#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 -6.69 0.00 -3.46 3.41 -1.26 -4.54 113.62 101.09 1ssn n SER 2 Ca 0.00 1.26 0.00 0.00 -0.26 0.00 0.00 58.87 59.87 1ssn n SER 2 Cb 0.00 -3.63 0.00 0.00 -0.26 0.00 0.00 64.21 60.32 1ssn n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ssn n SER 3 N -1.80 0.00 -1.13 4.04 3.41 -1.26 -4.26 113.62 112.61 1ssn n SER 3 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 1ssn n SER 3 Cb 0.23 -0.99 -0.03 0.00 -0.26 0.00 0.00 64.21 63.15 1ssn n SER 3 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1ssn n PHE 4 N -2.00 -0.52 -3.36 7.33 1.16 -1.26 -4.66 117.46 114.15 1ssn n PHE 4 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1ssn n PHE 4 Cb 0.00 -1.96 0.00 0.00 -1.61 0.00 0.00 39.48 35.91 1ssn n PHE 4 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1ssn n ASP 5 N 0.12 0.00 -0.88 5.98 8.00 -1.26 -4.83 116.55 123.69 1ssn n ASP 5 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1ssn n ASP 5 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1ssn n ASP 5 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1ssn n LYS 6 N 11.97 0.00 -1.69 -1.24 2.85 -1.26 -4.70 118.16 124.08 1ssn n LYS 6 Ca 0.00 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.83 1ssn n LYS 6 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 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 -0.42 0.83 -0.77 2.58 0.00 -1.26 -3.04 107.32 105.24 1ssn s GLY 7 Ca 0.00 0.86 -0.00 0.00 0.00 0.00 0.00 44.72 45.57 1ssn s GLY 7 CO 0.00 3.62 0.69 0.28 0.00 0.00 0.00 173.10 177.69 1ssn n LYS 8 N 8.33 -1.38 -0.05 2.90 5.02 -1.26 -4.96 118.16 126.77 1ssn n LYS 8 Ca 0.26 1.35 -0.14 0.00 -2.02 0.00 0.00 58.31 57.76 1ssn n LYS 8 Cb 0.44 -5.17 -0.08 0.00 -0.02 0.00 0.00 35.03 30.20 1ssn n LYS 8 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1ssn h TYR 9 N 0.27 0.46 0.00 2.13 3.20 -1.72 -3.48 116.97 117.84 1ssn h TYR 9 Ca -0.13 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.59 1ssn h TYR 9 Cb 1.08 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.26 1ssn h TYR 9 CO 0.21 0.82 0.00 1.63 -1.64 0.00 0.00 178.16 179.18 1ssn n LYS 10 N -4.50 -0.73 0.00 1.82 4.76 -0.53 -4.68 118.16 114.30 1ssn n LYS 10 Ca -0.07 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1ssn n LYS 10 Cb 0.41 -4.13 0.00 0.00 -1.84 0.00 0.00 35.03 29.47 1ssn n LYS 10 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1ssn n LYS 11 N -1.08 0.00 0.00 1.97 4.81 -1.19 -3.39 118.16 119.28 1ssn n LYS 11 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1ssn n LYS 11 Cb 0.18 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.23 1ssn n LYS 11 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ssn n GLY 12 N 0.00 -1.55 2.34 3.14 0.00 -1.26 -5.09 105.19 102.77 1ssn n GLY 12 Ca 0.00 0.76 -0.24 0.00 0.00 0.00 0.00 46.02 46.54 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 0.00 1.75 -1.02 1.61 8.00 -1.22 -5.02 116.55 120.64 1ssn n ASP 13 Ca 0.00 -3.07 0.10 0.00 0.71 0.00 0.00 54.79 52.53 1ssn n ASP 13 Cb 0.00 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 40.44 1ssn n ASP 13 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ssn n ASP 14 N 0.82 -6.08 -3.15 -2.24 8.00 -1.26 -4.74 116.55 107.89 1ssn n ASP 14 Ca 0.25 0.83 -0.12 0.00 0.71 0.00 0.00 54.79 56.46 1ssn n ASP 14 Cb 0.51 -2.33 -0.02 0.00 -0.02 0.00 0.00 41.12 39.27 1ssn n ASP 14 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ssn s ALA 15 N -1.90 0.14 0.42 2.24 0.00 -1.26 -5.05 121.76 116.35 1ssn s ALA 15 Ca 0.00 -1.19 -0.23 0.00 0.00 0.00 0.00 51.96 50.54 1ssn s ALA 15 Cb 0.00 0.97 -0.09 0.00 0.00 0.00 0.00 23.12 23.99 1ssn s ALA 15 CO 0.00 -0.87 1.02 -1.12 0.00 0.00 0.00 175.76 174.78 1ssn s SER 16 N -3.16 6.73 0.30 0.00 0.01 -1.26 -4.79 113.70 111.52 1ssn s SER 16 Ca 0.24 1.92 0.00 0.00 1.31 0.00 0.00 55.95 59.42 1ssn s SER 16 Cb -0.02 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1ssn s SER 16 CO 0.16 -0.51 0.00 -1.22 0.41 0.00 0.00 173.24 172.09 1ssn n TYR 17 N -0.38 -2.75 -2.73 2.43 4.01 -1.26 -5.04 117.16 111.45 1ssn n TYR 17 Ca 0.06 1.40 -0.00 0.00 -0.16 0.00 0.00 57.90 59.20 1ssn n TYR 17 Cb 0.51 -2.50 -0.00 0.00 -0.31 0.00 0.00 39.34 37.04 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 -3.60 -3.94 -0.97 -0.72 7.35 -1.26 -4.79 117.46 109.52 1ssn n PHE 18 Ca -0.01 1.78 0.12 0.00 -0.76 0.00 0.00 57.45 58.58 1ssn n PHE 18 Cb 0.50 -3.94 -0.06 0.00 0.35 0.00 0.00 39.48 36.33 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 0.79 -2.23 -2.27 -4.13 1.02 -1.26 -4.50 120.64 