00 0.00 0.00 58.31 55.32 1ssn n LYS 10 Cb 0.44 -2.90 0.00 0.00 -0.00 0.00 0.00 35.03 32.57 1ssn n LYS 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1ssn n LYS 11 N 3.70 0.00 -2.77 -1.58 4.01 -1.26 -1.74 118.16 118.51 1ssn n LYS 11 Ca 0.50 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 58.20 1ssn n LYS 11 Cb 0.33 0.00 0.05 0.00 -0.51 0.00 0.00 35.03 34.90 1ssn n LYS 11 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ssn n GLY 12 N 0.00 1.76 2.45 0.72 0.00 -1.26 -5.02 105.19 103.84 1ssn n GLY 12 Ca 0.00 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 1ssn n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ssn n ASP 13 N -0.09 1.17 -2.69 1.61 8.00 -0.71 -4.86 116.55 118.97 1ssn n ASP 13 Ca 0.09 -2.82 -0.04 0.00 0.71 0.00 0.00 54.79 52.72 1ssn n ASP 13 Cb 0.79 -0.64 0.12 0.00 -0.02 0.00 0.00 41.12 41.36 1ssn n ASP 13 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1ssn n ASP 14 N 1.92 -1.34 -4.55 -2.24 5.75 -1.26 -4.74 116.55 110.09 1ssn n ASP 14 Ca 0.25 -2.33 -0.36 0.00 -0.01 0.00 0.00 54.79 52.34 1ssn n ASP 14 Cb 0.45 0.70 -0.04 0.00 -1.03 0.00 0.00 41.12 41.21 1ssn n ASP 14 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ssn s ALA 15 N -0.22 2.29 0.14 2.12 0.00 -1.26 -4.89 121.76 119.94 1ssn s ALA 15 Ca 0.16 -1.41 -0.20 0.00 0.00 0.00 0.00 51.96 50.51 1ssn s ALA 15 Cb 0.42 -4.41 0.02 0.00 0.00 0.00 0.00 23.12 19.14 1ssn s ALA 15 CO -0.10 -3.95 1.67 1.03 0.00 0.00 0.00 175.76 174.41 1ssn h SER 16 N 11.68 -0.44 -0.52 0.00 0.87 -1.98 -3.35 113.55 119.82 1ssn h SER 16 Ca -0.06 0.10 -0.30 0.00 -1.23 0.00 0.00 61.79 60.30 1ssn h SER 16 Cb 1.06 0.23 -0.22 0.00 -0.44 0.00 0.00 62.40 63.03 1ssn h SER 16 CO 1.28 -0.17 -0.65 0.00 -0.53 0.00 0.00 176.83 176.76 1ssn n TYR 17 N -5.29 -1.86 -3.20 2.24 4.11 -1.26 -4.84 117.16 107.05 1ssn n TYR 17 Ca -0.01 -2.52 -0.24 0.00 -0.00 0.00 0.00 57.90 55.13 1ssn n TYR 17 Cb 0.21 1.04 -0.07 0.00 -0.00 0.00 0.00 39.34 40.52 1ssn n TYR 17 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05 1ssn n PHE 18 N 0.16 -0.04 -0.86 -3.48 3.72 -1.26 -4.74 117.46 110.95 1ssn n PHE 18 Ca 0.09 -3.62 0.11 0.00 -0.05 0.00 0.00 57.45 53.98 1ssn n PHE 18 Cb 0.72 -0.37 -0.05 0.00 -0.94 0.00 0.00 39.48 38.84 1ssn n PHE 18 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1ssn n GLU 19 N 1.29 -1.95 -1.52 -1.08 1.02 -1.26 -4.57 120.64 112.57 1ssn n GLU 19 Ca 0.22 1.55 -0.42 0.00 -0.02 0.00 0.00 57.16 58.48 1ssn n GLU 19 Cb 0.53 -2.29 -0.06 0.00 -0.02 0.00 0.00 31.44 29.60 1ssn n GLU 19 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1ssn n PRO 20 N -3.47 1.05 0.03 3.49 -0.02 -1.26 -4.55 135.00 130.26 1ssn n PRO 20 Ca -0.04 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1ssn n PRO 20 Cb 0.41 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 1ssn n PRO 20 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ssn n THR 21 N 7.66 0.00 -2.66 3.45 -2.24 -1.26 -5.08 114.28 114.14 1ssn n THR 21 Ca 0.41 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 62.17 1ssn n THR 21 Cb 0.36 -0.42 0.04 0.00 -2.10 0.00 0.00 70.33 68.21 1ssn n THR 21 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ssn s GLY 22 N -4.50 -2.00 1.01 3.38 0.00 -1.26 -5.11 107.32 98.84 1ssn s GLY 22 Ca 0.00 0.84 -0.13 0.00 0.00 0.00 0.00 44.72 45.43 1ssn s GLY 22 CO 0.00 4.43 1.11 2.56 0.00 0.00 0.00 173.10 181.19 1ssn s PRO 23 N 1.09 0.31 0.24 2.90 0.04 -1.26 -4.20 135.00 134.12 1ssn s PRO 23 Ca 0.22 0.38 -0.16 0.00 0.04 0.00 0.00 61.00 61.48 1ssn s PRO 23 Cb 0.14 -1.74 0.01 0.00 0.04 0.00 0.00 34.50 32.96 1ssn s PRO 23 CO -0.12 -2.78 0.54 1.52 0.04 0.00 0.00 177.00 176.20 1ssn s TYR 24 N -3.04 0.09 -0.35 0.56 -0.85 -1.23 -4.44 117.35 108.10 1ssn s TYR 24 Ca 0.66 -0.47 0.02 0.00 -0.52 0.00 0.00 57.07 56.76 1ssn s TYR 24 Cb -0.17 0.37 0.15 0.00 0.38 0.00 0.00 41.96 42.69 1ssn s TYR 24 CO 0.57 -1.02 0.34 -1.17 -1.52 0.00 0.00 175.55 172.75 1ssn s LEU 25 N -2.95 -0.05 -0.78 -3.49 0.20 -0.33 -2.43 118.68 108.85 1ssn s LEU 25 Ca 0.16 -1.37 -0.23 0.00 0.69 0.00 0.00 54.13 53.38 1ssn s LEU 25 Cb -0.02 0.49 0.07 0.00 -0.43 0.00 0.00 46.19 46.30 1ssn s LEU 25 CO 0.05 -0.30 1.14 -0.04 -0.29 0.00 0.00 176.35 176.91 1ssn s MET 26 N 1.69 3.29 -0.98 1.98 -1.94 -1.17 -1.89 119.30 120.28 1ssn s MET 26 Ca 0.15 -0.90 -0.20 0.00 -1.71 0.00 0.00 55.69 53.03 1ssn s MET 26 Cb -0.15 -4.52 