#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 -0.86 -4.57 -3.46 3.41 -1.26 -4.50 113.62 102.38 1ssn n SER 2 Ca 0.00 -1.56 -0.39 0.00 -0.26 0.00 0.00 58.87 56.65 1ssn n SER 2 Cb 0.00 1.42 -0.03 0.00 -0.26 0.00 0.00 64.21 65.34 1ssn n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ssn s SER 3 N -1.87 5.13 -0.66 4.04 1.04 -1.26 -4.88 113.70 115.24 1ssn s SER 3 Ca 0.07 1.13 -0.27 0.00 0.48 0.00 0.00 55.95 57.36 1ssn s SER 3 Cb -0.02 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1ssn s SER 3 CO 0.04 -2.34 1.61 0.12 0.98 0.00 0.00 173.24 173.65 1ssn s PHE 4 N 9.62 1.93 -0.78 5.02 5.36 -1.26 -4.89 117.98 132.98 1ssn s PHE 4 Ca 0.88 0.43 -0.25 0.00 -0.96 0.00 0.00 56.93 57.03 1ssn s PHE 4 Cb -0.20 -4.32 -0.07 0.00 -0.34 0.00 0.00 43.02 38.08 1ssn s PHE 4 CO 0.28 -2.21 2.13 0.34 -1.46 0.00 0.00 175.22 174.30 1ssn s ASP 5 N 6.19 4.70 -0.44 6.13 2.15 -1.26 -4.49 116.67 129.64 1ssn s ASP 5 Ca 0.54 -0.09 0.05 0.00 0.43 0.00 0.00 52.55 53.47 1ssn s ASP 5 Cb -0.11 -2.55 0.18 0.00 -0.30 0.00 0.00 42.92 40.14 1ssn s ASP 5 CO 0.19 -3.05 0.46 -0.54 -0.17 0.00 0.00 175.17 172.06 1ssn s LYS 6 N 7.73 0.95 -0.75 4.34 -0.14 -1.26 -5.11 119.74 125.50 1ssn s LYS 6 Ca 0.80 -1.74 -0.26 0.00 -1.36 0.00 0.00 55.97 53.40 1ssn s LYS 6 Cb -0.11 -0.97 0.02 0.00 -1.68 0.00 0.00 37.83 35.10 1ssn s LYS 6 CO 0.08 -1.36 1.40 0.20 -0.76 0.00 0.00 175.35 174.91 1ssn s GLY 7 N 0.36 0.79 -0.98 -3.33 0.00 -1.26 -3.99 107.32 98.91 1ssn s GLY 7 Ca 0.31 -1.35 -0.09 0.00 0.00 0.00 0.00 44.72 43.60 1ssn s GLY 7 CO -0.15 2.80 0.79 0.28 0.00 0.00 0.00 173.10 176.82 1ssn n LYS 8 N 9.29 -1.59 -0.00 2.90 4.01 -1.26 -4.98 118.16 126.53 1ssn n LYS 8 Ca 0.10 0.88 -0.00 0.00 -0.51 0.00 0.00 58.31 58.77 1ssn n LYS 8 Cb 0.50 -4.89 -0.00 0.00 -0.51 0.00 0.00 35.03 30.13 1ssn n LYS 8 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 1ssn n TYR 9 N -3.13 0.00 -1.10 2.13 9.36 -1.24 -5.12 117.16 118.06 1ssn n TYR 9 Ca -0.08 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.27 1ssn n TYR 9 Cb 0.59 -0.01 -0.06 0.00 -0.63 0.00 0.00 39.34 39.22 1ssn n TYR 9 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1ssn n LYS 10 N -2.57 -2.46 -0.19 2.98 4.76 -0.98 -4.60 118.16 115.10 1ssn n LYS 10 Ca -0.00 1.92 -0.05 0.00 -2.87 0.00 0.00 58.31 57.31 1ssn n LYS 10 Cb 0.01 -2.91 0.01 0.00 -1.84 0.00 0.00 35.03 30.31 1ssn n LYS 10 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1ssn h LYS 11 N -1.07 -0.14 0.00 1.97 1.63 -1.63 -3.46 116.57 113.86 1ssn h LYS 11 Ca -0.11 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1ssn h LYS 11 Cb 1.04 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 1ssn h LYS 11 CO 0.05 -0.10 0.00 0.41 -3.45 0.00 0.00 179.45 176.36 1ssn n GLY 12 N -1.43 0.40 0.30 5.01 0.00 -1.26 -5.01 105.19 103.20 1ssn n GLY 12 Ca 0.04 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.24 1ssn n GLY 12 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ssn h ASP 13 N 0.16 0.00 -2.63 1.61 3.32 -1.91 -3.43 116.42 113.54 1ssn h ASP 13 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1ssn h ASP 13 Cb 0.00 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.61 1ssn h ASP 13 CO 0.00 0.03 1.00 -0.67 -1.72 0.00 0.00 179.24 177.88 1ssn n ASP 14 N -3.43 3.96 -2.74 6.45 2.03 -1.26 -4.55 116.55 117.02 1ssn n ASP 14 Ca -0.02 1.06 -0.09 0.00 0.52 0.00 0.00 54.79 56.26 1ssn n ASP 14 Cb 0.13 -1.57 0.08 0.00 -0.72 0.00 0.00 41.12 39.04 1ssn n ASP 14 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ssn n ALA 15 N 3.95 1.46 -1.78 -1.67 0.00 -1.25 -5.06 120.51 116.15 1ssn n ALA 15 Ca 0.16 -1.95 -0.41 0.00 0.00 0.00 0.00 53.44 51.24 1ssn n ALA 15 Cb 0.35 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.78 1ssn n ALA 15 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ssn s SER 16 N -1.78 6.37 0.33 0.00 0.01 -1.26 -4.62 113.70 112.75 1ssn s SER 16 Ca 0.25 2.96 0.00 0.00 1.31 0.00 0.00 55.95 60.47 1ssn s SER 16 Cb 0.39 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1ssn s SER 16 CO -0.05 -0.84 0.00 -1.22 0.41 0.00 0.00 173.24 171.54 1ssn n TYR 17 N 0.44 -2.88 -2.82 2.43 4.01 -1.26 -5.03 117.16 112.04 1ssn n TYR 17 Ca 0.01 1.48 -0.02 0.00 -0.16 0.00 0.00 57.90 59.21 1ssn n TYR 17 Cb 0.40 -2.62 0.00 0.00 -0.31 0.00 0.00 39.34 36.81 1ssn n TYR 17 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ssn n PHE 18 N -3.75 -3.35 -0.75 -0.72 7.35 -1.26 -4.87 117.46 110.11 1ssn n PHE 18 Ca -0.01 1.47 0.04 0.00 -0.76 0.00 0.00 57.45 58.18 1ssn n PHE 18 Cb 0.52 -3.55 -0.02 0.00 0.35 0.00 0.00 39.48 36.78 1ssn n PHE 18 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1ssn