108.05 1ssn n GLU 19 Ca -0.02 1.81 -0.33 0.00 -0.02 0.00 0.00 57.16 58.60 1ssn n GLU 19 Cb 0.05 -2.62 -0.04 0.00 -0.02 0.00 0.00 31.44 28.82 1ssn n GLU 19 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1ssn s PRO 20 N -3.75 3.01 0.03 3.49 0.04 -1.25 -4.87 135.00 131.69 1ssn s PRO 20 Ca 0.00 -0.61 -0.29 0.00 0.04 0.00 0.00 61.00 60.14 1ssn s PRO 20 Cb 0.00 -5.15 -0.16 0.00 0.04 0.00 0.00 34.50 29.23 1ssn s PRO 20 CO 0.00 -2.84 1.24 1.79 0.04 0.00 0.00 177.00 177.23 1ssn h THR 21 N 7.03 0.00 0.00 1.26 1.35 -1.83 -3.46 112.91 117.26 1ssn h THR 21 Ca 0.12 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1ssn h THR 21 Cb 1.01 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 1ssn h THR 21 CO 1.30 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.18 1ssn n GLY 22 N -0.98 1.05 3.76 5.82 0.00 -1.26 -5.01 105.19 108.56 1ssn n GLY 22 Ca -0.13 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.46 1ssn n GLY 22 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ssn s PRO 23 N -2.00 3.21 0.20 1.61 0.02 -1.25 -4.40 135.00 132.40 1ssn s PRO 23 Ca 0.00 1.81 -0.23 0.00 0.02 0.00 0.00 61.00 62.60 1ssn s PRO 23 Cb 0.00 -2.06 0.05 0.00 0.02 0.00 0.00 34.50 32.50 1ssn s PRO 23 CO 0.00 -1.01 0.81 1.52 -0.33 0.00 0.00 177.00 177.99 1ssn s TYR 24 N -1.59 -0.21 -0.28 6.54 -0.85 -0.95 -4.42 117.35 115.59 1ssn s TYR 24 Ca 0.73 -0.15 -0.02 0.00 -0.52 0.00 0.00 57.07 57.12 1ssn s TYR 24 Cb -0.30 0.66 0.12 0.00 0.38 0.00 0.00 41.96 42.82 1ssn s TYR 24 CO 0.33 -1.00 0.25 -1.17 -1.52 0.00 0.00 175.55 172.44 1ssn s LEU 25 N -2.89 -0.02 -0.01 -3.49 0.20 -0.33 -1.89 118.68 110.25 1ssn s LEU 25 Ca 0.10 -0.85 -0.21 0.00 0.69 0.00 0.00 54.13 53.86 1ssn s LEU 25 Cb -0.03 0.27 -0.05 0.00 -0.43 0.00 0.00 46.19 45.95 1ssn s LEU 25 CO 0.02 -0.40 0.63 -0.04 -0.29 0.00 0.00 176.35 176.27 1ssn s MET 26 N 2.29 4.36 -0.39 1.98 -1.94 -0.64 -1.97 119.30 122.99 1ssn s MET 26 Ca 0.09 0.78 0.01 0.00 -1.71 0.00 0.00 55.69 54.87 1ssn s MET 26 Cb -0.15 -3.36 0.14 0.00 2.01 0.00 0.00 34.83 33.48 1ssn s MET 26 CO -0.32 0.31 0.25 0.08 -0.01 0.00 0.00 175.02 175.32 1ssn s VAL 27 N -0.01 0.54 0.22 -6.03 1.01 -1.03 -1.63 120.40 113.48 1ssn s VAL 27 Ca 0.33 -2.14 -0.21 0.00 0.00 0.00 0.00 61.98 59.96 1ssn s VAL 27 Cb -0.18 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 34.85 1ssn s VAL 27 CO 0.18 -1.01 0.65 0.20 0.00 0.00 0.00 175.10 175.11 1ssn s ASN 28 N 0.66 -0.37 0.23 3.32 -0.87 -1.25 -4.56 114.94 112.10 1ssn s ASN 28 Ca 0.21 -0.37 -0.04 0.00 -1.57 0.00 0.00 52.86 51.08 1ssn s ASN 28 Cb -0.18 0.66 -0.05 0.00 -0.02 0.00 0.00 41.25 41.66 1ssn s ASN 28 CO -0.03 -1.17 0.47 0.68 -2.57 0.00 0.00 177.10 174.48 1ssn s VAL 29 N -3.85 5.09 -0.92 1.60 -7.23 -1.26 -4.02 120.40 109.81 1ssn s VAL 29 Ca 0.07 -0.02 -0.23 0.00 -1.81 0.00 0.00 61.98 60.00 1ssn s VAL 29 Cb -0.03 -3.70 0.06 0.00 0.56 0.00 0.00 36.38 33.27 1ssn s VAL 29 CO -0.02 -0.18 1.31 -0.89 -0.31 0.00 0.00 175.10 175.01 1ssn s THR 30 N -1.91 4.09 -1.21 5.32 2.01 -1.05 -2.61 115.64 120.29 1ssn s THR 30 Ca 0.42 -0.69 -0.15 0.00 0.31 0.00 0.00 61.69 61.59 1ssn s THR 30 Cb -0.11 -4.94 0.15 0.00 0.01 0.00 0.00 72.50 67.60 1ssn s THR 30 CO 0.28 -1.79 1.47 -0.83 -0.69 0.00 0.00 174.62 173.05 1ssn s GLY 31 N 4.37 2.24 0.48 4.40 0.00 -0.82 -2.29 107.32 115.70 1ssn s GLY 31 Ca 0.39 -3.24 -0.00 0.00 0.00 0.00 0.00 44.72 41.87 1ssn s GLY 31 CO -0.04 2.17 0.71 -1.34 0.00 0.00 0.00 173.10 174.61 1ssn s VAL 32 N 2.13 3.70 0.00 1.40 -7.23 -1.10 -1.08 120.40 118.21 1ssn s VAL 32 Ca 0.44 -0.48 0.00 0.00 -1.81 0.00 0.00 61.98 60.13 1ssn s VAL 32 Cb -0.02 -3.38 0.00 0.00 0.56 0.00 0.00 36.38 33.54 1ssn s VAL 32 CO 0.01 -0.28 0.00 -0.90 -0.31 0.00 0.00 175.10 173.62 1ssn n ASP 33 N -2.18 0.00 -0.08 4.85 5.75 -1.08 -1.53 116.55 122.28 1ssn n ASP 33 Ca 0.03 -0.21 -0.06 0.00 -0.01 0.00 0.00 54.79 54.54 1ssn n ASP 33 Cb 0.58 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.67 1ssn n ASP 33 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 1ssn h SER 34 N 0.00 -0.36 0.00 -1.12 0.87 -1.93 -3.38 113.55 107.63 1ssn h SER 34 Ca 0.00 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1ssn h SER 34 Cb 0.00 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1ssn h SER 34 CO 0.00 -0.13 0.00 0.29 -0.53 0.00 0.00 176.83 176.46 1ssn n LYS 35 N -5.28 0.00 0.00 2.24 5.02 -1.26 -5.00 118.16 113.87 1ssn n LYS 35 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ssn n LYS 35 Cb 0.20 -0.