0.11 0.00 2.01 0.00 0.00 34.83 32.28 1ssn s MET 26 CO -0.12 -1.95 1.26 0.08 -0.01 0.00 0.00 175.02 174.27 1ssn s VAL 27 N 4.36 4.50 0.33 -6.03 1.01 -1.26 -2.31 120.40 121.00 1ssn s VAL 27 Ca 0.31 -1.42 -0.08 0.00 0.00 0.00 0.00 61.98 60.79 1ssn s VAL 27 Cb -0.10 -4.88 0.01 0.00 0.00 0.00 0.00 36.38 31.41 1ssn s VAL 27 CO 0.05 -1.65 0.54 0.20 0.00 0.00 0.00 175.10 174.24 1ssn s ASN 28 N 3.98 0.49 0.02 3.32 -0.87 -1.23 -4.56 114.94 116.10 1ssn s ASN 28 Ca 0.38 -1.29 0.02 0.00 -1.57 0.00 0.00 52.86 50.40 1ssn s ASN 28 Cb -0.03 0.69 -0.01 0.00 -0.02 0.00 0.00 41.25 41.87 1ssn s ASN 28 CO -0.09 -1.34 -0.06 -0.69 -2.57 0.00 0.00 177.10 172.35 1ssn s VAL 29 N -3.12 0.44 -1.15 1.60 1.01 -1.26 -3.30 120.40 114.61 1ssn s VAL 29 Ca 0.25 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 61.36 1ssn s VAL 29 Cb -0.01 -0.46 0.09 0.00 0.00 0.00 0.00 36.38 36.00 1ssn s VAL 29 CO 0.16 -0.18 1.53 -0.89 0.00 0.00 0.00 175.10 175.71 1ssn s THR 30 N -0.84 4.28 -1.19 3.92 2.01 0.14 -2.57 115.64 121.39 1ssn s THR 30 Ca -0.05 -1.63 -0.19 0.00 0.31 0.00 0.00 61.69 60.13 1ssn s THR 30 Cb -0.06 -5.06 0.09 0.00 0.01 0.00 0.00 72.50 67.47 1ssn s THR 30 CO 0.00 -1.87 1.57 -0.83 -0.69 0.00 0.00 174.62 172.80 1ssn s GLY 31 N 4.17 1.70 0.79 4.40 0.00 -0.82 -3.50 107.32 114.07 1ssn s GLY 31 Ca 0.47 -2.83 -0.11 0.00 0.00 0.00 0.00 44.72 42.25 1ssn s GLY 31 CO -0.01 2.55 1.09 -1.34 0.00 0.00 0.00 173.10 175.40 1ssn s VAL 32 N 3.85 3.13 0.02 1.40 -7.23 -0.98 -1.00 120.40 119.59 1ssn s VAL 32 Ca 0.49 0.37 -0.21 0.00 -1.81 0.00 0.00 61.98 60.82 1ssn s VAL 32 Cb 0.01 -3.11 -0.18 0.00 0.56 0.00 0.00 36.38 33.66 1ssn s VAL 32 CO 0.01 -0.48 1.23 -2.24 -0.31 0.00 0.00 175.10 173.31 1ssn h ASP 33 N -1.07 0.41 0.00 4.85 2.03 -1.74 -1.68 116.42 119.21 1ssn h ASP 33 Ca -0.47 -0.61 0.00 0.00 -0.73 0.00 0.00 57.03 55.23 1ssn h ASP 33 Cb 1.26 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 1ssn h ASP 33 CO 0.59 0.94 0.00 -0.24 -1.03 0.00 0.00 179.24 179.50 1ssn n SER 34 N -4.45 0.00 0.06 4.15 2.88 -1.26 -3.84 113.62 111.17 1ssn n SER 34 Ca -0.08 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.43 1ssn n SER 34 Cb 0.47 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.92 1ssn n SER 34 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1ssn h LYS 35 N 0.00 -0.18 0.00 -1.46 1.57 -2.01 -3.48 116.57 111.00 1ssn h LYS 35 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1ssn h LYS 35 Cb 0.00 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1ssn h LYS 35 CO 0.00 -0.12 0.00 0.41 -0.57 0.00 0.00 179.45 179.17 1ssn n GLY 36 N 0.61 -1.80 2.69 3.86 0.00 -1.26 -5.13 105.19 104.15 1ssn n GLY 36 Ca -0.02 0.69 -0.30 0.00 0.00 0.00 0.00 46.02 46.39 1ssn n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ssn s ASN 37 N 0.00 3.82 0.00 1.61 0.01 -1.26 -4.97 114.94 114.15 1ssn s ASN 37 Ca 0.00 -1.84 -0.30 0.00 -0.71 0.00 0.00 52.86 50.02 1ssn s ASN 37 Cb 0.00 -0.80 -0.08 0.00 0.41 0.00 0.00 41.25 40.78 1ssn s ASN 37 CO 0.00 -0.38 1.88 -0.70 -1.51 0.00 0.00 177.10 176.39 1ssn s GLU 38 N 1.38 4.12 -0.03 -0.60 2.12 -1.26 -2.54 118.70 121.89 1ssn s GLU 38 Ca 0.12 2.47 -0.10 0.00 0.36 0.00 0.00 54.97 57.81 1ssn s GLU 38 Cb -0.19 -4.12 -0.31 0.00 0.26 0.00 0.00 34.13 29.77 1ssn s GLU 38 CO -0.19 -0.96 0.72 -0.07 -0.54 0.00 0.00 175.26 174.22 1ssn h LEU 39 N 10.64 0.62 -7.87 2.70 4.07 -1.39 -3.49 115.31 120.60 1ssn h LEU 39 Ca -0.46 -0.88 -0.16 0.00 0.08 0.00 0.00 57.88 56.45 1ssn h LEU 39 Cb 1.22 -0.20 -0.21 0.00 1.08 0.00 0.00 40.66 42.54 1ssn h LEU 39 CO 0.95 1.74 -0.62 -1.48 -1.08 0.00 0.00 178.44 177.95 1ssn s LEU 40 N -7.29 1.95 0.35 1.67 0.05 -1.24 -4.46 118.68 109.71 1ssn s LEU 40 Ca -0.14 -0.34 -0.07 0.00 0.05 0.00 0.00 54.13 53.63 1ssn s LEU 40 Cb 0.05 0.32 -0.06 0.00 -2.05 0.00 0.00 46.19 44.46 1ssn s LEU 40 CO 0.86 -0.30 0.66 -0.44 -0.55 0.00 0.00 176.35 176.59 1ssn s SER 41 N -1.29 6.46 -0.14 1.48 0.01 -1.26 -1.95 113.70 117.01 1ssn s SER 41 Ca -0.14 0.90 -0.03 0.00 1.31 0.00 0.00 55.95 58.00 1ssn s SER 41 Cb -0.08 -2.23 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 1ssn s SER 41 CO 0.00 -0.31 2.63 -0.81 0.41 0.00 0.00 173.24 175.16 1ssn n PRO 42 N -1.21 1.70 -3.16 12.44 -0.04 -1.06 -4.03 135.00 139.63 1ssn n PRO 42 Ca 0.00 -1.01 0.05 0.00 -0.04 0.00 0.00 63.50 62.50 1ssn n PRO 42 Cb 0.54 -1.62 