n GLU 19 N 0.65 -1.86 -1.73 -4.13 -0.58 -1.26 -4.61 120.64 107.12 1ssn n GLU 19 Ca 0.01 1.48 -0.37 0.00 -0.42 0.00 0.00 57.16 57.85 1ssn n GLU 19 Cb 0.14 -1.96 -0.03 0.00 -0.57 0.00 0.00 31.44 29.03 1ssn n GLU 19 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 1ssn s PRO 20 N -4.21 2.34 0.00 3.49 0.02 -1.26 -4.81 135.00 130.58 1ssn s PRO 20 Ca 0.00 1.16 0.00 0.00 0.02 0.00 0.00 61.00 62.18 1ssn s PRO 20 Cb 0.00 -4.50 0.00 0.00 0.02 0.00 0.00 34.50 30.02 1ssn s PRO 20 CO 0.00 -3.02 0.00 0.25 -0.33 0.00 0.00 177.00 173.90 1ssn n THR 21 N 7.71 0.00 -3.20 0.99 -2.24 -1.26 -5.05 114.28 111.23 1ssn n THR 21 Ca 0.31 0.29 0.04 0.00 -2.27 0.00 0.00 64.05 62.42 1ssn n THR 21 Cb 0.53 -1.28 -0.02 0.00 -2.10 0.00 0.00 70.33 67.47 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 -2.87 -0.60 1.08 3.38 0.00 -1.26 -5.08 107.32 101.96 1ssn s GLY 22 Ca 0.00 2.43 -0.18 0.00 0.00 0.00 0.00 44.72 46.96 1ssn s GLY 22 CO 0.00 3.55 1.12 -1.55 0.00 0.00 0.00 173.10 176.22 1ssn n PRO 23 N 5.40 -2.38 -3.86 2.90 -0.04 -1.26 -3.94 135.00 131.82 1ssn n PRO 23 Ca -0.05 -1.76 -0.05 0.00 -0.04 0.00 0.00 63.50 61.60 1ssn n PRO 23 Cb 0.52 -1.46 0.02 0.00 -0.04 0.00 0.00 33.50 32.54 1ssn n PRO 23 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1ssn s TYR 24 N -3.20 0.09 -0.36 0.54 -0.85 -1.26 -4.53 117.35 107.78 1ssn s TYR 24 Ca 0.69 -0.57 0.04 0.00 -0.52 0.00 0.00 57.07 56.71 1ssn s TYR 24 Cb -0.05 0.75 0.17 0.00 0.38 0.00 0.00 41.96 43.20 1ssn s TYR 24 CO 0.51 -1.13 0.47 -1.17 -1.52 0.00 0.00 175.55 172.71 1ssn s LEU 25 N -3.30 -0.72 -0.63 -3.49 0.20 -0.18 -1.40 118.68 109.16 1ssn s LEU 25 Ca 0.20 -1.02 -0.23 0.00 0.69 0.00 0.00 54.13 53.77 1ssn s LEU 25 Cb -0.03 1.16 0.06 0.00 -0.43 0.00 0.00 46.19 46.95 1ssn s LEU 25 CO 0.07 -0.25 0.94 -0.04 -0.29 0.00 0.00 176.35 176.78 1ssn s MET 26 N 1.84 3.15 -0.38 1.98 -1.94 -1.05 -2.48 119.30 120.42 1ssn s MET 26 Ca 0.15 -0.72 -0.15 0.00 -1.71 0.00 0.00 55.69 53.25 1ssn s MET 26 Cb -0.11 -4.19 0.01 0.00 2.01 0.00 0.00 34.83 32.55 1ssn s MET 26 CO -0.11 -1.72 0.33 0.08 -0.01 0.00 0.00 175.02 173.58 1ssn s VAL 27 N 3.97 5.21 -0.01 -6.03 1.01 -0.92 -1.63 120.40 122.00 1ssn s VAL 27 Ca 0.23 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1ssn s VAL 27 Cb -0.16 -3.88 0.12 0.00 0.00 0.00 0.00 36.38 32.45 1ssn s VAL 27 CO 0.12 -0.22 1.28 0.20 0.00 0.00 0.00 175.10 176.48 1ssn s ASN 28 N 1.73 -0.05 0.00 3.32 0.02 -1.16 -4.23 114.94 114.57 1ssn s ASN 28 Ca 0.08 -0.16 0.00 0.00 -1.02 0.00 0.00 52.86 51.76 1ssn s ASN 28 Cb -0.18 0.17 -0.00 0.00 0.02 0.00 0.00 41.25 41.26 1ssn s ASN 28 CO 0.11 -0.32 -0.00 0.68 0.02 0.00 0.00 177.10 177.59 1ssn s VAL 29 N -2.38 0.02 -0.59 1.60 -7.23 -1.26 -3.64 120.40 106.92 1ssn s VAL 29 Ca 0.16 -0.04 -0.27 0.00 -1.81 0.00 0.00 61.98 60.03 1ssn s VAL 29 Cb 0.04 -0.03 -0.02 0.00 0.56 0.00 0.00 36.38 36.93 1ssn s VAL 29 CO -0.03 -0.01 1.80 -0.89 -0.31 0.00 0.00 175.10 175.65 1ssn s THR 30 N -0.05 3.41 -1.00 5.32 2.01 0.04 -4.73 115.64 120.64 1ssn s THR 30 Ca -0.00 0.27 -0.17 0.00 0.31 0.00 0.00 61.69 62.10 1ssn s THR 30 Cb -0.00 -3.99 0.16 0.00 0.01 0.00 0.00 72.50 68.67 1ssn s THR 30 CO -0.00 -0.93 1.17 -0.83 -0.69 0.00 0.00 174.62 173.34 1ssn s GLY 31 N 7.47 2.19 0.65 4.40 0.00 -1.26 -1.94 107.32 118.82 1ssn s GLY 31 Ca 0.66 -3.03 -0.07 0.00 0.00 0.00 0.00 44.72 42.28 1ssn s GLY 31 CO 0.22 1.91 0.97 -1.34 0.00 0.00 0.00 173.10 174.86 1ssn s VAL 32 N 1.96 3.17 0.00 1.40 -7.23 -0.95 -1.65 120.40 117.10 1ssn s VAL 32 Ca 0.34 -0.02 -0.19 0.00 -1.81 0.00 0.00 61.98 60.30 1ssn s VAL 32 Cb -0.05 -3.31 -0.29 0.00 0.56 0.00 0.00 36.38 33.29 1ssn s VAL 32 CO -0.07 -0.33 1.02 -2.24 -0.31 0.00 0.00 175.10 173.17 1ssn h ASP 33 N -0.39 0.64 0.00 4.85 2.03 -1.79 0.23 116.42 121.98 1ssn h ASP 33 Ca -0.45 -0.86 0.00 0.00 -0.73 0.00 0.00 57.03 54.99 1ssn h ASP 33 Cb 1.28 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 39.57 1ssn h ASP 33 CO 0.61 1.44 0.00 -0.24 -1.03 0.00 0.00 179.24 180.02 1ssn n SER 34 N -4.02 -0.57 -2.13 4.15 2.88 -1.26 -4.49 113.62 108.18 1ssn n SER 34 Ca -0.13 0.24 -0.23 0.00 -1.33 0.00 0.00 58.87 57.42 1ssn n SER 34 Cb 0.85 0.76 0.03 0.00 -0.75 0.00 0.00 64.21 65.11 1ssn n SER 34 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1ssn n LYS 35 N -2.54 2.14 -3.17 -1.46 2.85 -1.26 -4.83 118.16 109.89 1ssn n LYS 35 Ca 0.00 -2.17 -0.14 0.00 -1.05 0.00 0.00 58.31 54.95 1ssn n LYS 35 Cb 0.00 -1.88 0.06 0.00 -0.65 0.00 0.00 35.03 32.56 1ssn n LYS 35 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ssn n GLY 36 N 0.09 -1.09 3.07 2.58 