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.80 1ssn n LYS 35 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ssn n GLY 36 N 2.01 0.00 3.20 0.72 0.00 -1.26 -5.12 105.19 104.74 1ssn n GLY 36 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 5.13 -0.30 1.61 0.01 -1.26 -4.91 114.94 115.21 1ssn s ASN 37 Ca 0.00 -1.36 -0.29 0.00 -0.71 0.00 0.00 52.86 50.50 1ssn s ASN 37 Cb 0.00 -1.80 -0.01 0.00 0.41 0.00 0.00 41.25 39.85 1ssn s ASN 37 CO 0.00 -0.34 1.62 -0.70 -1.51 0.00 0.00 177.10 176.17 1ssn s GLU 38 N 1.29 3.61 -0.00 -0.60 2.12 -1.26 -2.65 118.70 121.21 1ssn s GLU 38 Ca -0.01 1.42 -0.21 0.00 0.36 0.00 0.00 54.97 56.53 1ssn s GLU 38 Cb -0.20 -4.08 -0.20 0.00 0.26 0.00 0.00 34.13 29.91 1ssn s GLU 38 CO -0.00 -1.52 1.16 -0.07 -0.54 0.00 0.00 175.26 174.29 1ssn h LEU 39 N 12.39 0.39 -7.81 2.70 4.07 -1.45 -3.48 115.31 122.12 1ssn h LEU 39 Ca -0.32 -0.67 -0.17 0.00 0.08 0.00 0.00 57.88 56.79 1ssn h LEU 39 Cb 1.15 -0.12 -0.23 0.00 1.08 0.00 0.00 40.66 42.54 1ssn h LEU 39 CO 1.03 1.01 -0.61 -1.48 -1.08 0.00 0.00 178.44 177.31 1ssn s LEU 40 N -8.64 1.86 0.39 1.67 0.05 -1.15 -4.31 118.68 108.55 1ssn s LEU 40 Ca -0.14 -0.22 -0.02 0.00 0.05 0.00 0.00 54.13 53.79 1ssn s LEU 40 Cb 0.03 0.34 -0.04 0.00 -2.05 0.00 0.00 46.19 44.48 1ssn s LEU 40 CO 0.78 -0.25 0.63 -0.44 -0.55 0.00 0.00 176.35 176.51 1ssn s SER 41 N -1.03 6.30 -0.31 1.48 0.01 -1.26 -1.95 113.70 116.94 1ssn s SER 41 Ca -0.11 0.64 -0.04 0.00 1.31 0.00 0.00 55.95 57.74 1ssn s SER 41 Cb -0.07 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 1ssn s SER 41 CO 0.00 -0.38 3.03 -0.81 0.41 0.00 0.00 173.24 175.49 1ssn n PRO 42 N -1.86 2.26 -3.44 12.44 -0.04 -1.07 -4.51 135.00 138.77 1ssn n PRO 42 Ca -0.03 -1.91 0.01 0.00 -0.04 0.00 0.00 63.50 61.54 1ssn n PRO 42 Cb 0.56 -2.09 -0.04 0.00 -0.04 0.00 0.00 33.50 31.89 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 -0.85 -0.75 0.00 0.54 -3.43 -1.26 -4.23 115.29 105.30 1ssn s HIS 43 Ca 0.61 1.31 0.00 0.00 -0.80 0.00 0.00 55.06 56.18 1ssn s HIS 43 Cb 0.36 0.45 0.00 0.00 -1.43 0.00 0.00 32.58 31.96 1ssn s HIS 43 CO -0.15 -0.37 0.00 2.48 -2.00 0.00 0.00 174.74 174.70 1ssn n TYR 44 N 4.97 -1.13 -2.42 0.38 4.11 -1.26 -4.15 117.16 117.67 1ssn n TYR 44 Ca -0.10 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.38 1ssn n TYR 44 Cb 0.52 0.23 -0.03 0.00 -0.00 0.00 0.00 39.34 40.06 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 -1.51 3.96 0.03 -3.48 1.01 -1.26 -1.45 120.40 117.70 1ssn s VAL 45 Ca 0.00 1.44 -0.07 0.00 0.00 0.00 0.00 61.98 63.35 1ssn s VAL 45 Cb 0.00 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 1ssn s VAL 45 CO 0.00 0.13 0.13 -0.70 0.00 0.00 0.00 175.10 174.66 1ssn s GLU 46 N 0.84 0.60 0.11 2.72 2.12 -1.26 -2.46 118.70 121.37 1ssn s GLU 46 Ca 0.58 -0.66 0.04 0.00 0.36 0.00 0.00 54.97 55.29 1ssn s GLU 46 Cb -0.30 0.24 -0.04 0.00 0.26 0.00 0.00 34.13 34.30 1ssn s GLU 46 CO 0.30 -0.16 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.69 1ssn s PHE 47 N -2.41 1.18 -0.21 5.30 0.08 -0.83 -4.77 117.98 116.31 1ssn s PHE 47 Ca -0.06 -0.62 0.00 0.00 0.12 0.00 0.00 56.93 56.37 1ssn s PHE 47 Cb -0.02 -0.63 0.22 0.00 -0.57 0.00 0.00 43.02 42.02 1ssn s PHE 47 CO -0.03 0.05 1.67 -0.35 -0.10 0.00 0.00 175.22 176.46 1ssn n PRO 48 N 0.55 1.56 -1.84 0.24 -0.04 -1.26 -1.19 135.00 133.02 1ssn n PRO 48 Ca -0.16 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 1ssn n PRO 48 Cb 0.57 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.20 -5.71 -3.48 0.52 3.06 -1.26 -4.65 119.36 108.03 1ssn n ILE 49 Ca 0.24 2.64 -0.25 0.00 -2.50 0.00 0.00 62.75 62.88 1ssn n ILE 49 Cb 0.77 -3.51 -0.13 0.00 0.54 0.00 0.00 39.64 37.31 1ssn n ILE 49 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 1ssn s LYS 50 N -2.76 0.30 0.99 9.51 1.02 -1.26 -5.03 119.74 122.51 1ssn s LYS 50 Ca 0.00 -0.53 -0.16 0.00 0.02 0.00 0.00 55.97 55.30 1ssn s LYS 50 Cb 0.00 -1.00 0.21 0.00 -0.52 0.00 0.00 37.83 36.52 1ssn s LYS 50 CO 0.00 -1.06 1.29 -1.25 -0.92 0.00 0.00 175.35 173.42 1ssn s PRO 51 N 2.02 0.39 0.00 -1.68 0.04 -1.26 -4.46 135.00 130.05 1ssn s PRO 51 Ca 0.11 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 60.78 1ssn s PRO 51 Cb -0.16 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1ssn s PRO 51 CO -0.29 -2.59 0.00 0.41 0.04 0.00 0.00 177.00 174.57 1ssn n GLY 52 N -3.38 2.75 3.76 0.56 0.00 -1.05 -5.01 105.19 102.82 1ssn n GLY 52 Ca 0.15 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.14 2.84 -0.44 2.61 -1.32 -1.26 -4.69 115.64 111.24 1ssn s THR 53 Ca 0.00 0.56 -0.29 0.00 -1.21 0.00 0.00 61.69 60.75 1ssn s THR 53 Cb 0.00 -3.25 0.02 0.00 -1.51 0.00 0.00 72.50 