#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 -2.38 4.04 7.64 -1.26 -4.55 113.62 117.11 1ssn n SER 2 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1ssn n SER 2 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 1ssn n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ssn n SER 3 N 0.00 5.68 -4.01 6.43 2.88 -1.26 -4.37 113.62 118.97 1ssn n SER 3 Ca 0.00 -3.76 -0.36 0.00 -1.33 0.00 0.00 58.87 53.42 1ssn n SER 3 Cb 0.00 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 1ssn n SER 3 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1ssn n PHE 4 N -0.63 -1.07 -1.44 0.66 -1.74 -1.26 -4.34 117.46 107.64 1ssn n PHE 4 Ca 0.47 0.09 -0.19 0.00 -0.56 0.00 0.00 57.45 57.25 1ssn n PHE 4 Cb 0.69 -2.19 -0.20 0.00 1.52 0.00 0.00 39.48 39.30 1ssn n PHE 4 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1ssn n ASP 5 N -1.59 -1.53 0.00 5.98 8.00 -1.26 -4.66 116.55 121.49 1ssn n ASP 5 Ca -0.11 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.73 1ssn n ASP 5 Cb 0.46 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 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 5.39 0.00 -2.70 -1.24 2.85 -1.26 -4.98 118.16 116.22 1ssn n LYS 6 Ca 0.59 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 57.43 1ssn n LYS 6 Cb 0.19 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.55 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 0.00 1.62 0.00 2.58 0.00 -1.26 -4.84 107.32 105.42 1ssn s GLY 7 Ca 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 44.72 42.10 1ssn s GLY 7 CO 0.00 2.45 0.00 0.28 0.00 0.00 0.00 173.10 175.83 1ssn n LYS 8 N 7.86 0.00 -3.18 2.90 4.01 -1.26 -4.89 118.16 123.60 1ssn n LYS 8 Ca 0.34 0.00 -0.16 0.00 -0.51 0.00 0.00 58.31 57.98 1ssn n LYS 8 Cb 0.49 0.00 0.01 0.00 -0.51 0.00 0.00 35.03 35.02 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 0.00 -3.00 -1.63 2.13 9.36 -1.26 -4.62 117.16 118.13 1ssn n TYR 9 Ca 0.00 1.21 -0.41 0.00 3.32 0.00 0.00 57.90 62.02 1ssn n TYR 9 Cb 0.00 -3.38 -0.01 0.00 -0.63 0.00 0.00 39.34 35.32 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 -0.91 3.41 0.00 2.98 5.02 -1.25 -4.53 118.16 122.88 1ssn n LYS 10 Ca -0.01 -2.58 0.00 0.00 -2.02 0.00 0.00 58.31 53.69 1ssn n LYS 10 Cb 0.55 -3.00 0.00 0.00 -0.02 0.00 0.00 35.03 32.56 1ssn n LYS 10 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ssn n LYS 11 N 4.51 0.00 0.00 1.97 3.00 -1.26 -3.73 118.16 122.66 1ssn n LYS 11 Ca 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.94 1ssn n LYS 11 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.34 1ssn n LYS 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ssn