0.00 -1.26 -5.02 105.19 103.56 1ssn n GLY 36 Ca 0.42 0.55 -0.01 0.00 0.00 0.00 0.00 46.02 46.98 1ssn n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ssn s ASN 37 N -3.35 -0.91 -0.02 1.61 4.22 -1.26 -5.12 114.94 110.11 1ssn s ASN 37 Ca 0.42 -0.15 -0.30 0.00 -2.14 0.00 0.00 52.86 50.70 1ssn s ASN 37 Cb -0.05 1.70 -0.08 0.00 1.28 0.00 0.00 41.25 44.09 1ssn s ASN 37 CO 0.71 -0.30 1.93 -0.70 -2.04 0.00 0.00 177.10 176.70 1ssn s GLU 38 N 2.60 4.02 -0.05 3.55 2.12 -1.26 -4.07 118.70 125.60 1ssn s GLU 38 Ca 0.11 2.44 -0.25 0.00 0.36 0.00 0.00 54.97 57.63 1ssn s GLU 38 Cb -0.10 -4.16 -0.23 0.00 0.26 0.00 0.00 34.13 29.91 1ssn s GLU 38 CO -0.25 -1.09 1.06 -0.07 -0.54 0.00 0.00 175.26 174.38 1ssn h LEU 39 N 11.13 0.18 0.00 2.70 3.38 -1.66 -3.48 115.31 127.56 1ssn h LEU 39 Ca -0.46 -0.73 0.00 0.00 0.09 0.00 0.00 57.88 56.77 1ssn h LEU 39 Cb 1.23 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1ssn h LEU 39 CO 0.95 0.89 0.00 0.18 0.09 0.00 0.00 178.44 180.55 1ssn n LEU 40 N -4.57 0.00 -3.59 1.67 4.77 -1.25 -4.82 117.00 109.21 1ssn n LEU 40 Ca -0.09 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.61 1ssn n LEU 40 Cb 0.45 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 1ssn n LEU 40 CO 0.38 -0.47 -0.17 -1.54 -1.33 0.00 0.00 177.39 174.26 1ssn n SER 41 N -2.81 1.32 -4.31 -1.43 3.41 -1.26 -4.97 113.62 103.56 1ssn n SER 41 Ca 0.00 -2.82 -0.43 0.00 -0.26 0.00 0.00 58.87 55.36 1ssn n SER 41 Cb 0.00 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 1ssn n SER 41 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1ssn n PRO 42 N 2.23 3.30 -3.22 4.33 -0.04 -1.26 -4.18 135.00 136.15 1ssn n PRO 42 Ca 0.25 -3.47 -0.14 0.00 -0.04 0.00 0.00 63.50 60.10 1ssn n PRO 42 Cb 0.42 -3.19 -0.06 0.00 -0.04 0.00 0.00 33.50 30.64 1ssn n PRO 42 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1ssn s HIS 43 N 2.38 -0.43 0.00 0.54 3.76 -1.26 -4.56 115.29 115.73 1ssn s HIS 43 Ca 0.46 -1.00 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 1ssn s HIS 43 Cb 0.03 -0.28 0.00 0.00 1.11 0.00 0.00 32.58 33.44 1ssn s HIS 43 CO 0.02 -1.03 0.00 2.48 -0.85 0.00 0.00 174.74 175.36 1ssn n TYR 44 N 3.65 -1.64 -2.44 1.40 4.11 -1.26 -2.31 117.16 118.68 1ssn n TYR 44 Ca 0.17 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.64 1ssn n TYR 44 Cb 0.49 0.42 -0.02 0.00 -0.00 0.00 0.00 39.34 40.23 1ssn n TYR 44 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1ssn s VAL 45 N -1.84 4.30 -0.00 -3.48 1.01 -1.26 -1.78 120.40 117.34 1ssn s VAL 45 Ca 0.00 1.57 -0.24 0.00 0.00 0.00 0.00 61.98 63.31 1ssn s VAL 45 Cb 0.00 -4.02 0.05 0.00 0.00 0.00 0.00 36.38 32.41 1ssn s VAL 45 CO 0.00 -0.15 0.54 -0.70 0.00 0.00 0.00 175.10 174.79 1ssn s GLU 46 N 3.50 0.97 0.11 2.72 2.12 -1.26 -2.17 118.70 124.69 1ssn s GLU 46 Ca 0.54 -0.03 0.06 0.00 0.36 0.00 0.00 54.97 55.90 1ssn s GLU 46 Cb -0.21 0.45 -0.04 0.00 0.26 0.00 0.00 34.13 34.59 1ssn s GLU 46 CO 0.14 -0.32 -0.14 -0.06 -0.54 0.00 0.00 175.26 174.35 1ssn s PHE 47 N -1.70 1.33 -1.55 5.30 0.08 -1.03 -4.72 117.98 115.69 1ssn s PHE 47 Ca -0.09 -0.54 -0.09 0.00 0.12 0.00 0.00 56.93 56.33 1ssn s PHE 47 Cb -0.01 -0.71 -0.03 0.00 -0.57 0.00 0.00 43.02 41.69 1ssn s PHE 47 CO 0.04 0.11 2.77 -0.35 -0.10 0.00 0.00 175.22 177.69 1ssn n PRO 48 N 0.75 3.84 -3.21 0.24 -0.04 -1.26 -1.01 135.00 134.31 1ssn n PRO 48 Ca -0.17 -2.53 -0.03 0.00 -0.04 0.00 0.00 63.50 60.73 1ssn n PRO 48 Cb 0.56 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 1ssn n PRO 48 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1ssn n ILE 49 N 3.28 -2.14 -3.58 0.52 0.13 -1.26 -4.80 119.36 111.51 1ssn n ILE 49 Ca 0.73 0.46 -0.40 0.00 -1.10 0.00 0.00 62.75 62.44 1ssn n ILE 49 Cb 0.25 -3.04 -0.07 0.00 -0.84 0.00 0.00 39.64 35.94 1ssn n ILE 49 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 1ssn s LYS 50 N -1.11 2.84 0.63 9.51 2.20 -1.26 -5.02 119.74 127.52 1ssn s LYS 50 Ca 0.03 -2.36 -0.14 0.00 -0.36 0.00 0.00 55.97 53.13 1ssn s LYS 50 Cb -0.00 -3.97 -0.02 0.00 -1.51 0.00 0.00 37.83 32.33 1ssn s LYS 50 CO 0.07 -1.21 1.06 -1.25 -0.36 0.00 0.00 175.35 173.66 1ssn s PRO 51 N 0.28 3.16 0.00 4.03 0.04 -1.26 -4.56 135.00 136.68 1ssn s PRO 51 Ca 0.15 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1ssn s PRO 51 Cb -0.18 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1ssn s PRO 51 CO -0.05 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 176.47 1ssn n GLY 52 N -1.15 3.46 3.75 0.56 0.00 -1.26 -5.05 105.19 105.50 1ssn n GLY 52 Ca 0.09 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 2.34 -0.28 2.61 -1.32 -1.26 -4.77 115.64 112.96 