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 1ssn n PRO 42 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1ssn s HIS 43 N -0.35 -0.18 0.07 0.54 -3.43 -1.26 -4.67 115.29 106.02 1ssn s HIS 43 Ca 0.37 0.21 0.00 0.00 -0.80 0.00 0.00 55.06 54.83 1ssn s HIS 43 Cb 0.21 0.07 0.00 0.00 -1.43 0.00 0.00 32.58 31.43 1ssn s HIS 43 CO -0.04 -0.10 0.00 2.48 -2.00 0.00 0.00 174.74 175.09 1ssn n TYR 44 N 5.37 -2.45 0.01 0.38 0.18 -1.26 -4.14 117.16 115.24 1ssn n TYR 44 Ca -0.09 0.25 -0.06 0.00 1.88 0.00 0.00 57.90 59.88 1ssn n TYR 44 Cb 0.55 0.97 -0.04 0.00 -0.38 0.00 0.00 39.34 40.43 1ssn n TYR 44 CO 0.00 0.00 0.00 -0.24 -2.08 0.00 0.00 176.86 174.54 1ssn h VAL 45 N 0.00 0.49 -2.64 -3.48 3.04 -1.86 -2.47 116.25 109.33 1ssn h VAL 45 Ca 0.00 -1.20 0.13 0.00 -1.01 0.00 0.00 66.70 64.62 1ssn h VAL 45 Cb 0.00 0.88 -0.07 0.00 -2.01 0.00 0.00 31.29 30.09 1ssn h VAL 45 CO 0.00 0.15 -0.82 1.21 -1.01 0.00 0.00 177.57 177.10 1ssn n GLU 46 N -4.84 -2.71 -4.00 4.17 0.00 -1.26 -4.66 120.64 107.34 1ssn n GLU 46 Ca -0.04 2.16 -0.11 0.00 0.00 0.00 0.00 57.16 59.16 1ssn n GLU 46 Cb 0.17 -2.88 -0.12 0.00 0.00 0.00 0.00 31.44 28.61 1ssn n GLU 46 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1ssn s PHE 47 N -4.49 0.34 0.42 4.31 0.40 -0.79 -4.89 117.98 113.27 1ssn s PHE 47 Ca 0.00 -0.37 -0.25 0.00 -0.60 0.00 0.00 56.93 55.71 1ssn s PHE 47 Cb 0.00 -0.22 -0.08 0.00 0.51 0.00 0.00 43.02 43.23 1ssn s PHE 47 CO 0.00 -0.11 1.19 -1.25 0.70 0.00 0.00 175.22 175.75 1ssn s PRO 48 N -1.07 3.96 -0.15 0.24 0.04 -1.26 -1.18 135.00 135.58 1ssn s PRO 48 Ca -0.09 1.86 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 1ssn s PRO 48 Cb -0.07 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 1ssn s PRO 48 CO -0.00 -0.41 1.67 -1.50 0.04 0.00 0.00 177.00 176.79 1ssn s ILE 49 N -1.43 3.61 -0.10 0.56 -1.16 -1.26 -4.72 121.20 116.69 1ssn s ILE 49 Ca 0.59 0.71 -0.03 0.00 -0.51 0.00 0.00 60.65 61.41 1ssn s ILE 49 Cb -0.31 -3.56 0.04 0.00 0.61 0.00 0.00 42.46 39.24 1ssn s ILE 49 CO 0.39 -0.18 0.05 -0.54 -2.81 0.00 0.00 174.94 171.85 1ssn s LYS 50 N 4.49 0.26 0.99 3.50 -0.14 -1.26 -5.00 119.74 122.59 1ssn s LYS 50 Ca 0.74 0.07 -0.17 0.00 -1.36 0.00 0.00 55.97 55.25 1ssn s LYS 50 Cb -0.29 -1.20 0.22 0.00 -1.68 0.00 0.00 37.83 34.88 1ssn s LYS 50 CO 0.30 -0.45 1.31 -1.25 -0.76 0.00 0.00 175.35 174.50 1ssn s PRO 51 N 2.06 0.38 0.00 -1.68 0.04 -1.26 -4.54 135.00 129.99 1ssn s PRO 51 Ca 0.03 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 60.66 1ssn s PRO 51 Cb -0.14 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1ssn s PRO 51 CO -0.06 -2.59 0.00 0.41 0.04 0.00 0.00 177.00 174.80 1ssn n GLY 52 N -3.55 2.60 3.77 0.56 0.00 -0.86 -4.99 105.19 102.71 1ssn n GLY 52 Ca 0.16 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1ssn n GLY 52 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ssn s THR 53 N -2.62 2.90 0.42 2.61 -1.32 -1.26 -4.61 115.64 111.76 1ssn s THR 53 Ca 0.00 0.74 -0.24 0.00 -1.21 0.00 0.00 61.69 60.98 1ssn s THR 53 Cb 0.00 -3.40 -0.08 0.00 -1.51 0.00 0.00 72.50 67.51 1ssn s THR 53 CO 0.00 0.05 1.12 -0.89 -2.21 0.00 0.00 174.62 172.69 1ssn s THR 54 N -1.41 3.34 -0.15 5.08 2.01 -1.26 -1.78 115.64 121.47 1ssn s THR 54 Ca 0.60 1.04 -0.04 0.00 0.31 0.00 0.00 61.69 63.61 1ssn s THR 54 Cb -0.33 -3.55 0.07 0.00 0.01 0.00 0.00 72.50 68.70 1ssn s THR 54 CO 0.41 0.02 0.16 -0.22 -0.69 0.00 0.00 174.62 174.30 1ssn s LEU 55 N -2.75 0.03 0.29 4.42 1.98 -0.45 -4.92 118.68 117.28 1ssn s LEU 55 Ca 0.60 -0.12 -0.19 0.00 -2.89 0.00 0.00 54.13 51.53 1ssn s LEU 55 Cb -0.27 0.16 0.05 0.00 0.66 0.00 0.00 46.19 46.79 1ssn s LEU 55 CO 0.33 -0.30 0.83 0.28 -1.89 0.00 0.00 176.35 175.60 1ssn s THR 56 N 2.26 0.00 0.11 3.68 -1.32 -1.26 -2.18 115.64 116.93 1ssn s THR 56 Ca 0.04 -0.89 -0.32 0.00 -1.21 0.00 0.00 61.69 59.31 1ssn s THR 56 Cb -0.14 -2.53 -0.12 0.00 -1.51 0.00 0.00 72.50 68.20 1ssn s THR 56 CO -0.09 0.00 1.53 0.50 -2.21 0.00 0.00 174.62 174.35 1ssn h LYS 57 N 2.00 -0.50 -0.54 7.08 3.64 -1.69 -2.26 116.57 124.30 1ssn h LYS 57 Ca -0.27 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.16 1ssn h LYS 57 Cb 1.24 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 33.15 1ssn h LYS 57 CO 0.33 -0.34 0.36 1.05 -2.27 0.00 0.00 179.45 178.58 1ssn h GLU 58 N -0.52 0.69 0.48 1.90 -0.00 -1.91 -0.86 114.58 114.36 1ssn h GLU 58 Ca 0.04 