67.76 1ssn s THR 53 CO 0.00 -0.08 1.32 -0.89 -2.21 0.00 0.00 174.62 172.77 1ssn s THR 54 N -1.60 4.00 -0.82 5.08 2.01 -1.26 -3.00 115.64 120.05 1ssn s THR 54 Ca 0.72 1.01 -0.25 0.00 0.31 0.00 0.00 61.69 63.48 1ssn s THR 54 Cb -0.29 -4.34 0.05 0.00 0.01 0.00 0.00 72.50 67.93 1ssn s THR 54 CO 0.33 -0.85 1.26 -0.22 -0.69 0.00 0.00 174.62 174.45 1ssn s LEU 55 N 5.14 3.60 0.10 4.42 1.98 -0.12 -4.81 118.68 128.99 1ssn s LEU 55 Ca 0.57 -0.93 -0.09 0.00 -2.89 0.00 0.00 54.13 50.79 1ssn s LEU 55 Cb -0.11 -2.53 -0.00 0.00 0.66 0.00 0.00 46.19 44.21 1ssn s LEU 55 CO 0.32 -1.63 0.21 0.28 -1.89 0.00 0.00 176.35 173.65 1ssn s THR 56 N 5.03 0.13 0.20 3.68 -1.32 -1.26 -1.96 115.64 120.14 1ssn s THR 56 Ca 0.36 -1.18 -0.11 0.00 -1.21 0.00 0.00 61.69 59.55 1ssn s THR 56 Cb -0.07 -1.39 0.14 0.00 -1.51 0.00 0.00 72.50 69.67 1ssn s THR 56 CO 0.06 -0.60 1.86 0.07 -2.21 0.00 0.00 174.62 173.80 1ssn h LYS 57 N 2.71 0.94 0.00 7.08 2.10 -1.74 -1.94 116.57 125.73 1ssn h LYS 57 Ca -0.34 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 58.23 1ssn h LYS 57 Cb 1.20 -0.21 -0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1ssn h LYS 57 CO 0.55 0.64 -0.07 1.05 -2.00 0.00 0.00 179.45 179.62 1ssn h GLU 58 N 0.96 0.00 0.21 0.07 -0.00 -1.83 0.10 114.58 114.09 1ssn h GLU 58 Ca 0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.61 1ssn h GLU 58 Cb -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.67 1ssn h GLU 58 CO -0.05 0.07 -0.10 0.87 -0.00 0.00 0.00 179.01 179.80 1ssn h LYS 59 N 0.00 -0.27 -0.76 1.06 6.56 -1.76 -3.41 116.57 117.99 1ssn h LYS 59 Ca -0.00 0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 59.56 1ssn h LYS 59 Cb 0.36 0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.05 1ssn h LYS 59 CO 0.01 -0.09 0.30 0.82 -2.06 0.00 0.00 179.45 178.43 1ssn h ILE 60 N -1.05 1.25 -0.50 1.86 1.08 -0.87 -2.45 117.51 116.83 1ssn h ILE 60 Ca -0.03 -0.80 0.09 0.00 -0.39 0.00 0.00 64.86 63.73 1ssn h ILE 60 Cb 0.31 0.35 -0.08 0.00 -3.07 0.00 0.00 36.82 34.32 1ssn h ILE 60 CO 0.05 0.33 0.04 -0.33 -0.69 0.00 0.00 178.15 177.54 1ssn h GLU 61 N 1.11 0.15 0.04 2.37 5.08 -1.21 0.63 114.58 122.75 1ssn h GLU 61 Ca 0.25 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.33 1ssn h GLU 61 Cb 0.21 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.45 1ssn h GLU 61 CO -0.02 0.10 -1.11 0.10 -1.00 0.00 0.00 179.01 177.08 1ssn h TYR 62 N 0.16 1.03 -0.36 4.33 -0.00 -1.76 -3.31 116.97 117.07 1ssn h TYR 62 Ca 0.26 -0.59 -0.16 0.00 0.00 0.00 0.00 58.73 58.24 1ssn h TYR 62 Cb 0.38 -0.11 -0.01 0.00 0.00 0.00 0.00 36.73 36.99 1ssn h TYR 62 CO -0.28 1.43 -0.40 -0.92 -0.00 0.00 0.00 178.16 177.98 1ssn h TYR 63 N 0.36 1.06 -0.33 0.10 3.20 -0.88 0.29 116.97 120.76 1ssn h TYR 63 Ca -0.15 -0.32 -0.09 0.00 3.14 0.00 0.00 58.73 61.31 1ssn h TYR 63 Cb 1.77 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.80 1ssn h TYR 63 CO 0.11 1.13 -0.19 -0.24 -1.64 0.00 0.00 178.16 177.33 1ssn h VAL 64 N 0.71 1.26 -0.10 1.81 3.04 -1.08 -2.02 116.25 119.87 1ssn h VAL 64 Ca 0.05 -1.21 -0.17 0.00 -1.01 0.00 0.00 66.70 64.36 1ssn h VAL 64 Cb 0.99 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 31.47 1ssn h VAL 64 CO 0.10 0.40 -0.64 -0.08 -1.01 0.00 0.00 177.57 176.33 1ssn h GLU 65 N 0.55 0.39 -0.17 4.17 4.81 -1.57 -2.51 114.58 120.24 1ssn h GLU 65 Ca 0.09 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 1ssn h GLU 65 Cb 0.63 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1ssn h GLU 65 CO 0.04 0.90 -0.01 -1.49 -0.73 0.00 0.00 179.01 177.73 1ssn h TRP 66 N 0.28 0.34 -1.01 0.92 -0.00 -0.76 -0.37 115.95 115.37 1ssn h TRP 66 Ca -0.01 -0.06 0.08 0.00 -0.00 0.00 0.00 58.89 58.89 1ssn h TRP 66 Cb 1.19 -0.09 -0.07 0.00 -0.00 0.00 0.00 29.16 30.19 1ssn h TRP 66 CO 0.04 0.54 0.65 0.00 -0.00 0.00 0.00 178.44 179.67 1ssn h ALA 67 N 0.76 1.43 0.04 1.49 0.00 -1.39 -2.91 119.26 118.66 1ssn h ALA 67 Ca 0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ssn h ALA 67 Cb 0.41 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ssn h ALA 67 CO 0.01 0.41 -0.02 1.25 0.00 0.00 0.00 179.25 180.90 1ssn h LEU 68 N 1.15 -0.04 0.00 0.00 5.85 -1.28 -3.26 115.31 117.72 1ssn h LEU 68 Ca 0.45 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1ssn h LEU 68 Cb 0.23 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1ssn h LEU 68 CO -0.19 0.41 0.00 -0.90 -0.34 0.00 0.00 178.44 177.42 1ssn n ASP 69 N -4.90 0.00 -0.10 1.25 5.68 -0.16 -1.54 116.55 116.78 1ssn n ASP 69 Ca -0.08 -1.32 -0.09 0.00 -0.50 0.00 0.00 54.79 52.79 1ssn n ASP 69 Cb 0.24 