1ssn s THR 53 Ca 0.00 0.26 -0.29 0.00 -1.21 0.00 0.00 61.69 60.45 1ssn s THR 53 Cb 0.00 -3.13 0.01 0.00 -1.51 0.00 0.00 72.50 67.87 1ssn s THR 53 CO 0.00 -0.00 1.17 -0.89 -2.21 0.00 0.00 174.62 172.69 1ssn s THR 54 N -1.37 4.37 -1.09 5.08 2.01 -1.26 -2.59 115.64 120.79 1ssn s THR 54 Ca 0.70 1.60 -0.22 0.00 0.31 0.00 0.00 61.69 64.08 1ssn s THR 54 Cb -0.37 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 67.90 1ssn s THR 54 CO 0.44 -0.40 1.67 -0.22 -0.69 0.00 0.00 174.62 175.42 1ssn s LEU 55 N 3.81 3.48 0.01 4.42 1.98 -0.05 -4.77 118.68 127.56 1ssn s LEU 55 Ca 0.50 -1.61 -0.15 0.00 -2.89 0.00 0.00 54.13 49.98 1ssn s LEU 55 Cb -0.15 -2.57 0.02 0.00 0.66 0.00 0.00 46.19 44.15 1ssn s LEU 55 CO 0.17 -1.81 0.32 0.42 -1.89 0.00 0.00 176.35 173.56 1ssn s THR 56 N 6.33 0.07 0.14 3.68 -4.23 -1.26 -3.95 115.64 116.42 1ssn s THR 56 Ca 0.55 -0.54 -0.23 0.00 -1.18 0.00 0.00 61.69 60.29 1ssn s THR 56 Cb -0.00 -0.75 0.01 0.00 1.34 0.00 0.00 72.50 73.10 1ssn s THR 56 CO -0.01 -0.30 1.64 0.50 -0.54 0.00 0.00 174.62 175.91 1ssn h LYS 57 N 3.59 -0.25 -0.74 3.99 3.64 -1.42 -1.65 116.57 123.72 1ssn h LYS 57 Ca -0.30 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.25 1ssn h LYS 57 Cb 1.18 0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 32.96 1ssn h LYS 57 CO 0.42 -0.17 0.21 1.05 -2.27 0.00 0.00 179.45 178.70 1ssn h GLU 58 N -0.26 0.30 0.00 1.90 4.11 -1.84 -1.10 114.58 117.70 1ssn h GLU 58 Ca 0.12 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.53 1ssn h GLU 58 Cb 0.44 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ssn h GLU 58 CO -0.33 0.20 -0.00 0.87 0.07 0.00 0.00 179.01 179.82 1ssn h LYS 59 N 0.31 -0.00 -0.93 1.06 1.57 -1.82 -3.36 116.57 113.41 1ssn h LYS 59 Ca 0.42 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.33 1ssn h LYS 59 Cb 0.70 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.93 1ssn h LYS 59 CO -0.48 0.83 0.59 0.82 -0.57 0.00 0.00 179.45 180.64 1ssn h ILE 60 N -0.83 0.86 0.27 1.86 1.08 -0.89 -1.72 117.51 118.14 1ssn h ILE 60 Ca -0.00 -0.27 -0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1ssn h ILE 60 Cb 0.83 -0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.54 1ssn h ILE 60 CO 0.00 0.15 -0.47 -0.33 -0.69 0.00 0.00 178.15 176.80 1ssn h GLU 61 N 0.80 -0.77 -0.19 2.37 5.08 -1.35 -0.35 114.58 120.16 1ssn h GLU 61 Ca 0.47 0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.71 1ssn h GLU 61 Cb 0.64 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 1ssn h GLU 61 CO -0.23 -0.51 -0.57 0.10 -1.00 0.00 0.00 179.01 176.81 1ssn h TYR 62 N -0.79 0.76 -0.14 4.33 -0.00 -1.71 -3.02 116.97 116.40 1ssn h TYR 62 Ca -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 58.73 58.41 1ssn h TYR 62 Cb 0.74 -0.14 -0.01 0.00 0.00 0.00 0.00 36.73 37.32 1ssn h TYR 62 CO -0.35 1.03 0.03 -0.92 -0.00 0.00 0.00 178.16 177.95 1ssn h TYR 63 N 0.46 0.24 0.00 0.10 3.20 -1.16 -1.09 116.97 118.72 1ssn h TYR 63 Ca 0.01 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.74 1ssn h TYR 63 Cb 1.12 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 1ssn h TYR 63 CO 0.05 0.39 -0.49 -0.24 -1.64 0.00 0.00 178.16 176.23 1ssn h VAL 64 N 0.03 1.17 -0.39 1.81 3.04 -1.17 -2.23 116.25 118.50 1ssn h VAL 64 Ca 0.04 -1.78 -0.04 0.00 -1.01 0.00 0.00 66.70 63.92 1ssn h VAL 64 Cb 0.27 2.01 -0.02 0.00 -2.01 0.00 0.00 31.29 31.54 1ssn h VAL 64 CO 0.00 0.48 0.09 -0.08 -1.01 0.00 0.00 177.57 177.05 1ssn h GLU 65 N 0.00 0.63 0.00 4.17 4.81 -1.37 -2.69 114.58 120.13 1ssn h GLU 65 Ca -0.00 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1ssn h GLU 65 Cb 0.97 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 1ssn h GLU 65 CO 0.06 0.66 -0.03 -1.49 -0.73 0.00 0.00 179.01 177.49 1ssn h TRP 66 N 0.49 0.00 -0.11 0.92 -0.00 -0.91 -1.59 115.95 114.75 1ssn h TRP 66 Ca 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.97 1ssn h TRP 66 Cb 0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.48 1ssn h TRP 66 CO 0.02 0.03 -0.09 0.00 -0.00 0.00 0.00 178.44 178.39 1ssn h ALA 67 N 1.97 0.16 -0.50 1.49 0.00 -1.07 -2.17 119.26 119.16 1ssn h ALA 67 Ca -0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1ssn h ALA 67 Cb 0.33 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1ssn h ALA 67 CO 0.00 -0.01 -0.16 1.37 0.00 0.00 0.00 179.25 180.45 1ssn h LEU 68 N -0.12 0.98 -4.92 0.00 8.10 -1.46 -3.22 115.31 114.66 1ssn h LEU 68 Ca 0.02 -0.34 -0.62 0.00 0.11 0.00 0.00 57.88 57.05 1ssn h LEU 68 Cb 0.59 -0.27 -0.20 0.00 -0.44 0.00 0.00 40.66 40.35 1ssn h LEU 68 CO 0.02 1.12 0.88 0.47 -4.11 0.00 0.00 178.44 176.83 1ssn n ASP 69 N -4.13 