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.36 59.33 1ssn h GLU 58 Cb 0.64 -0.16 0.00 0.00 -0.00 0.00 0.00 28.75 29.23 1ssn h GLU 58 CO -0.45 0.46 -0.23 0.87 -0.00 0.00 0.00 179.01 179.65 1ssn h LYS 59 N 0.71 -0.63 -0.92 1.06 1.79 -1.87 -3.23 116.57 113.48 1ssn h LYS 59 Ca 0.20 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1ssn h LYS 59 Cb -0.05 0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.70 1ssn h LYS 59 CO -0.05 -0.36 0.58 0.82 -1.08 0.00 0.00 179.45 179.36 1ssn h ILE 60 N -0.77 1.24 0.52 1.86 1.08 -0.95 -2.77 117.51 117.71 1ssn h ILE 60 Ca -0.07 -0.49 -0.01 0.00 -0.39 0.00 0.00 64.86 63.90 1ssn h ILE 60 Cb 0.55 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.21 1ssn h ILE 60 CO 0.11 0.25 -0.47 -0.33 -0.69 0.00 0.00 178.15 177.01 1ssn h GLU 61 N 1.25 -0.95 -0.48 2.37 5.08 -1.19 0.14 114.58 120.80 1ssn h GLU 61 Ca 0.33 0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.66 1ssn h GLU 61 Cb -0.10 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1ssn h GLU 61 CO -0.07 -0.63 -0.09 0.10 -1.00 0.00 0.00 179.01 177.32 1ssn h TYR 62 N -0.99 0.96 -0.28 4.33 -0.00 -1.60 -2.72 116.97 116.67 1ssn h TYR 62 Ca -0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 58.73 58.45 1ssn h TYR 62 Cb 0.85 -0.24 -0.01 0.00 0.00 0.00 0.00 36.73 37.33 1ssn h TYR 62 CO -0.22 0.91 0.01 -0.92 -0.00 0.00 0.00 178.16 177.94 1ssn h TYR 63 N 0.78 0.53 0.00 0.10 3.20 -1.28 -2.77 116.97 117.54 1ssn h TYR 63 Ca 0.13 -0.09 -0.10 0.00 3.14 0.00 0.00 58.73 61.82 1ssn h TYR 63 Cb 0.60 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1ssn h TYR 63 CO 0.03 0.63 -0.46 -0.24 -1.64 0.00 0.00 178.16 176.49 1ssn h VAL 64 N 0.28 0.95 -0.46 1.81 3.04 -1.02 -2.73 116.25 118.12 1ssn h VAL 64 Ca 0.08 -1.85 -0.04 0.00 -1.01 0.00 0.00 66.70 63.89 1ssn h VAL 64 Cb 0.41 2.13 -0.02 0.00 -2.01 0.00 0.00 31.29 31.80 1ssn h VAL 64 CO 0.01 0.45 0.13 -0.33 -1.01 0.00 0.00 177.57 176.82 1ssn h GLU 65 N 0.00 0.68 -0.08 4.17 4.39 -1.35 -2.63 114.58 119.76 1ssn h GLU 65 Ca -0.00 -0.11 -0.13 0.00 0.34 0.00 0.00 59.36 59.45 1ssn h GLU 65 Cb 1.09 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 1ssn h GLU 65 CO 0.06 0.60 -0.55 -1.49 -1.16 0.00 0.00 179.01 176.47 1ssn h TRP 66 N 0.66 0.28 -0.54 4.33 -0.00 -1.20 -1.23 115.95 118.25 1ssn h TRP 66 Ca 0.15 -0.10 -0.03 0.00 -0.00 0.00 0.00 58.89 58.91 1ssn h TRP 66 Cb 0.22 -0.05 -0.03 0.00 -0.00 0.00 0.00 29.16 29.30 1ssn h TRP 66 CO 0.01 0.73 0.21 0.00 -0.00 0.00 0.00 178.44 179.38 1ssn h ALA 67 N 1.25 1.34 -0.17 1.49 0.00 -1.30 -2.70 119.26 119.18 1ssn h ALA 67 Ca 0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 1ssn h ALA 67 Cb 1.02 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1ssn h ALA 67 CO 0.08 0.49 -0.60 -0.07 0.00 0.00 0.00 179.25 179.15 1ssn h LEU 68 N 0.78 0.82 -5.78 0.00 3.38 -1.28 -3.35 115.31 109.88 1ssn h LEU 68 Ca 0.19 -0.60 -0.70 0.00 0.09 0.00 0.00 57.88 56.85 1ssn h LEU 68 Cb 0.17 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1ssn h LEU 68 CO -0.02 1.29 3.25 -0.67 0.09 0.00 0.00 178.44 182.39 1ssn n ASP 69 N -4.08 5.09 0.22 -0.43 2.03 -0.48 -3.10 116.55 115.80 1ssn n ASP 69 Ca -0.07 -2.79 0.00 0.00 0.52 0.00 0.00 54.79 52.45 1ssn n ASP 69 Cb 0.65 -1.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 1ssn n ASP 69 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ssn n ALA 70 N 5.39 0.51 -0.10 -1.67 0.00 -1.24 -4.84 120.51 118.55 1ssn n ALA 70 Ca 0.58 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.87 1ssn n ALA 70 Cb 0.35 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.75 1ssn n ALA 70 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ssn n THR 71 N -3.45 1.49 -1.98 0.00 -2.24 -1.24 -4.41 114.28 102.46 1ssn n THR 71 Ca 0.00 0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.38 1ssn n THR 71 Cb 0.00 -2.21 -0.01 0.00 -2.10 0.00 0.00 70.33 66.02 1ssn n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ssn n ALA 72 N -4.12 6.41 0.11 6.98 0.00 -1.18 -3.90 120.51 124.82 1ssn n ALA 72 Ca -0.25 -4.06 -0.09 0.00 0.00 0.00 0.00 53.44 49.04 1ssn n ALA 72 Cb 0.58 -2.98 -0.05 0.00 0.00 0.00 0.00 19.45 17.00 1ssn n ALA 72 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1ssn h TYR 73 N 5.09 -0.34 0.00 0.00 5.03 -1.77 -3.37 116.97 121.61 1ssn h TYR 73 Ca 0.63 -0.01 -0.25 0.00 2.58 0.00 0.00 58.73 61.68 1ssn h TYR 73 Cb 0.42 