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.20 1ssn n ASP 69 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ssn h ALA 70 N 2.61 0.41 0.00 2.12 0.00 -1.56 -3.41 119.26 119.44 1ssn h ALA 70 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1ssn h ALA 70 Cb 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1ssn h ALA 70 CO 0.00 -0.05 -0.91 2.41 0.00 0.00 0.00 179.25 180.70 1ssn n THR 71 N -4.78 0.33 -2.92 0.00 -1.04 -1.11 -4.91 114.28 99.85 1ssn n THR 71 Ca -0.01 0.05 -0.44 0.00 -2.04 0.00 0.00 64.05 61.61 1ssn n THR 71 Cb 0.09 -1.55 -0.01 0.00 -1.82 0.00 0.00 70.33 67.04 1ssn n THR 71 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ssn s ALA 72 N -2.04 3.81 0.00 2.41 0.00 -0.59 -3.19 121.76 122.17 1ssn s ALA 72 Ca -0.03 -3.20 0.00 0.00 0.00 0.00 0.00 51.96 48.74 1ssn s ALA 72 Cb 0.01 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 18.98 1ssn s ALA 72 CO 0.03 -2.86 0.00 2.48 0.00 0.00 0.00 175.76 175.42 1ssn n TYR 73 N 6.03 0.00 0.00 0.00 4.11 -1.26 -3.86 117.16 122.18 1ssn n TYR 73 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.25 1ssn n TYR 73 Cb 0.44 0.09 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 1ssn n TYR 73 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 1ssn n LYS 74 N -2.34 0.00 0.00 -3.48 4.81 -1.26 -3.58 118.16 112.32 1ssn n LYS 74 Ca 0.00 0.46 -0.08 0.00 -0.87 0.00 0.00 58.31 57.82 1ssn n LYS 74 Cb 0.28 -1.43 0.09 0.00 0.02 0.00 0.00 35.03 33.99 1ssn n LYS 74 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1ssn h GLU 75 N 0.00 0.54 -6.96 1.64 4.57 -1.93 -3.43 114.58 109.00 1ssn h GLU 75 Ca 0.00 -0.29 -0.56 0.00 -1.18 0.00 0.00 59.36 57.33 1ssn h GLU 75 Cb 0.00 0.02 0.14 0.00 -0.16 0.00 0.00 28.75 28.75 1ssn h GLU 75 CO 0.00 0.89 0.49 0.34 -1.18 0.00 0.00 179.01 179.54 1ssn n PHE 76 N -4.00 1.98 -3.67 0.92 7.35 -1.23 -1.52 117.46 117.28 1ssn n PHE 76 Ca -0.02 0.45 -0.14 0.00 -0.76 0.00 0.00 57.45 56.97 1ssn n PHE 76 Cb 0.54 -2.32 -0.08 0.00 0.35 0.00 0.00 39.48 37.97 1ssn n PHE 76 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1ssn s ARG 77 N -2.77 0.71 0.05 -4.13 3.52 -1.26 -4.43 118.95 110.63 1ssn s ARG 77 Ca 0.71 0.72 -0.21 0.00 -0.13 0.00 0.00 55.73 56.82 1ssn s ARG 77 Cb -0.43 0.34 -0.06 0.00 -1.56 0.00 0.00 34.95 33.24 1ssn s ARG 77 CO 0.50 -0.10 0.62 0.08 -0.81 0.00 0.00 175.30 175.59 1ssn s VAL 78 N 0.11 4.77 -0.11 7.11 1.01 -1.26 -4.09 120.40 127.95 1ssn s VAL 78 Ca -0.01 1.33 -0.11 0.00 0.00 0.00 0.00 61.98 63.18 1ssn s VAL 78 Cb -0.04 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 1ssn s VAL 78 CO 0.02 0.47 -0.23 0.52 0.00 0.00 0.00 175.10 175.88 1ssn n VAL 79 N 2.27 1.28 -3.24 2.92 0.31 -0.57 -4.89 118.33 116.42 1ssn n VAL 79 Ca -0.07 0.08 -0.01 0.00 -0.01 0.00 0.00 64.34 64.33 1ssn n VAL 79 Cb 0.51 -1.98 -0.04 0.00 -0.91 0.00 0.00 33.84 31.42 1ssn n VAL 79 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1ssn s GLU 80 N -2.51 0.49 -0.04 5.55 -6.30 -1.25 -5.00 118.70 109.64 1ssn s GLU 80 Ca -0.21 0.86 -0.22 0.00 -2.50 0.00 0.00 54.97 52.90 1ssn s GLU 80 Cb 0.05 0.22 -0.05 0.00 0.00 0.00 0.00 34.13 34.35 1ssn s GLU 80 CO 0.29 -0.61 0.64 -0.48 0.02 0.00 0.00 175.26 175.13 1ssn s LEU 81 N 2.75 4.36 -0.04 2.70 0.05 -1.26 -2.24 118.68 125.00 1ssn s LEU 81 Ca 0.17 1.16 -0.30 0.00 0.05 0.00 0.00 54.13 55.21 1ssn s LEU 81 Cb -0.15 -3.00 -0.04 0.00 -2.05 0.00 0.00 46.19 40.95 1ssn s LEU 81 CO -0.19 -0.01 1.32 -1.81 -0.55 0.00 0.00 176.35 175.11 1ssn s ASP 82 N 0.34 6.93 -0.03 1.48 1.11 -0.72 -4.96 116.67 120.82 1ssn s ASP 82 Ca 0.34 1.96 -0.23 0.00 0.18 0.00 0.00 52.55 54.81 1ssn s ASP 82 Cb -0.18 -2.56 -0.16 0.00 1.07 0.00 0.00 42.92 41.09 1ssn s ASP 82 CO 0.17 -0.68 1.01 1.55 1.18 0.00 0.00 175.17 178.40 1ssn h PRO 83 N 7.80 -0.25 -6.06 8.23 0.13 -1.96 -3.41 132.00 136.49 1ssn h PRO 83 Ca -0.35 0.02 -0.49 0.00 -0.87 0.00 0.00 66.00 64.31 1ssn h PRO 83 Cb 1.16 0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 1ssn h PRO 83 CO 0.90 0.16 1.17 -1.12 -0.23 0.00 0.00 178.00 178.88 1ssn s SER 84 N -5.38 5.71 0.20 1.44 0.01 -1.26 -4.78 113.70 109.65 1ssn s SER 84 Ca -0.13 -0.42 -0.30 0.00 1.31 0.00 0.00 55.95 56.41 1ssn s SER 84 Cb 0.01 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.60 1ssn s SER 84 CO 0.51 -2.15 1.39 0.00 0.41 0.00 0.00 173.24 173.41 1ssn s ALA 85 N 7.61 3.60 -0.44 1.44 0.00 -1.26 -4.64 121.76 128.06 1ssn s ALA 85 Ca 0.55 1.22 -0.18 0.00 0.00 0.00 0.00 51.96 53.55 1ssn s ALA 85 Cb -0.08 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.54 1ssn s ALA 85 CO 0.09 -0.65 0.50 -1.59 0.00 0.00 0.00 175.76 174.11 1ssn s LYS 86 N 0.08 3.12 -0.39 0.00 -2.85 -1.09 -2.64 119.74 115.96 1ssn s LYS 86 Ca 0.60 -0.78 -0.29 0.00 -1.00 0.00 0.00 55.97 54.50 1ssn s LYS 86 Cb -0.39 -4.00 0.02 0.00 -2.06 0.00 0.00 37.83 31.39 1ssn s LYS 86 CO 0.38 -0.96 1.16 0.42 0.10 0.00 0.00 175.35 176.45 1ssn s ILE 87 N 2.29 4.28 -0.75 3.79 1.09 -0.45 -3.29 121.20 128.17 1ssn s ILE 87 Ca 0.13 1.40 0.03 0.00 -1.10 0.00 0.00 60.65 61.11 1ssn s ILE 87 Cb -0.18 -4.45 0.30 0.00 -1.06 0.00 0.00 42.46 37.08 1ssn s ILE 87 CO 0.13 -0.73 1.11 -0.62 -0.10 0.00 0.00 174.94 174.74 1ssn n GLU 88 N 7.44 3.57 -2.02 2.79 1.02 -0.76 -2.30 120.64 130.38 1ssn n GLU 88 Ca 0.13 -4.73 -0.43 0.00 -0.02 0.00 0.00 57.16 52.11 1ssn n GLU 88 Cb 0.48 -2.32 -0.03 0.00 -0.02 0.00 0.00 31.44 29.55 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 -3.57 3.57 -0.41 2.62 0.11 -1.17 -3.65 120.40 117.91 1ssn s VAL 89 Ca 0.42 0.65 -0.05 0.00 -2.93 0.00 0.00 61.98 60.07 1ssn s VAL 89 Cb 0.19 -3.57 0.10 0.00 -1.53 0.00 0.00 36.38 31.57 1ssn s VAL 89 CO -0.06 -0.22 0.22 -0.89 -3.33 0.00 0.00 175.10 170.82 1ssn s THR 90 N 5.32 3.55 -0.56 5.04 2.01 -0.84 -1.94 115.64 128.21 1ssn s THR 90 Ca 0.75 -1.88 -0.20 0.00 0.31 0.00 0.00 61.69 60.68 1ssn s THR 90 Cb -0.28 -3.35 0.07 0.00 0.01 0.00 0.00 72.50 68.96 1ssn s THR 90 CO 0.31 -0.64 0.72 -0.72 -0.69 0.00 0.00 174.62 173.60 1ssn s TYR 91 N 1.22 2.96 -1.57 4.92 1.13 -1.26 -1.81 117.35 122.95 1ssn s TYR 91 Ca 0.06 -0.64 -0.10 0.00 -1.41 0.00 0.00 57.07 54.98 1ssn s TYR 91 Cb -0.23 -3.85 -0.05 0.00 -1.10 0.00 0.00 41.96 36.73 1ssn s TYR 91 CO -0.03 -1.23 2.79 0.66 -2.51 0.00 0.00 175.55 175.24 1ssn n TYR 92 N 6.54 2.61 -3.30 -3.49 4.02 -1.25 -3.48 117.16 118.80 1ssn n TYR 92 Ca -0.06 -3.05 -0.46 0.00 -0.01 0.00 0.00 57.90 54.31 1ssn n TYR 92 Cb 0.45 -2.44 -0.01 0.00 -0.02 0.00 0.00 39.34 37.31 1ssn n TYR 92 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1ssn s ASP 93 N 2.15 7.00 -0.43 7.72 2.15 -1.26 -3.94 116.67 130.06 1ssn s ASP 93 Ca 0.65 -3.04 -0.06 0.00 0.43 0.00 0.00 52.55 50.53 1ssn s ASP 93 Cb 0.17 -2.23 -0.16 0.00 -0.30 0.00 0.00 42.92 40.41 1ssn s ASP 93 CO -0.07 -0.49 3.29 2.29 -0.17 0.00 0.00 175.17 180.03 1ssn n LYS 94 N 3.66 2.50 0.00 4.34 2.85 -1.26 -1.42 118.16 128.82 1ssn n LYS 94 Ca 0.19 -1.59 0.00 0.00 -1.05 0.00 0.00 58.31 55.87 1ssn n LYS 94 Cb 0.44 -2.19 0.00 0.00 -0.65 0.00 0.00 35.03 32.63 1ssn n LYS 94 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1ssn n ASN 95 N 2.33 0.29 0.05 -5.58 3.02 -1.26 -5.03 115.26 109.08 1ssn n ASN 95 Ca 0.51 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.06 1ssn n ASN 95 Cb 0.70 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.87 1ssn n ASN 95 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1ssn n LYS 96 N -2.05 0.00 0.08 3.52 3.00 -1.24 -4.99 118.16 116.47 1ssn n LYS 96 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.39 1ssn n LYS 96 Cb 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.07 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 0.00 -0.93 1.64 3.64 -1.89 -3.51 116.57 115.53 1ssn h LYS 97 Ca 0.00 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 1ssn h LYS 97 Cb 0.00 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1ssn h LYS 97 CO 0.00 0.10 -0.33 1.17 -2.27 0.00 0.00 179.45 178.12 1ssn n LYS 98 N -2.77 -0.89 -1.64 1.90 4.81 -0.51 -4.79 118.16 114.27 1ssn n LYS 98 Ca -0.03 0.73 -0.50 0.00 -0.87 0.00 0.00 58.31 57.64 1ssn n LYS 98 Cb 0.65 -1.03 -0.05 0.00 0.02 0.00 0.00 35.03 34.62 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 -2.57 1.84 -3.59 1.64 2.13 -1.23 -4.48 120.64 114.38 1ssn n GLU 99 Ca -0.02 0.64 -0.23 0.00 0.66 0.00 0.00 57.16 58.21 1ssn n GLU 99 Cb 0.18 -2.59 -0.16 0.00 0.27 0.00 0.00 31.44 29.14 1ssn n GLU 99 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1ssn s GLU 100 N 4.55 0.07 -1.08 5.31 2.02 -1.26 -5.02 118.70 123.30 1ssn s GLU 100 Ca 0.97 0.07 -0.22 0.00 0.02 0.00 0.00 54.97 55.81 1ssn s GLU 100 Cb -0.75 -1.45 0.01 0.00 0.10 0.00 0.00 34.13 32.04 1ssn s GLU 100 CO 0.52 -0.61 1.72 0.99 0.02 0.00 0.00 175.26 177.90 1ssn s THR 101 N 2.19 3.79 -0.82 3.63 2.01 -1.26 -4.05 115.64 121.14 1ssn s THR 101 Ca 0.03 -0.95 -0.26 0.00 0.31 0.00 0.00 61.69 60.83 1ssn s THR 101 Cb -0.15 -4.75 0.04 0.00 0.01 0.00 0.00 72.50 67.65 1ssn s THR 101 CO -0.09 -1.56 1.31 -0.75 -0.69 0.00 0.00 174.62 172.85 1ssn s LYS 102 N 5.56 3.30 -0.06 4.92 2.47 -0.82 -4.86 119.74 130.25 1ssn s LYS 102 Ca 0.57 -0.52 -0.19 0.00 -1.56 0.00 0.00 55.97 54.27 