7.01 -0.03 0.17 8.00 -0.61 -4.23 116.55 122.74 1ssn n ASP 69 Ca 0.01 -3.38 -0.06 0.00 0.71 0.00 0.00 54.79 52.07 1ssn n ASP 69 Cb 0.42 -1.21 -0.02 0.00 -0.02 0.00 0.00 41.12 40.30 1ssn n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ssn n ALA 70 N 0.60 1.95 -0.07 2.24 0.00 -0.82 -4.73 120.51 119.68 1ssn n ALA 70 Ca 0.52 -0.43 -0.14 0.00 0.00 0.00 0.00 53.44 53.39 1ssn n ALA 70 Cb 0.41 0.16 -0.13 0.00 0.00 0.00 0.00 19.45 19.90 1ssn n ALA 70 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1ssn h THR 71 N -0.50 1.70 0.00 0.00 1.35 -1.81 -3.44 112.91 110.20 1ssn h THR 71 Ca -0.04 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.50 1ssn h THR 71 Cb 0.60 3.24 0.00 0.00 -1.73 0.00 0.00 68.15 70.26 1ssn h THR 71 CO -0.03 0.57 0.00 0.00 -0.25 0.00 0.00 175.52 175.82 1ssn n ALA 72 N -2.68 0.00 -2.88 6.62 0.00 -1.26 -5.02 120.51 115.28 1ssn n ALA 72 Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.28 1ssn n ALA 72 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1ssn n ALA 72 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ssn n TYR 73 N 0.00 -3.09 0.00 0.00 9.36 -1.26 -4.46 117.16 117.70 1ssn n TYR 73 Ca 0.00 1.34 0.00 0.00 3.32 0.00 0.00 57.90 62.56 1ssn n TYR 73 Cb 0.00 -3.33 0.00 0.00 -0.63 0.00 0.00 39.34 35.38 1ssn n TYR 73 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1ssn n LYS 74 N 0.59 0.00 -2.52 2.98 4.81 -1.26 -4.57 118.16 118.19 1ssn n LYS 74 Ca 0.02 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.19 1ssn n LYS 74 Cb 0.22 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.27 1ssn n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1ssn n GLU 75 N -2.40 3.33 -3.50 1.64 1.02 -1.26 -4.76 120.64 114.71 1ssn n GLU 75 Ca 0.00 -4.49 -0.29 0.00 -0.02 0.00 0.00 57.16 52.36 1ssn n GLU 75 Cb 0.00 -2.21 -0.13 0.00 -0.02 0.00 0.00 31.44 29.08 1ssn n GLU 75 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1ssn s PHE 76 N -3.52 0.75 0.10 -0.32 0.08 -1.26 -2.26 117.98 111.55 1ssn s PHE 76 Ca 0.47 -1.54 -0.13 0.00 0.12 0.00 0.00 56.93 55.85 1ssn s PHE 76 Cb 0.39 -0.99 -0.16 0.00 -0.57 0.00 0.00 43.02 41.69 1ssn s PHE 76 CO -0.18 -0.83 1.31 -0.09 -0.10 0.00 0.00 175.22 175.33 1ssn h ARG 77 N 7.27 0.81 -2.35 0.44 2.43 -1.63 -3.46 114.38 117.88 1ssn h ARG 77 Ca 0.00 -0.66 0.00 0.00 -0.81 0.00 0.00 59.98 58.52 1ssn h ARG 77 Cb 0.98 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1ssn h ARG 77 CO 0.31 1.26 -0.29 0.28 -1.51 0.00 0.00 179.97 180.03 1ssn n VAL 78 N -3.94 -5.45 0.13 0.20 0.31 -1.19 -4.86 118.33 103.52 1ssn n VAL 78 Ca -0.07 0.99 -0.05 0.00 -0.01 0.00 0.00 64.34 65.20 1ssn n VAL 78 Cb 0.75 -3.44 -0.02 0.00 -0.91 0.00 0.00 33.84 30.21 1ssn n VAL 78 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ssn h VAL 79 N 1.28 0.00 -4.05 2.52 2.07 -1.48 -3.42 116.25 113.17 1ssn h VAL 79 Ca 0.00 -0.03 -0.13 0.00 0.82 0.00 0.00 66.70 67.37 1ssn h VAL 79 Cb 0.00 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.64 1ssn h VAL 79 CO 0.00 0.00 -0.43 -1.61 0.02 0.00 0.00 177.57 175.55 1ssn s GLU 80 N -3.51 1.07 -0.06 1.57 0.41 -1.03 -5.01 118.70 112.13 1ssn s GLU 80 Ca -0.05 -1.25 0.02 0.00 -0.41 0.00 0.00 54.97 53.28 1ssn s GLU 80 Cb 0.00 0.33 0.02 0.00 -1.78 0.00 0.00 34.13 32.70 1ssn s GLU 80 CO 0.14 -0.36 -0.09 -0.48 -0.49 0.00 0.00 175.26 173.98 1ssn s LEU 81 N -2.99 1.51 0.13 1.80 0.05 -1.26 -1.43 118.68 116.49 1ssn s LEU 81 Ca 0.19 -0.24 -0.30 0.00 0.05 0.00 0.00 54.13 53.82 1ssn s LEU 81 Cb 0.05 -0.70 -0.07 0.00 -2.05 0.00 0.00 46.19 43.41 1ssn s LEU 81 CO 0.00 -0.01 1.26 -1.81 -0.55 0.00 0.00 176.35 175.24 1ssn s ASP 82 N 0.82 7.00 0.46 1.48 1.11 -1.24 -4.92 116.67 121.38 1ssn s ASP 82 Ca -0.12 2.21 0.26 0.00 0.18 0.00 0.00 52.55 55.08 1ssn s ASP 82 Cb -0.15 -2.59 0.97 0.00 1.07 0.00 0.00 42.92 42.21 1ssn s ASP 82 CO 0.02 -0.49 1.84 1.55 1.18 0.00 0.00 175.17 179.27 1ssn h PRO 83 N 6.09 0.00 -3.67 8.23 0.13 -2.00 -3.36 132.00 137.41 1ssn h PRO 83 Ca -0.43 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.98 1ssn h PRO 83 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 1ssn h PRO 83 CO 0.80 0.16 2.96 0.43 -0.23 0.00 0.00 178.00 182.12 1ssn n SER 84 N -3.29 5.07 -4.79 1.44 7.64 -1.26 -4.94 113.62 113.49 1ssn n SER 84 Ca 0.01 -2.88 -0.30 0.00 1.01 0.00 0.00 58.87 56.71 1ssn n SER 84 Cb 0.41 -1.59 0.10 0.00 -1.01 0.00 0.00 64.21 62.13 1ssn n SER 84 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ssn s ALA 85 N 2.20 2.09 -0.13 -0.43 0.00 -1.26 -4.89 121.76 119.34 1ssn s ALA 85 Ca 0.49 -0.20 -0.08 0.00 0.00 0.00 0.00 51.96 52.18 1ssn s ALA 85 Cb 0.14 -3.12 0.05 