n GLY 12 N 0.00 0.06 3.60 3.14 0.00 -1.26 -5.07 105.19 105.66 1ssn n GLY 12 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 1.57 -4.49 1.61 9.92 -1.24 -4.90 116.55 119.02 1ssn n ASP 13 Ca 0.00 1.17 -0.44 0.00 -0.53 0.00 0.00 54.79 55.00 1ssn n ASP 13 Cb 0.00 -1.31 -0.00 0.00 -0.64 0.00 0.00 41.12 39.17 1ssn n ASP 13 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1ssn s ASP 14 N -0.37 6.97 0.44 -2.24 1.01 -1.26 -4.99 116.67 116.23 1ssn s ASP 14 Ca 0.62 -2.75 -0.06 0.00 0.71 0.00 0.00 52.55 51.07 1ssn s ASP 14 Cb -0.71 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 40.74 1ssn s ASP 14 CO 0.58 -0.88 0.75 0.00 0.21 0.00 0.00 175.17 175.83 1ssn s ALA 15 N 2.31 3.42 0.29 5.23 0.00 -1.26 -2.47 121.76 129.28 1ssn s ALA 15 Ca 0.44 -0.47 -0.21 0.00 0.00 0.00 0.00 51.96 51.73 1ssn s ALA 15 Cb -0.02 -2.56 0.02 0.00 0.00 0.00 0.00 23.12 20.56 1ssn s ALA 15 CO 0.00 -0.21 0.72 -1.54 0.00 0.00 0.00 175.76 174.74 1ssn s SER 16 N -3.82 -0.24 -0.33 0.00 1.04 -1.26 -4.97 113.70 104.11 1ssn s SER 16 Ca 0.48 -0.65 0.08 0.00 0.48 0.00 0.00 55.95 56.34 1ssn s SER 16 Cb -0.10 0.74 0.45 0.00 0.10 0.00 0.00 66.02 67.21 1ssn s SER 16 CO 0.40 -1.37 1.15 -1.22 0.98 0.00 0.00 173.24 173.18 1ssn n TYR 17 N -0.46 2.77 -3.15 5.02 4.02 -1.26 -4.88 117.16 119.21 1ssn n TYR 17 Ca -0.04 -2.51 0.05 0.00 -0.01 0.00 0.00 57.90 55.39 1ssn n TYR 17 Cb 0.59 -0.25 -0.01 0.00 -0.02 0.00 0.00 39.34 39.64 1ssn n TYR 17 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1ssn s PHE 18 N -3.58 -0.55 0.28 -0.72 5.36 -1.26 -5.13 117.98 112.39 1ssn s PHE 18 Ca 0.47 0.50 0.00 0.00 -0.96 0.00 0.00 56.93 56.94 1ssn s PHE 18 Cb 0.40 0.16 0.00 0.00 -0.34 0.00 0.00 43.02 43.24 1ssn s PHE 18 CO -0.04 -0.30 0.00 0.39 -1.46 0.00 0.00 175.22 173.81 1ssn n GLU 19 N 5.38 -1.77 -2.40 10.12 -0.58 -1.25 -4.63 120.64 125.50 1ssn n GLU 19 Ca -0.02 1.40 -0.37 0.00 -0.42 0.00 0.00 57.16 57.75 1ssn n GLU 19 Cb 0.55 -1.84 -0.03 0.00 -0.57 0.00 0.00 31.44 29.55 1ssn n GLU 19 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1ssn s PRO 20 N -4.26 3.36 -0.09 3.49 0.04 -0.85 -4.78 135.00 131.92 1ssn s PRO 20 Ca 0.00 -1.24 -0.13 0.00 0.04 0.00 0.00 61.00 59.68 1ssn s PRO 20 Cb 0.00 -5.34 -0.10 0.00 0.04 0.00 0.00 34.50 29.10 1ssn s PRO 20 CO 0.00 -2.70 0.43 1.79 0.04 0.00 0.00 177.00 176.56 1ssn h THR 21 N 6.43 0.54 -1.24 1.26 1.35 -1.83 -3.49 112.91 115.94 1ssn h THR 21 Ca 0.26 -1.24 0.28 0.00 -0.55 0.00 0.00 66.41 65.16 1ssn h THR 21 Cb 0.96 0.99 -0.21 0.00 -1.73 0.00 0.00 68.15 68.16 1ssn h THR 21 CO 1.37 0.17 0.90 -0.83 -0.25 0.00 0.00 