1ssn s LYS 102 Cb -0.01 -4.51 -0.05 0.00 -1.46 0.00 0.00 37.83 31.80 1ssn s LYS 102 CO 0.00 -2.15 0.54 -1.12 0.16 0.00 0.00 175.35 172.78 1ssn s SER 103 N 4.07 6.84 -0.25 1.43 0.01 -1.26 -3.03 113.70 121.51 1ssn s SER 103 Ca 0.37 1.00 -0.26 0.00 1.31 0.00 0.00 55.95 58.38 1ssn s SER 103 Cb -0.06 -2.33 0.09 0.00 0.21 0.00 0.00 66.02 63.94 1ssn s SER 103 CO 0.08 0.05 0.86 0.72 0.41 0.00 0.00 173.24 175.36 1ssn s PHE 104 N 0.20 -0.63 1.12 2.43 -0.71 -0.97 -5.00 117.98 114.41 1ssn s PHE 104 Ca 0.29 1.49 -0.19 0.00 -1.04 0.00 0.00 56.93 57.49 1ssn s PHE 104 Cb -0.17 0.33 0.26 0.00 -1.21 0.00 0.00 43.02 42.23 1ssn s PHE 104 CO 0.14 -0.33 1.21 -1.25 -1.34 0.00 0.00 175.22 173.65 1ssn s PRO 105 N 0.13 -0.60 0.01 1.99 0.04 -1.26 -1.34 135.00 133.97 1ssn s PRO 105 Ca 0.00 -0.29 0.01 0.00 0.04 0.00 0.00 61.00 60.77 1ssn s PRO 105 Cb -0.04 -1.69 -0.01 0.00 0.04 0.00 0.00 34.50 32.80 1ssn s PRO 105 CO -0.01 -3.26 -0.04 -1.50 0.04 0.00 0.00 177.00 172.23 1ssn s ILE 106 N -3.41 0.24 0.60 0.56 1.10 -1.08 -4.80 121.20 114.41 1ssn s ILE 106 Ca 0.73 -0.41 0.10 0.00 -0.51 0.00 0.00 60.65 60.56 1ssn s ILE 106 Cb -0.06 -0.27 0.10 0.00 0.15 0.00 0.00 42.46 42.38 1ssn s ILE 106 CO 0.55 -0.11 0.82 0.35 -2.11 0.00 0.00 174.94 174.43 1ssn n THR 107 N 2.51 0.00 -0.18 4.00 -2.24 -1.26 -4.45 114.28 112.65 1ssn n THR 107 Ca -0.16 -2.00 0.05 0.00 -2.27 0.00 0.00 64.05 59.67 1ssn n THR 107 Cb 0.58 -0.49 0.34 0.00 -2.10 0.00 0.00 70.33 68.66 1ssn n THR 107 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1ssn h GLU 108 N 0.00 0.76 0.00 -0.78 9.09 -1.99 -2.77 114.58 118.89 1ssn h GLU 108 Ca -0.28 -0.05 -0.19 0.00 0.05 0.00 0.00 59.36 58.90 1ssn h GLU 108 Cb 1.29 -0.17 -0.03 0.00 -1.65 0.00 0.00 28.75 28.19 1ssn h GLU 108 CO 0.40 0.50 -1.04 -0.22 0.05 0.00 0.00 179.01 178.70 1ssn h LYS 109 N 0.78 0.00 0.00 1.06 3.64 -1.96 -3.43 116.57 116.66 1ssn h LYS 109 Ca 0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1ssn h LYS 109 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1ssn h LYS 109 CO -0.10 0.93 0.00 0.41 -2.27 0.00 0.00 179.45 178.42 1ssn n GLY 110 N 1.47 1.45 3.50 5.01 0.00 -1.20 -4.69 105.19 110.73 1ssn n GLY 110 Ca -0.28 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.60 0.09 1.61 -0.12 -0.83 -4.97 117.98 113.16 1ssn s PHE 111 Ca 0.00 0.88 -0.30 0.00 -0.05 0.00 0.00 56.93 57.46 1ssn s PHE 111 Cb 0.00 0.45 -0.05 0.00 -0.63 0.00 0.00 43.02 42.79 1ssn s PHE 111 CO 0.00 -0.64 1.02 0.08 -0.05 0.00 0.00 175.22 175.64 1ssn s VAL 112 N -1.82 4.41 0.07 -2.49 1.01 -1.26 -0.95 120.40 119.37 1ssn s VAL 112 Ca -0.07 1.90 -0.31 0.00 0.00 0.00 0.00 61.98 63.50 1ssn s VAL 112 Cb -0.00 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 32.09 1ssn s VAL 112 CO 0.04 0.24 1.55 -0.69 0.00 0.00 0.00 175.10 176.24 1ssn s VAL 113 N 0.35 3.19 0.00 2.92 1.01 -1.16 -4.92 120.40 121.78 1ssn s VAL 113 Ca 0.50 0.69 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1ssn s VAL 113 Cb -0.25 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1ssn s VAL 113 CO 0.30 0.01 0.24 -0.81 0.00 0.00 0.00 175.10 174.85 1ssn n PRO 114 N 5.16 0.00 0.09 2.72 -0.04 -1.26 -2.54 135.00 139.13 1ssn n PRO 114 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1ssn n PRO 114 Cb 0.41 -0.74 0.00 0.00 -0.04 0.00 0.00 33.50 33.13 1ssn n PRO 114 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ssn n ASP 115 N -0.50 -1.61 -2.08 3.54 2.03 -1.26 -4.53 116.55 112.13 1ssn n ASP 115 Ca 0.00 0.49 -0.03 0.00 0.52 0.00 0.00 54.79 55.77 1ssn n ASP 115 Cb 0.00 1.73 -0.02 0.00 -0.72 0.00 0.00 41.12 42.10 1ssn n ASP 115 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1ssn n LEU 116 N -2.93 -4.28 -2.70 -2.67 -0.00 -1.26 -4.97 117.00 98.18 1ssn n LEU 116 Ca 0.00 1.20 -0.04 0.00 -0.00 0.00 0.00 56.01 57.17 1ssn n LEU 116 Cb 0.00 -2.22 0.03 0.00 -0.00 0.00 0.00 43.42 41.23 1ssn n LEU 116 CO 0.00 -2.12 0.39 -0.24 -0.00 0.00 0.00 177.39 175.41 1ssn n SER 117 N 0.86 -2.05 0.00 1.96 2.88 -1.26 -4.89 113.62 111.12 1ssn n SER 117 Ca -0.21 -1.71 0.00 0.00 -1.33 0.00 0.00 58.87 55.62 1ssn n SER 117 Cb 0.32 1.07 0.00 0.00 -0.75 0.00 0.00 64.21 64.85 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 2.48 0.00 -0.10 -1.46 0.00 -1.26 -5.03 120.64 115.27 1ssn n GLU 118 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 57.07 1ssn n GLU 118 Cb 0.63 0.00 -0.12 0.00 0.00 0.00 0.00 31.44 31.96 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 0.00 -1.52 4.31 2.07 -2.06 -3.47 115.15 114.48 1ssn h HIS 119 Ca 0.00 0.00 -0.46 0.00 -2.85 0.00 0.00 