0.00 0.00 0.00 0.00 23.12 20.19 1ssn s ALA 85 CO -0.06 -1.87 0.32 -1.59 0.00 0.00 0.00 175.76 172.55 1ssn s LYS 86 N -5.12 0.31 -0.35 0.00 -2.85 -1.26 -3.35 119.74 107.12 1ssn s LYS 86 Ca 0.61 0.59 -0.17 0.00 -1.00 0.00 0.00 55.97 56.00 1ssn s LYS 86 Cb -0.15 -0.01 -0.00 0.00 -2.06 0.00 0.00 37.83 35.60 1ssn s LYS 86 CO 0.55 -0.13 0.45 0.42 0.10 0.00 0.00 175.35 176.74 1ssn s ILE 87 N 1.02 5.08 -0.82 3.79 1.09 -0.05 -3.84 121.20 127.47 1ssn s ILE 87 Ca -0.07 0.18 0.01 0.00 -1.10 0.00 0.00 60.65 59.67 1ssn s ILE 87 Cb -0.08 -3.92 0.34 0.00 -1.06 0.00 0.00 42.46 37.74 1ssn s ILE 87 CO -0.08 -0.19 1.52 -0.62 -0.10 0.00 0.00 174.94 175.47 1ssn n GLU 88 N 5.60 4.29 -1.81 2.79 1.02 -0.83 -1.77 120.64 129.93 1ssn n GLU 88 Ca -0.07 -4.59 -0.39 0.00 -0.02 0.00 0.00 57.16 52.09 1ssn n GLU 88 Cb 0.49 -2.36 -0.03 0.00 -0.02 0.00 0.00 31.44 29.52 1ssn n GLU 88 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ssn s VAL 89 N -4.56 3.21 -0.53 2.62 0.11 -1.11 -4.13 120.40 116.01 1ssn s VAL 89 Ca 0.44 0.17 -0.16 0.00 -2.93 0.00 0.00 61.98 59.50 1ssn s VAL 89 Cb 0.26 -3.43 0.12 0.00 -1.53 0.00 0.00 36.38 31.80 1ssn s VAL 89 CO -0.17 -0.37 0.50 -0.89 -3.33 0.00 0.00 175.10 170.84 1ssn s THR 90 N 9.52 5.19 -0.99 5.04 2.01 -0.73 -2.47 115.64 133.21 1ssn s THR 90 Ca 0.85 -1.40 -0.12 0.00 0.31 0.00 0.00 61.69 61.33 1ssn s THR 90 Cb -0.19 -4.32 0.24 0.00 0.01 0.00 0.00 72.50 68.24 1ssn s THR 90 CO 0.27 -0.85 0.99 -0.72 -0.69 0.00 0.00 174.62 173.62 1ssn s TYR 91 N 1.68 3.96 -1.00 4.92 1.13 -1.11 -4.26 117.35 122.67 1ssn s TYR 91 Ca 0.04 -2.30 -0.23 0.00 -1.41 0.00 0.00 57.07 53.17 1ssn s TYR 91 Cb -0.29 -3.88 -0.12 0.00 -1.10 0.00 0.00 41.96 36.57 1ssn s TYR 91 CO 0.04 -1.02 1.92 2.48 -2.51 0.00 0.00 175.55 176.46 1ssn n TYR 92 N 3.60 2.36 -3.20 -3.49 4.11 -1.26 -3.57 117.16 115.71 1ssn n TYR 92 Ca 0.20 -1.59 -0.27 0.00 -0.00 0.00 0.00 57.90 56.25 1ssn n TYR 92 Cb 0.43 -2.23 -0.06 0.00 -0.00 0.00 0.00 39.34 37.48 1ssn n TYR 92 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1ssn n ASP 93 N 11.58 4.01 -4.60 9.48 2.03 -1.26 -4.15 116.55 133.64 1ssn n ASP 93 Ca 0.47 -3.54 -0.43 0.00 0.52 0.00 0.00 54.79 51.81 1ssn n ASP 93 Cb 0.44 -0.62 -0.02 0.00 -0.72 0.00 0.00 41.12 40.20 1ssn n ASP 93 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1ssn s LYS 94 N -2.90 3.49 0.00 -0.67 0.00 -1.26 -1.26 119.74 117.14 1ssn s LYS 94 Ca 0.44 1.20 0.00 0.00 0.00 0.00 0.00 55.97 57.60 1ssn s LYS 94 Cb 0.21 -4.10 0.00 0.00 0.00 0.00 0.00 37.83 33.94 1ssn s LYS 94 CO -0.07 -1.66 0.00 0.27 0.00 0.00 0.00 175.35 173.89 1ssn n ASN 95 N 9.39 0.00 0.00 0.03 0.23 -1.26 -4.85 115.26 118.80 1ssn n ASN 95 Ca 0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.24 1ssn n ASN 95 Cb 0.47 0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 1ssn n ASN 95 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1ssn n LYS 96 N -1.68 0.00 -0.04 -3.83 -0.00 -1.26 -4.98 118.16 106.37 1ssn n LYS 96 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 1ssn n LYS 96 Cb 0.00 -0.19 -0.09 0.00 -0.00 0.00 0.00 35.03 34.75 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 -0.03 -1.21 -1.58 1.63 -1.84 -3.51 116.57 110.02 1ssn h LYS 97 Ca 0.00 0.00 0.13 0.00 -0.85 0.00 0.00 60.65 59.94 1ssn h LYS 97 Cb 0.00 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.59 1ssn h LYS 97 CO 0.00 0.65 -0.32 1.17 -3.45 0.00 0.00 179.45 177.49 1ssn n LYS 98 N -4.71 -1.13 -1.95 1.90 4.81 -0.39 -4.84 118.16 111.85 1ssn n LYS 98 Ca -0.08 0.84 -0.42 0.00 -0.87 0.00 0.00 58.31 57.78 1ssn n LYS 98 Cb 0.34 -1.35 -0.03 0.00 0.02 0.00 0.00 35.03 34.01 1ssn n LYS 98 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1ssn s GLU 99 N -2.41 4.20 -0.19 1.64 2.12 -1.23 -4.20 118.70 118.63 1ssn s GLU 99 Ca 0.00 2.31 -0.05 0.00 0.36 0.00 0.00 54.97 57.59 1ssn s GLU 99 Cb 0.00 -3.58 0.07 0.00 0.26 0.00 0.00 34.13 30.88 1ssn s GLU 99 CO 0.00 -0.72 0.11 -1.21 -0.54 0.00 0.00 175.26 172.90 1ssn s GLU 100 N 2.57 0.09 -1.07 4.30 2.02 -1.25 -4.98 118.70 120.38 1ssn s GLU 100 Ca 0.73 -0.11 -0.22 0.00 0.02 0.00 0.00 54.97 55.39 1ssn s GLU 100 Cb -0.39 -1.69 0.01 0.00 0.10 0.00 0.00 34.13 32.16 1ssn s GLU 100 CO 0.32 -0.71 1.70 0.99 0.02 0.00 0.00 175.26 177.58 1ssn s THR 101 N 2.15 3.79 -0.78 3.63 2.01 -1.26 -3.63 115.64 121.55 1ssn s THR 101 Ca 0.03 -0.93 -0.26 0.00 0.31 0.00 0.00 61.69 60.84 1ssn s THR 101 Cb -0.16 -4.76 0.04 0.00 0.01 0.00 0.00 72.50 67.63 1ssn s THR 101 CO -0.13 -1.58 1.29 -0.75 -0.69 0.00 0.00 174.62 172.77 1ssn s LYS 102 N 5.54 3.25 -1.37 4.92 2.47 -1.03 -4.90 119.74 128.62 1ssn s LYS 102 