0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.77 1ssn h TYR 73 CO 1.53 -0.05 -1.54 1.17 -1.32 0.00 0.00 178.16 177.95 1ssn n LYS 74 N -5.02 0.55 -2.08 1.82 4.81 -1.26 -4.58 118.16 112.40 1ssn n LYS 74 Ca -0.07 0.44 -0.42 0.00 -0.87 0.00 0.00 58.31 57.39 1ssn n LYS 74 Cb 0.23 -1.63 0.00 0.00 0.02 0.00 0.00 35.03 33.65 1ssn n LYS 74 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ssn n GLU 75 N -4.40 3.53 -3.50 1.64 2.13 -1.26 -4.78 120.64 114.00 1ssn n GLU 75 Ca -0.34 -3.20 -0.13 0.00 0.66 0.00 0.00 57.16 54.15 1ssn n GLU 75 Cb 0.67 -2.98 -0.04 0.00 0.27 0.00 0.00 31.44 29.36 1ssn n GLU 75 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1ssn s PHE 76 N 1.05 -0.50 -0.30 4.31 -0.71 -1.26 -2.44 117.98 118.13 1ssn s PHE 76 Ca 0.45 0.59 -0.05 0.00 -1.04 0.00 0.00 56.93 56.88 1ssn s PHE 76 Cb 0.12 0.49 0.18 0.00 -1.21 0.00 0.00 43.02 42.61 1ssn s PHE 76 CO -0.03 -0.62 0.72 0.50 -1.34 0.00 0.00 175.22 174.44 1ssn s ARG 77 N -2.40 0.48 -0.95 1.99 6.06 -0.80 -5.01 118.95 118.32 1ssn s ARG 77 Ca -0.02 0.89 -0.24 0.00 -2.50 0.00 0.00 55.73 53.86 1ssn s ARG 77 Cb -0.01 0.50 0.04 0.00 0.06 0.00 0.00 34.95 35.54 1ssn s ARG 77 CO -0.03 -0.48 1.47 0.08 -2.50 0.00 0.00 175.30 173.84 1ssn s VAL 78 N 2.87 3.83 0.24 7.11 1.01 -1.26 -0.67 120.40 133.53 1ssn s VAL 78 Ca 0.13 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 1ssn s VAL 78 Cb -0.13 -4.92 0.23 0.00 0.00 0.00 0.00 36.38 31.55 1ssn s VAL 78 CO -0.19 -1.82 1.90 1.62 0.00 0.00 0.00 175.10 176.62 1ssn h VAL 79 N 6.69 1.21 -3.68 2.92 3.04 -1.88 -3.44 116.25 121.10 1ssn h VAL 79 Ca 0.09 -0.42 -0.08 0.00 -1.01 0.00 0.00 66.70 65.29 1ssn h VAL 79 Cb 1.02 -0.11 -0.13 0.00 -2.01 0.00 0.00 31.29 30.05 1ssn h VAL 79 CO 1.38 0.22 -0.27 -1.83 -1.01 0.00 0.00 177.57 176.06 1ssn s GLU 80 N -6.11 0.94 0.01 4.17 -1.05 -1.24 -5.08 118.70 110.34 1ssn s GLU 80 Ca -0.13 -0.90 0.01 0.00 -0.15 0.00 0.00 54.97 53.80 1ssn s GLU 80 Cb 0.17 0.39 -0.01 0.00 -0.44 0.00 0.00 34.13 34.24 1ssn s GLU 80 CO 0.80 -0.33 -0.04 -0.48 0.95 0.00 0.00 175.26 176.17 1ssn s LEU 81 N -2.85 2.07 0.14 1.83 2.34 -1.26 -1.85 118.68 119.09 1ssn s LEU 81 Ca 0.05 -0.18 -0.30 0.00 0.06 0.00 0.00 54.13 53.76 1ssn s LEU 81 Cb 0.04 -0.13 -0.07 0.00 -0.56 0.00 0.00 46.19 45.46 1ssn s LEU 81 CO -0.10 -0.03 1.22 -1.81 -1.06 0.00 0.00 176.35 174.56 1ssn s ASP 82 N -0.44 7.05 0.23 1.48 1.11 -1.20 -4.94 116.67 119.96 1ssn s ASP 82 Ca -0.02 2.17 0.00 0.00 0.18 0.00 0.00 52.55 54.88 1ssn s ASP 82 Cb -0.03 -2.59 0.26 0.00 1.07 0.00 0.00 42.92 41.62 1ssn s ASP 82 CO -0.00 -0.44 1.60 1.55 1.18 0.00 0.00 175.17 179.06 1ssn h PRO 83 N 5.95 0.47 -5.48 8.23 0.13 -2.01 -3.37 132.00 135.92 1ssn h PRO 83 Ca -0.43 -0.25 -0.69 0.00 -0.87 0.00 0.00 66.00 63.76 1ssn h PRO 83 Cb 1.21 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.26 1ssn h PRO 83 CO 0.78 0.82 2.18 0.45 -0.23 0.00 0.00 178.00 182.00 1ssn n SER 84 N -4.01 4.88 -4.67 1.44 2.88 -1.26 -4.90 113.62 107.97 1ssn n SER 84 Ca -0.02 -2.92 -0.29 0.00 -1.33 0.00 0.00 58.87 54.30 1ssn n SER 84 Cb 0.52 -1.71 0.16 0.00 -0.75 0.00 0.00 64.21 62.44 1ssn n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ssn s ALA 85 N 3.68 1.14 -0.21 -1.46 0.00 -1.26 -4.89 121.76 118.76 1ssn s ALA 85 Ca 0.51 -0.08 -0.08 0.00 0.00 0.00 0.00 51.96 52.31 1ssn s ALA 85 Cb 0.04 -3.20 0.09 0.00 0.00 0.00 0.00 23.12 20.05 1ssn s ALA 85 CO 0.05 -2.69 0.47 -1.59 0.00 0.00 0.00 175.76 172.00 1ssn s LYS 86 N -4.85 0.39 -0.21 0.00 -2.85 -1.26 -3.29 119.74 107.68 1ssn s LYS 86 Ca 0.65 1.08 -0.16 0.00 -1.00 0.00 0.00 55.97 56.53 1ssn s LYS 86 Cb -0.19 0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 35.89 1ssn s LYS 86 CO 0.58 -0.22 0.41 0.42 0.10 0.00 0.00 175.35 176.64 1ssn s ILE 87 N 2.42 5.18 -0.79 3.79 1.09 -0.50 -2.84 121.20 129.56 1ssn s ILE 87 Ca -0.04 0.71 -0.02 0.00 -1.10 0.00 0.00 60.65 60.20 1ssn s ILE 87 Cb -0.11 -3.74 0.20 0.00 -1.06 0.00 0.00 42.46 37.75 1ssn s ILE 87 CO -0.14 0.23 0.65 -1.61 -0.10 0.00 0.00 174.94 173.96 1ssn s GLU 88 N 1.48 3.01 -0.67 2.79 8.01 -0.41 -1.80 118.70 131.10 1ssn s GLU 88 Ca 0.19 -2.99 -0.26 0.00 0.01 0.00 0.00 54.97 51.92 1ssn s GLU 88 Cb -0.15 -3.87 -0.05 0.00 -4.31 0.00 0.00 34.13 25.75 1ssn s GLU 88 CO 0.08 -1.23 2.04 0.14 0.01 0.00 0.00 175.26 176.30 1ssn s VAL 89 N -0.85 3.27 -1.03 2.63 -7.23 -1.13 -2.15 120.40 113.91 