60.37 57.06 1ssn h HIS 119 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 1ssn h HIS 119 CO 0.00 1.39 -0.33 0.96 -3.07 0.00 0.00 177.93 176.88 1ssn s ILE 120 N -2.34 2.95 0.00 6.12 -4.36 -1.26 -4.85 121.20 117.46 1ssn s ILE 120 Ca -0.27 -1.18 0.00 0.00 -0.26 0.00 0.00 60.65 58.94 1ssn s ILE 120 Cb 0.04 -3.04 0.00 0.00 1.25 0.00 0.00 42.46 40.72 1ssn s ILE 120 CO 0.60 -0.02 0.00 1.17 0.24 0.00 0.00 174.94 176.93 1ssn n LYS 121 N -1.67 1.95 -2.94 0.37 0.00 -1.26 -4.31 118.16 110.30 1ssn n LYS 121 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 58.13 1ssn n LYS 121 Cb 0.60 -0.56 -0.03 0.00 0.00 0.00 0.00 35.03 35.04 1ssn n LYS 121 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1ssn n ASN 122 N -0.53 3.27 -4.66 3.14 0.23 -1.26 -3.82 115.26 111.63 1ssn n ASN 122 Ca 0.00 -3.43 -0.43 0.00 -0.53 0.00 0.00 54.58 50.19 1ssn n ASN 122 Cb 0.04 -0.56 -0.02 0.00 -2.08 0.00 0.00 39.78 37.16 1ssn n ASN 122 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1ssn s PRO 123 N -3.16 4.18 -1.15 -0.53 0.04 -1.26 -3.93 135.00 129.19 1ssn s PRO 123 Ca 0.45 1.90 -0.09 0.00 0.04 0.00 0.00 61.00 63.30 1ssn s PRO 123 Cb 0.33 -3.88 0.25 0.00 0.04 0.00 0.00 34.50 31.23 1ssn s PRO 123 CO -0.12 -0.81 1.30 0.41 0.04 0.00 0.00 177.00 177.83 1ssn n GLY 124 N 3.92 4.22 3.55 0.56 0.00 -0.75 -2.24 105.19 114.46 1ssn n GLY 124 Ca 0.16 -2.44 -0.30 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.77 1.25 -0.65 1.61 0.08 -0.79 -1.98 117.98 116.72 1ssn s PHE 125 Ca 0.34 1.46 -0.20 0.00 0.12 0.00 0.00 56.93 58.66 1ssn s PHE 125 Cb -0.05 -3.67 0.10 0.00 -0.57 0.00 0.00 43.02 38.83 1ssn s PHE 125 CO -0.02 -2.19 0.82 -0.80 -0.10 0.00 0.00 175.22 172.93 1ssn s ASN 126 N 10.82 6.24 -1.33 1.36 0.01 -1.24 -1.62 114.94 129.18 1ssn s ASN 126 Ca 0.89 -1.42 -0.16 0.00 -0.71 0.00 0.00 52.86 51.46 1ssn s ASN 126 Cb -0.14 -2.34 0.08 0.00 0.41 0.00 0.00 41.25 39.25 1ssn s ASN 126 CO 0.18 -1.18 1.84 0.18 -1.51 0.00 0.00 177.10 176.61 1ssn n LEU 127 N 6.64 5.54 -4.65 0.60 7.99 -0.64 -1.83 117.00 130.66 1ssn n LEU 127 Ca -0.04 -4.06 -0.40 0.00 -0.01 0.00 0.00 56.01 51.50 1ssn n LEU 127 Cb 0.44 -1.70 -0.06 0.00 -0.11 0.00 0.00 43.42 41.98 1ssn n LEU 127 CO 0.58 0.51 0.33 -0.63 -1.51 0.00 0.00 177.39 176.68 1ssn s ILE 128 N 3.53 5.04 -0.19 -0.08 1.01 -1.21 -3.85 121.20 125.45 1ssn s ILE 128 Ca 0.50 1.08 -0.01 0.00 0.00 0.00 0.00 60.65 62.23 1ssn s ILE 128 Cb 0.06 -3.90 0.05 0.00 0.01 0.00 0.00 42.46 38.68 1ssn s ILE 128 CO 0.03 0.10 -0.01 -0.89 0.00 0.00 0.00 174.94 174.17 1ssn s THR 129 N 2.05 0.92 0.31 2.92 2.01 -1.26 -2.67 115.64 119.91 1ssn s THR 129 Ca 0.26 -0.72 -0.29 0.00 0.31 0.00 0.00 61.69 61.25 1ssn s THR 129 Cb -0.16 -1.27 -0.11 0.00 0.01 0.00 0.00 72.50 70.98 1ssn s THR 129 CO 0.10 -0.08 1.48 -0.75 -0.69 0.00 0.00 174.62 174.67 1ssn s LYS 130 N 1.69 4.20 0.04 4.92 2.20 -1.26 -2.51 119.74 129.01 1ssn s LYS 130 Ca -0.02 2.44 0.02 0.00 -0.36 0.00 0.00 55.97 58.05 1ssn s LYS 130 Cb -0.17 -3.04 -0.02 0.00 -1.51 0.00 0.00 37.83 33.08 1ssn s LYS 130 CO -0.07 -0.48 -0.07 0.14 -0.36 0.00 0.00 175.35 174.51 1ssn s VAL 131 N -0.45 0.46 -0.07 4.02 -7.23 -0.97 -1.75 120.40 114.41 1ssn s VAL 131 Ca 0.57 -1.02 -0.05 0.00 -1.81 0.00 0.00 61.98 59.67 1ssn s VAL 131 Cb -0.44 -0.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 1ssn s VAL 131 CO 0.51 -0.39 0.16 -0.69 -0.31 0.00 0.00 175.10 174.38 1ssn s VAL 132 N -1.35 5.48 0.06 1.32 1.01 -0.95 -2.73 120.40 123.23 1ssn s VAL 132 Ca -0.11 0.06 0.05 0.00 0.00 0.00 0.00 61.98 61.99 1ssn s VAL 132 Cb -0.10 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1ssn s VAL 132 CO 0.00 0.50 -0.15 -0.63 0.00 0.00 0.00 175.10 174.82 1ssn s ILE 133 N -1.15 1.15 0.00 2.22 1.01 -0.58 -1.51 121.20 122.34 1ssn s ILE 133 Ca 0.20 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.69 1ssn s ILE 133 Cb -0.12 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.28 1ssn s ILE 133 CO 0.10 -0.09 0.00 -1.84 0.00 0.00 0.00 174.94 173.11 1ssn n GLU 134 N 1.60 2.22 0.00 2.79 0.28 -1.26 -3.53 120.64 122.74 1ssn n GLU 134 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.81 1ssn n GLU 134 Cb 0.54 -0.84 0.00 0.00 1.43 0.00 0.00 31.44 32.57 1ssn n GLU 134 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1ssn n LYS 135 N -1.22 0.00 0.00 3.44 4.81 -1.26 -5.07 118.16 118.85 1ssn n LYS 135 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 1ssn n LYS 135 Cb 0.13 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.26 1ssn n LYS 135 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74