Ca 0.57 -0.42 -0.08 0.00 -1.56 0.00 0.00 55.97 54.47 1ssn s LYS 102 Cb -0.01 -4.38 0.10 0.00 -1.46 0.00 0.00 37.83 32.08 1ssn s LYS 102 CO -0.01 -2.14 2.28 -1.13 0.16 0.00 0.00 175.35 174.52 1ssn n SER 103 N 9.20 6.70 -4.74 1.43 3.41 -1.26 -2.75 113.62 125.61 1ssn n SER 103 Ca 0.08 -3.01 -0.41 0.00 -0.26 0.00 0.00 58.87 55.26 1ssn n SER 103 Cb 0.49 -1.46 -0.02 0.00 -0.26 0.00 0.00 64.21 62.95 1ssn n SER 103 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1ssn s PHE 104 N 0.35 3.05 0.00 7.33 5.36 -0.73 -4.90 117.98 128.45 1ssn s PHE 104 Ca 0.51 1.04 0.00 0.00 -0.96 0.00 0.00 56.93 57.52 1ssn s PHE 104 Cb 0.15 -3.79 0.00 0.00 -0.34 0.00 0.00 43.02 39.04 1ssn s PHE 104 CO -0.05 -2.58 0.00 -0.35 -1.46 0.00 0.00 175.22 170.77 1ssn n PRO 105 N 2.44 0.00 -3.52 10.12 -0.04 -1.26 -0.87 135.00 141.87 1ssn n PRO 105 Ca 0.07 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.37 1ssn n PRO 105 Cb 0.40 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.81 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 0.00 0.09 0.52 1.10 -1.21 -3.55 121.20 118.15 1ssn s ILE 106 Ca 0.00 0.00 0.07 0.00 -0.51 0.00 0.00 60.65 60.21 1ssn s ILE 106 Cb 0.00 -1.00 -0.03 0.00 0.15 0.00 0.00 42.46 41.58 1ssn s ILE 106 CO 0.00 0.00 -0.18 0.42 -2.11 0.00 0.00 174.94 173.07 1ssn s THR 107 N -1.56 1.49 -0.00 4.00 -4.23 -1.26 -4.95 115.64 109.13 1ssn s THR 107 Ca -0.07 -1.46 -0.05 0.00 -1.18 0.00 0.00 61.69 58.92 1ssn s THR 107 Cb -0.00 -1.38 -0.03 0.00 1.34 0.00 0.00 72.50 72.43 1ssn s THR 107 CO 0.05 -0.12 0.61 -0.08 -0.54 0.00 0.00 174.62 174.54 1ssn h GLU 108 N 4.15 -0.18 -4.41 3.99 4.22 -1.95 -1.55 114.58 118.85 1ssn h GLU 108 Ca -0.44 0.01 -0.71 0.00 0.08 0.00 0.00 59.36 58.30 1ssn h GLU 108 Cb 1.18 0.04 -0.31 0.00 0.50 0.00 0.00 28.75 30.17 1ssn h GLU 108 CO 0.40 -0.12 -0.47 0.15 -2.18 0.00 0.00 179.01 176.79 1ssn s LYS 109 N -2.54 2.38 0.00 1.92 3.01 -1.26 -4.08 119.74 119.17 1ssn s LYS 109 Ca -0.03 -1.68 0.00 0.00 -1.01 0.00 0.00 55.97 53.25 1ssn s LYS 109 Cb 0.00 -3.77 0.00 0.00 -1.01 0.00 0.00 37.83 33.06 1ssn s LYS 109 CO 0.08 -1.08 0.00 0.41 0.51 0.00 0.00 175.35 175.28 1ssn n GLY 110 N 4.82 1.27 3.80 -3.33 0.00 -1.26 -5.14 105.19 105.34 1ssn n GLY 110 Ca -0.07 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 0.79 0.12 0.08 1.61 -0.71 -1.25 -5.09 117.98 113.53 1ssn s PHE 111 Ca 0.00 -0.75 0.02 0.00 -1.04 0.00 0.00 56.93 55.16 1ssn s PHE 111 Cb 0.00 0.78 -0.04 0.00 -1.21 0.00 0.00 43.02 42.55 1ssn s PHE 111 CO 0.00 -1.50 0.15 0.08 -1.34 0.00 0.00 175.22 172.61 1ssn s VAL 112 N -2.57 4.96 -0.20 -2.49 1.01 -1.26 -0.87 120.40 118.97 1ssn s VAL 112 Ca 0.16 -0.61 -0.34 0.00 0.00 0.00 0.00 61.98 61.19 1ssn s VAL 112 Cb -0.05 -3.42 -0.10 0.00 0.00 0.00 0.00 36.38 32.80 1ssn s VAL 112 CO 0.11 0.10 2.04 0.52 0.00 0.00 0.00 175.10 177.88 1ssn n VAL 113 N 0.27 0.40 -2.82 2.92 0.31 -1.07 -4.71 118.33 113.64 1ssn n VAL 113 Ca -0.07 -0.22 -0.34 0.00 -0.01 0.00 0.00 64.34 63.70 1ssn n VAL 113 Cb 0.52 -1.92 -0.07 0.00 -0.91 0.00 0.00 33.84 31.46 1ssn n VAL 113 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1ssn s PRO 114 N 5.20 4.30 0.59 5.55 0.04 -1.26 -4.06 135.00 145.35 1ssn s PRO 114 Ca 1.00 1.16 0.02 0.00 0.04 0.00 0.00 61.00 63.21 1ssn s PRO 114 Cb -0.69 -2.31 0.11 0.00 0.04 0.00 0.00 34.50 31.65 1ssn s PRO 114 CO 0.48 0.04 0.81 -0.40 0.04 0.00 0.00 177.00 177.97 1ssn n ASP 115 N -0.38 1.29 -4.77 6.66 5.75 -1.26 -4.91 116.55 118.93 1ssn n ASP 115 Ca 0.06 -2.04 -0.30 0.00 -0.01 0.00 0.00 54.79 52.50 1ssn n ASP 115 Cb 0.53 -0.50 0.11 0.00 -1.03 0.00 0.00 41.12 40.23 1ssn n ASP 115 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1ssn s LEU 116 N 0.00 2.40 0.05 -2.12 2.01 -1.26 -5.02 118.68 114.74 1ssn s LEU 116 Ca 0.55 1.35 0.00 0.00 0.01 0.00 0.00 54.13 56.04 1ssn s LEU 116 Cb -0.03 -3.86 0.00 0.00 0.01 0.00 0.00 46.19 42.31 1ssn s LEU 116 CO 0.36 -2.30 0.00 -0.24 1.01 0.00 0.00 176.35 175.19 1ssn n SER 117 N -3.65 -0.11 0.05 2.29 2.88 -1.26 -5.09 113.62 108.74 1ssn n SER 117 Ca 0.07 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1ssn n SER 117 Cb 0.56 0.18 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 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 -2.66 0.00 -0.32 -1.46 0.00 -1.26 -5.01 120.64 109.93 1ssn n GLU 118 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 57.16 57.35 1ssn n GLU 118 Cb 0.00 0.00 0.38 0.00 0.00 0.00 0.00 31.44 31.82 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 0.00 0.36 -3.59 4.31 2.07 -2.01 -3.42 115.15 112.86 1ssn h HIS 119 Ca 0.00 0.05 -0.44 0.00 -2.85 0.00 0.00 60.37 