1ssn s VAL 89 Ca 0.23 0.01 -0.19 0.00 -1.81 0.00 0.00 61.98 60.23 1ssn s VAL 89 Cb -0.12 -3.68 0.11 0.00 0.56 0.00 0.00 36.38 33.25 1ssn s VAL 89 CO -0.09 -0.65 1.31 -0.89 -0.31 0.00 0.00 175.10 174.46 1ssn s THR 90 N 10.48 4.55 -1.22 5.32 2.01 -0.63 -2.46 115.64 133.69 1ssn s THR 90 Ca 0.76 -1.60 -0.15 0.00 0.31 0.00 0.00 61.69 61.01 1ssn s THR 90 Cb -0.12 -4.90 0.14 0.00 0.01 0.00 0.00 72.50 67.63 1ssn s THR 90 CO 0.16 -1.67 1.51 -0.72 -0.69 0.00 0.00 174.62 173.21 1ssn s TYR 91 N 3.14 3.27 0.12 4.92 1.13 -1.14 -1.84 117.35 126.96 1ssn s TYR 91 Ca 0.39 -1.95 -0.14 0.00 -1.41 0.00 0.00 57.07 53.96 1ssn s TYR 91 Cb -0.03 -4.45 -0.07 0.00 -1.10 0.00 0.00 41.96 36.32 1ssn s TYR 91 CO -0.07 -1.52 0.51 1.52 -2.51 0.00 0.00 175.55 173.48 1ssn s TYR 92 N 2.42 3.63 -0.38 -3.49 -0.85 -1.26 -3.79 117.35 113.63 1ssn s TYR 92 Ca 0.46 1.03 0.01 0.00 -0.52 0.00 0.00 57.07 58.04 1ssn s TYR 92 Cb -0.01 -2.34 0.18 0.00 0.38 0.00 0.00 41.96 40.18 1ssn s TYR 92 CO 0.02 0.48 0.80 0.34 -1.52 0.00 0.00 175.55 175.67 1ssn s ASP 93 N -1.62 -1.05 -1.28 -0.18 2.15 -1.26 -4.36 116.67 109.08 1ssn s ASP 93 Ca 0.35 -0.54 -0.17 0.00 0.43 0.00 0.00 52.55 52.61 1ssn s ASP 93 Cb -0.15 1.34 0.01 0.00 -0.30 0.00 0.00 42.92 43.81 1ssn s ASP 93 CO 0.18 -0.11 1.99 1.17 -0.17 0.00 0.00 175.17 178.23 1ssn n LYS 94 N 4.10 2.64 0.00 4.34 3.00 -1.26 -1.34 118.16 129.63 1ssn n LYS 94 Ca 0.09 -2.70 0.00 0.00 -0.00 0.00 0.00 58.31 55.70 1ssn n LYS 94 Cb 0.60 -3.35 0.00 0.00 0.00 0.00 0.00 35.03 32.27 1ssn n LYS 94 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1ssn n ASN 95 N 7.93 0.00 0.00 3.14 3.02 -1.26 -4.73 115.26 123.36 1ssn n ASN 95 Ca 0.50 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.05 1ssn n ASN 95 Cb 0.42 0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.92 1ssn n ASN 95 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1ssn n LYS 96 N -2.40 0.00 0.09 3.52 0.00 -1.21 -5.03 118.16 113.14 1ssn n LYS 96 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 1ssn n LYS 96 Cb 0.00 -0.07 -0.05 0.00 -0.00 0.00 0.00 35.03 34.91 1ssn n LYS 96 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1ssn h LYS 97 N 0.00 -0.31 0.00 -1.58 1.63 -1.79 -3.51 116.57 111.02 1ssn h LYS 97 Ca 0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1ssn h LYS 97 Cb 0.00 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 1ssn h LYS 97 CO 0.00 -0.03 0.00 1.17 -3.45 0.00 0.00 179.45 177.14 1ssn n LYS 98 N -4.99 0.00 -1.60 1.90 4.81 -0.45 -4.94 118.16 112.90 1ssn n LYS 98 Ca -0.06 0.00 -0.47 0.00 -0.87 0.00 0.00 58.31 56.90 1ssn n LYS 98 Cb 0.22 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.23 1ssn n LYS 98 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ssn n GLU 99 N -1.33 1.36 -3.36 1.64 2.13 -1.26 -4.39 120.64 115.44 1ssn n GLU 99 Ca 0.00 0.48 -0.12 0.00 0.66 0.00 0.00 57.16 58.19 1ssn n GLU 99 Cb 0.00 -2.00 -0.08 0.00 0.27 0.00 0.00 31.44 29.63 1ssn n GLU 99 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1ssn s GLU 100 N -0.54 0.35 -1.06 5.31 2.12 -1.25 -4.95 118.70 118.69 1ssn s GLU 100 Ca 0.70 0.18 -0.22 0.00 0.36 0.00 0.00 54.97 55.99 1ssn s GLU 100 Cb -0.79 -0.52 0.02 0.00 0.26 0.00 0.00 34.13 33.11 1ssn s GLU 100 CO 0.53 -0.89 1.64 0.99 -0.54 0.00 0.00 175.26 176.98 1ssn s THR 101 N 2.48 3.84 -0.51 -1.70 2.01 -1.26 -2.86 115.64 117.63 1ssn s THR 101 Ca 0.10 -0.91 -0.17 0.00 0.31 0.00 0.00 61.69 61.02 1ssn s THR 101 Cb -0.14 -4.84 0.08 0.00 0.01 0.00 0.00 72.50 67.62 1ssn s THR 101 CO -0.25 -1.69 0.51 -0.75 -0.69 0.00 0.00 174.62 171.75 1ssn s LYS 102 N 5.36 3.03 0.24 4.92 2.36 -1.03 -4.97 119.74 129.64 1ssn s LYS 102 Ca 0.54 -1.30 -0.23 0.00 -2.55 0.00 0.00 55.97 52.43 1ssn s LYS 102 Cb -0.01 -4.17 -0.09 0.00 -1.05 0.00 0.00 37.83 32.51 1ssn s LYS 102 CO -0.03 -1.20 0.81 -1.54 1.55 0.00 0.00 175.35 174.94 1ssn s SER 103 N 2.94 7.25 0.02 1.43 1.04 -1.26 -2.85 113.70 122.27 1ssn s SER 103 Ca 0.08 1.63 -0.17 0.00 0.48 0.00 0.00 55.95 57.97 1ssn s SER 103 Cb -0.24 -2.50 0.03 0.00 0.10 0.00 0.00 66.02 63.41 1ssn s SER 103 CO 0.07 0.05 0.36 0.72 0.98 0.00 0.00 173.24 175.43 1ssn s PHE 104 N -1.44 -0.21 0.00 5.02 -0.12 -0.75 -5.02 117.98 115.46 1ssn s PHE 104 Ca 0.43 0.22 0.00 0.00 -0.05 0.00 0.00 56.93 57.53 1ssn s PHE 104 Cb -0.19 0.15 0.00 0.00 -0.63 0.00 0.00 43.02 42.35 1ssn s PHE 104 CO 0.24 -0.50 0.00 -0.35 -0.05 0.00 0.00 175.22 174.56 1ssn n PRO 105 N 0.80 0.00 -3.55 1.99 -0.04 -1.26 -1.42 135.00 131.52 1ssn n PRO 105 Ca -0.20 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.09 1ssn n PRO 105 Cb 0.58 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.98 1ssn n PRO 105 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1ssn s ILE 106 N 0.00 0.01 0.63 0.52 1.10 -1.21 -3.44 121.20 118.81 1ssn s ILE 106 Ca 0.00 -0.06 -0.00 0.00 -0.51 0.00 0.00 60.65 60.08 1ssn s ILE 106 Cb 0.00 -0.96 0.07 0.00 0.15 0.00 0.00 42.46 41.72 1ssn s ILE 106 CO 0.00 -0.03 0.88 0.42 -2.11 0.00 0.00 174.94 174.10 1ssn s THR 107 N -1.25 2.43 -0.15 4.00 -4.23 -1.26 -4.92 115.64 110.27 1ssn s THR 107 Ca -0.11 -0.59 0.16 0.00 -1.18 0.00 0.00 61.69 59.97 1ssn s THR 107 Cb -0.01 -2.84 -0.23 0.00 1.34 0.00 0.00 72.50 70.77 1ssn s THR 107 CO 0.09 0.00 0.12 1.21 -0.54 0.00 0.00 174.62 175.50 1ssn n GLU 108 N -2.58 1.07 0.00 3.99 4.07 -1.26 -1.92 120.64 124.01 1ssn n GLU 108 Ca 0.10 -0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 1ssn n GLU 108 Cb 0.60 -1.44 0.00 0.00 -0.06 0.00 0.00 31.44 30.54 1ssn n GLU 108 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1ssn n LYS 109 N -2.56 0.00 0.00 5.31 3.00 -1.26 -4.79 118.16 117.86 1ssn n LYS 109 Ca -0.24 0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1ssn n LYS 109 Cb 0.97 -1.13 0.00 0.00 0.00 0.00 0.00 35.03 34.87 1ssn n LYS 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ssn n GLY 110 N -0.30 0.21 3.72 3.14 0.00 -1.26 -4.95 105.19 105.75 1ssn n GLY 110 Ca 0.00 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1ssn n GLY 110 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ssn s PHE 111 N 0.00 3.58 0.04 1.61 -0.71 -0.93 -4.60 117.98 116.98 1ssn s PHE 111 Ca 0.00 1.54 -0.31 0.00 -1.04 0.00 0.00 56.93 57.13 1ssn s PHE 111 Cb 0.00 -3.25 -0.06 0.00 -1.21 0.00 0.00 43.02 38.50 1ssn s PHE 111 CO 0.00 -0.55 1.37 0.08 -1.34 0.00 0.00 175.22 174.78 1ssn s VAL 112 N 0.79 3.62 -0.08 -2.49 1.01 -1.26 -1.34 120.40 120.65 1ssn s VAL 112 Ca 0.54 1.09 -0.29 0.00 0.00 0.00 0.00 61.98 63.32 1ssn s VAL 112 Cb -0.25 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 1ssn s VAL 112 CO 0.29 0.04 2.09 -0.69 0.00 0.00 0.00 175.10 176.83 1ssn s VAL 113 N 1.81 3.01 0.38 2.92 1.01 -0.74 -4.91 120.40 123.89 1ssn s VAL 113 Ca 0.63 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.57 1ssn s VAL 113 Cb -0.33 -3.01 0.09 0.00 0.00 0.00 0.00 36.38 33.13 1ssn s VAL 113 CO 0.28 -0.00 0.52 -0.81 0.00 0.00 0.00 175.10 175.08 1ssn n PRO 114 N 8.12 -0.34 -0.16 2.72 -0.04 -1.26 -2.04 135.00 142.00 1ssn n PRO 114 Ca 0.25 -0.91 -0.05 0.00 -0.04 0.00 0.00 63.50 62.74 1ssn n PRO 114 Cb 0.43 -0.50 0.04 0.00 -0.04 0.00 0.00 33.50 33.43 1ssn n PRO 114 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ssn n ASP 115 N -3.27 -1.24 0.00 3.54 5.75 -1.26 -4.79 116.55 115.28 1ssn n ASP 115 Ca 0.07 -0.58 0.00 0.00 -0.01 0.00 0.00 54.79 54.27 1ssn n ASP 115 Cb 0.24 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1ssn n ASP 115 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ssn n LEU 116 N 0.00 0.04 0.00 -2.12 -0.00 -1.26 -5.15 117.00 108.51 1ssn n LEU 116 Ca 0.02 -0.04 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 1ssn n LEU 116 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.51 1ssn n LEU 116 CO 0.06 0.01 0.00 -0.24 -0.00 0.00 0.00 177.39 177.23 1ssn n SER 117 N -0.00 -1.03 -0.13 1.45 2.88 -1.26 -4.30 113.62 111.22 1ssn n SER 117 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 1ssn n SER 117 Cb 0.28 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.64 1ssn n SER 117 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ssn n GLU 118 N 0.00 0.58 -0.32 -1.46 0.00 -1.26 -4.54 120.64 113.65 1ssn n GLU 118 Ca 0.00 0.37 0.11 0.00 0.00 0.00 0.00 57.16 57.64 1ssn n GLU 118 Cb 0.00 -1.58 0.28 0.00 0.00 0.00 0.00 31.44 30.15 1ssn n GLU 118 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.13 178.25 1ssn h HIS 119 N -1.00 0.83 -3.17 4.31 2.07 -2.05 -3.37 115.15 112.76 1ssn h HIS 119 Ca -0.58 0.04 -0.66 0.00 -2.85 0.00 0.00 60.37 56.31 1ssn h HIS 119 Cb 1.50 -0.23 -0.11 0.00 2.57 0.00 0.00 27.41 31.15 1ssn h HIS 119 CO -0.03 0.12 -0.59 -1.50 -3.07 0.00 0.00 177.93 172.85 1ssn s ILE 120 N -5.90 4.57 0.00 6.12 1.10 -1.26 -4.53 121.20 121.29 1ssn s ILE 120 Ca -0.12 -0.40 0.00 0.00 -0.51 0.00 0.00 60.65 59.62 1ssn s ILE 120 Cb 0.24 -3.05 0.00 0.00 0.15 0.00 0.00 42.46 39.80 1ssn s ILE 120 CO 0.79 0.41 0.62 2.29 -2.11 0.00 0.00 174.94 176.93 1ssn n LYS 121 N 1.41 0.00 -2.74 3.50 2.85 -1.26 -4.54 118.16 117.38 1ssn n LYS 121 Ca -0.15 -0.44 -0.07 0.00 -1.05 0.00 0.00 58.31 56.60 1ssn n LYS 121 Cb 0.53 -0.25 0.05 0.00 -0.65 0.00 0.00 35.03 34.71 1ssn n LYS 121 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1ssn n ASN 122 N 0.00 -2.65 -2.64 -5.58 0.23 -1.26 -4.92 115.26 98.45 1ssn n ASN 122 Ca 0.00 -3.05 -0.07 0.00 -0.53 0.00 0.00 54.58 50.93 1ssn n ASN 122 Cb 0.57 1.65 0.04 0.00 -2.08 0.00 0.00 39.78 39.97 1ssn n ASN 122 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1ssn n PRO 123 N 1.65 0.14 -3.19 -0.53 -0.04 -1.26 -4.07 135.00 127.70 1ssn n PRO 123 Ca 0.08 -0.69 -0.15 0.00 -0.04 0.00 0.00 63.50 62.70 1ssn n PRO 123 Cb 0.64 -0.25 -0.05 0.00 -0.04 0.00 0.00 33.50 33.79 1ssn n PRO 123 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ssn s GLY 124 N -3.37 -0.10 -1.21 0.55 0.00 -0.76 -3.47 107.32 98.95 1ssn s GLY 124 Ca 0.19 -1.18 -0.21 0.00 0.00 0.00 0.00 44.72 43.52 1ssn s GLY 124 CO 0.13 2.88 1.82 -1.36 0.00 0.00 0.00 173.10 176.57 1ssn s PHE 125 N 0.89 2.34 -0.55 1.90 0.40 -1.02 -1.60 117.98 120.34 1ssn s PHE 125 Ca 0.25 -0.52 -0.21 0.00 -0.60 0.00 0.00 56.93 55.85 1ssn s PHE 125 Cb -0.05 -4.38 0.06 0.00 0.51 0.00 0.00 43.02 39.16 1ssn s PHE 125 CO -0.08 -1.54 0.79 -0.80 0.70 0.00 0.00 175.22 174.29 1ssn s ASN 126 N 5.49 6.25 -0.99 1.36 0.01 -0.92 -3.05 114.94 123.10 1ssn s ASN 126 Ca 0.61 -0.77 -0.23 0.00 -0.71 0.00 0.00 52.86 51.75 1ssn s ASN 126 Cb 0.01 -2.36 0.04 0.00 0.41 0.00 0.00 41.25 39.35 1ssn s ASN 126 CO 0.09 -1.11 1.50 -0.76 -1.51 0.00 0.00 177.10 175.30 1ssn s LEU 127 N 3.31 3.45 -1.15 0.60 2.01 -0.98 -1.29 118.68 124.63 1ssn s LEU 127 Ca 0.21 -1.31 -0.08 0.00 0.01 0.00 0.00 54.13 52.97 1ssn s LEU 127 Cb -0.17 -2.57 0.25 0.00 0.01 0.00 0.00 46.19 43.72 1ssn s LEU 127 CO 0.14 -1.66 1.43 -0.38 1.01 0.00 0.00 176.35 176.89 1ssn n ILE 128 N 6.97 4.77 -1.81 -0.59 5.41 -1.13 -3.48 119.36 129.50 1ssn n ILE 128 Ca 0.32 -5.32 -0.29 0.00 1.00 0.00 0.00 62.75 58.46 1ssn n ILE 128 Cb 0.50 -2.35 0.11 0.00 -0.71 0.00 0.00 39.64 37.20 1ssn n ILE 128 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1ssn s THR 129 N -1.11 2.00 -0.04 1.39 2.01 -1.21 -4.61 115.64 114.07 1ssn s THR 129 Ca 0.34 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.32 1ssn s THR 129 Cb -0.00 -2.93 0.02 0.00 0.01 0.00 0.00 72.50 69.60 1ssn s THR 129 CO 0.01 0.00 0.08 -0.75 -0.69 0.00 0.00 174.62 173.28 1ssn s LYS 130 N -5.53 0.05 0.06 4.92 2.20 -1.26 -0.68 119.74 119.50 1ssn s LYS 130 Ca 0.63 0.22 -0.04 0.00 -0.36 0.00 0.00 55.97 56.42 1ssn s LYS 130 Cb -0.11 -0.12 -0.03 0.00 -1.51 0.00 0.00 37.83 36.07 1ssn s LYS 130 CO 0.50 -0.11 0.05 0.14 -0.36 0.00 0.00 175.35 175.58 1ssn s VAL 131 N 0.72 0.19 -0.16 4.02 -7.23 -1.23 -3.26 120.40 113.46 1ssn s VAL 131 Ca -0.06 -1.55 -0.19 0.00 -1.81 0.00 0.00 61.98 58.37 1ssn s VAL 131 Cb -0.08 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 1ssn s VAL 131 CO -0.03 -0.86 0.54 -0.69 -0.31 0.00 0.00 175.10 173.75 1ssn s VAL 132 N -3.81 5.12 -0.19 1.32 1.01 -0.77 -2.31 120.40 120.77 1ssn s VAL 132 Ca 0.05 1.04 -0.01 0.00 0.00 0.00 0.00 61.98 63.06 1ssn s VAL 132 Cb 0.06 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1ssn s VAL 132 CO -0.10 0.23 -0.14 -0.63 0.00 0.00 0.00 175.10 174.46 1ssn s ILE 133 N 1.21 2.61 -0.22 2.22 1.01 -0.63 -2.81 121.20 124.59 1ssn s ILE 133 Ca 0.27 -0.76 -0.29 0.00 0.00 0.00 0.00 60.65 59.87 1ssn s ILE 133 Cb -0.16 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.18 1ssn s ILE 133 CO 0.11 0.49 1.03 -0.70 0.00 0.00 0.00 174.94 175.87 1ssn s GLU 134 N 1.33 4.27 0.00 2.79 2.12 0.16 -4.60 118.70 124.76 1ssn s GLU 134 Ca 0.05 1.34 0.27 0.00 0.36 0.00 0.00 54.97 56.99 1ssn s GLU 134 Cb -0.14 -3.63 0.93 0.00 0.26 0.00 0.00 34.13 31.56 1ssn s GLU 134 CO -0.08 -0.60 1.68 1.17 -0.54 0.00 0.00 175.26 176.88 1ssn n LYS 135 N 6.20 1.04 -0.65 4.30 4.81 -1.26 -1.91 118.16 130.69 1ssn n LYS 135 Ca 0.11 -0.57 0.00 0.00 -0.87 0.00 0.00 58.31 56.99 1ssn n LYS 135 Cb 0.46 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 34.02 1ssn n LYS 135 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20