57.14 1ssn h HIS 119 Cb 0.00 -0.00 -0.14 0.00 2.57 0.00 0.00 27.41 29.84 1ssn h HIS 119 CO 0.00 -0.36 -0.56 0.96 -3.07 0.00 0.00 177.93 174.89 1ssn s ILE 120 N -5.84 0.50 -0.17 6.12 -4.36 -1.26 -4.72 121.20 111.47 1ssn s ILE 120 Ca -0.11 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.24 1ssn s ILE 120 Cb 0.29 -2.53 -0.09 0.00 1.25 0.00 0.00 42.46 41.38 1ssn s ILE 120 CO 0.78 0.00 -0.19 1.17 0.24 0.00 0.00 174.94 176.94 1ssn n LYS 121 N -0.63 0.40 -4.02 0.37 0.00 -1.26 -4.69 118.16 108.33 1ssn n LYS 121 Ca -0.01 0.13 -0.31 0.00 0.00 0.00 0.00 58.31 58.13 1ssn n LYS 121 Cb 0.65 -1.24 -0.15 0.00 0.00 0.00 0.00 35.03 34.29 1ssn n LYS 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1ssn s ASN 122 N -6.12 4.69 0.07 3.14 2.20 -1.26 -4.85 114.94 112.81 1ssn s ASN 122 Ca -0.24 -2.02 -0.36 0.00 -0.94 0.00 0.00 52.86 49.29 1ssn s ASN 122 Cb 0.08 -1.59 -0.19 0.00 -2.00 0.00 0.00 41.25 37.55 1ssn s ASN 122 CO 0.35 -0.35 1.57 -0.65 -2.94 0.00 0.00 177.10 175.09 1ssn h PRO 123 N 7.65 -1.12 -4.81 3.55 0.11 -1.93 -3.38 132.00 132.07 1ssn h PRO 123 Ca -0.07 0.08 -0.06 0.00 0.11 0.00 0.00 66.00 66.06 1ssn h PRO 123 Cb 1.02 0.25 0.05 0.00 0.11 0.00 0.00 31.00 32.43 1ssn h PRO 123 CO 0.51 -0.75 -0.20 0.41 -0.21 0.00 0.00 178.00 177.76 1ssn n GLY 124 N -1.61 -0.90 3.77 -0.55 0.00 -1.26 -2.74 105.19 101.91 1ssn n GLY 124 Ca -0.14 0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1ssn n GLY 124 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ssn s PHE 125 N -3.09 3.05 -0.39 1.61 0.40 -0.49 -1.78 117.98 117.29 1ssn s PHE 125 Ca 0.11 1.56 0.01 0.00 -0.60 0.00 0.00 56.93 58.00 1ssn s PHE 125 Cb -0.01 -3.37 0.13 0.00 0.51 0.00 0.00 43.02 40.27 1ssn s PHE 125 CO 0.56 -1.30 0.19 -0.80 0.70 0.00 0.00 175.22 174.57 1ssn s ASN 126 N -1.21 3.65 -1.43 1.36 0.01 -1.26 -2.54 114.94 113.51 1ssn s ASN 126 Ca 0.58 -2.25 -0.08 0.00 -0.71 0.00 0.00 52.86 50.40 1ssn s ASN 126 Cb -0.30 -0.87 0.05 0.00 0.41 0.00 0.00 41.25 40.55 1ssn s ASN 126 CO 0.37 -0.32 2.46 0.18 -1.51 0.00 0.00 177.10 178.28 1ssn n LEU 127 N 4.02 7.91 -4.64 0.60 7.99 -0.64 -1.97 117.00 130.27 1ssn n LEU 127 Ca 0.06 -4.60 -0.36 0.00 -0.01 0.00 0.00 56.01 51.10 1ssn n LEU 127 Cb 0.37 -1.48 -0.10 0.00 -0.11 0.00 0.00 43.42 42.11 1ssn n LEU 127 CO 0.19 1.84 -0.19 -0.63 -1.51 0.00 0.00 177.39 177.08 1ssn s ILE 128 N 0.64 5.20 0.24 -0.08 1.09 -1.25 -3.00 121.20 124.05 1ssn s ILE 128 Ca 0.56 0.12 -0.01 0.00 -1.10 0.00 0.00 60.65 60.22 1ssn s ILE 128 Cb 0.16 -3.42 -0.03 0.00 -1.06 0.00 0.00 42.46 38.11 1ssn s ILE 128 CO -0.07 0.36 0.23 -0.89 -0.10 0.00 0.00 174.94 174.47 1ssn s THR 129 N 1.03 0.00 -0.10 2.92 2.01 -1.24 -4.34 115.64 115.91 1ssn s THR 129 Ca 0.07 -1.91 0.02 0.00 0.31 0.00 0.00 61.69 60.18 1ssn s THR 129 Cb -0.14 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 1ssn s THR 129 CO 0.04 0.00 -0.18 -0.75 -0.69 0.00 0.00 174.62 173.04 1ssn s LYS 130 N -3.91 3.10 0.12 4.92 2.36 -1.26 -0.78 119.74 124.29 1ssn s LYS 130 Ca 0.37 -0.77 0.05 0.00 -2.55 0.00 0.00 55.97 53.07 1ssn s LYS 130 Cb 0.05 -2.45 -0.04 0.00 -1.05 0.00 0.00 37.83 34.34 1ssn s LYS 130 CO 0.16 0.26 -0.13 0.14 1.55 0.00 0.00 175.35 177.33 1ssn s VAL 131 N 0.18 1.24 -0.46 4.02 -7.23 -0.82 -3.64 120.40 113.69 1ssn s VAL 131 Ca -0.11 -1.73 -0.12 0.00 -1.81 0.00 0.00 61.98 58.21 1ssn s VAL 131 Cb -0.16 -1.52 0.09 0.00 0.56 0.00 0.00 36.38 35.35 1ssn s VAL 131 CO 0.06 -0.47 0.35 -0.69 -0.31 0.00 0.00 175.10 174.04 1ssn s VAL 132 N -2.29 4.69 0.19 1.32 1.01 -0.51 -2.25 120.40 122.56 1ssn s VAL 132 Ca 0.09 -1.37 -0.28 0.00 0.00 0.00 0.00 61.98 60.42 1ssn s VAL 132 Cb -0.04 -3.90 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 1ssn s VAL 132 CO 0.02 -0.62 0.89 -0.63 0.00 0.00 0.00 175.10 174.76 1ssn s ILE 133 N 1.51 4.24 -0.19 2.22 1.01 0.07 -1.43 121.20 128.62 1ssn s ILE 133 Ca 0.04 1.96 -0.08 0.00 0.00 0.00 0.00 60.65 62.56 1ssn s ILE 133 Cb -0.25 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 1ssn s ILE 133 CO 0.03 0.48 0.09 -0.70 0.00 0.00 0.00 174.94 174.84 1ssn s GLU 134 N -0.97 4.02 -1.33 2.79 2.56 -1.26 -4.52 118.70 119.99 1ssn s GLU 134 Ca 0.40 -0.32 -0.14 0.00 0.00 0.00 0.00 54.97 54.92 1ssn s GLU 134 Cb -0.25 -3.30 0.11 0.00 2.00 0.00 0.00 34.13 32.69 1ssn s GLU 134 CO 0.30 0.24 1.87 1.17 -0.56 0.00 0.00 175.26 178.28 1ssn n LYS 135 N 3.67 3.24 -0.55 4.30 0.00 -1.26 -2.05 118.16 125.50 1ssn n LYS 135 Ca -0.16 -3.24 0.00 0.00 0.00 0.00 0.00 58.31 54.91 1ssn n LYS 135 Cb 0.52 -3.19 0.00 0.00 0.00 0.00 0.00 35.03 32.36 1ssn n LYS 135 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57