175.52 176.88 1ssn s GLY 22 N -3.54 -0.20 0.84 5.82 0.00 -1.03 -5.00 107.32 104.21 1ssn s GLY 22 Ca -0.08 1.92 -0.12 0.00 0.00 0.00 0.00 44.72 46.44 1ssn s GLY 22 CO 0.27 0.67 1.20 2.56 0.00 0.00 0.00 173.10 177.81 1ssn s PRO 23 N -2.03 1.64 0.27 2.90 0.04 -1.26 -4.45 135.00 132.11 1ssn s PRO 23 Ca 0.10 -0.06 -0.20 0.00 0.04 0.00 0.00 61.00 60.87 1ssn s PRO 23 Cb -0.01 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.64 1ssn s PRO 23 CO -0.04 -1.78 0.88 1.52 0.04 0.00 0.00 177.00 177.62 1ssn s TYR 24 N -3.63 0.00 -0.35 0.56 -0.85 -0.92 -4.66 117.35 107.51 1ssn s TYR 24 Ca 0.65 -0.49 0.01 0.00 -0.52 0.00 0.00 57.07 56.72 1ssn s TYR 24 Cb -0.09 0.74 0.14 0.00 0.38 0.00 0.00 41.96 43.13 1ssn s TYR 24 CO 0.50 -1.19 0.29 -1.17 -1.52 0.00 0.00 175.55 172.46 1ssn s LEU 25 N -3.11 0.31 -0.00 -3.49 0.20 -0.02 -2.52 118.68 110.05 1ssn s LEU 25 Ca 0.16 -1.64 -0.30 0.00 0.69 0.00 0.00 54.13 53.03 1ssn s LEU 25 Cb -0.04 0.16 -0.03 0.00 -0.43 0.00 0.00 46.19 45.85 1ssn s LEU 25 CO 0.07 -0.31 1.03 -0.32 -0.29 0.00 0.00 176.35 176.54 1ssn s MET 26 N 1.50 4.51 -0.42 1.98 -2.45 -0.49 -1.87 119.30 122.06 1ssn s MET 26 Ca 0.16 1.49 0.02 0.00 -1.25 0.00 0.00 55.69 56.11 1ssn s MET 26 Cb -0.18 -3.45 0.13 0.00 1.25 0.00 0.00 34.83 32.58 1ssn s MET 26 CO -0.09 -0.14 0.22 0.08 1.05 0.00 0.00 175.02 176.14 1ssn s VAL 27 N 1.19 1.25 0.14 10.11 1.01 -1.19 -1.51 120.40 131.40 1ssn s VAL 27 Ca 0.53 -2.35 -0.15 0.00 0.00 0.00 0.00 61.98 60.02 1ssn s VAL 27 Cb -0.22 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.29 1ssn s VAL 27 CO 0.27 -0.87 0.39 0.20 0.00 0.00 0.00 175.10 175.09 1ssn s ASN 28 N 0.57 -0.16 0.20 3.32 -0.87 -1.24 -4.73 114.94 112.02 1ssn s ASN 28 Ca 0.17 -0.48 0.11 0.00 -1.57 0.00 0.00 52.86 51.09 1ssn s ASN 28 Cb -0.24 0.48 -0.04 0.00 -0.02 0.00 0.00 41.25 41.43 1ssn s ASN 28 CO -0.02 -0.90 -0.22 0.68 -2.57 0.00 0.00 177.10 174.07 1ssn s VAL 29 N -3.85 2.22 -1.25 1.60 -7.23 -1.26 -4.03 120.40 106.60 1ssn s VAL 29 Ca 0.07 -2.05 -0.13 0.00 -1.81 0.00 0.00 61.98 58.05 1ssn s VAL 29 Cb 0.02 -2.07 0.15 0.00 0.56 0.00 0.00 36.38 35.04 1ssn s VAL 29 CO -0.08 -0.21 1.59 0.41 -0.31 0.00 0.00 175.10 176.50 1ssn n THR 30 N 0.15 4.20 -2.05 5.32 -1.04 -0.91 -2.91 114.28 117.04 1ssn n THR 30 Ca -0.12 -4.52 -0.42 0.00 -2.04 0.00 0.00 64.05 56.95 1ssn n THR 30 Cb 0.57 -2.43 -0.03 0.00 -1.82 0.00 0.00 70.33 66.61 1ssn n THR 30 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1ssn s GLY 31 N 2.66 1.72 0.26 3.41 0.00 -0.97 -3.23 107.32 111.17 1ssn s GLY 31 Ca 0.44 1.13 0.02 0.00 0.00 0.00 0.00 44.72 46.31 1ssn s GLY 31 CO 0.01 2.64 0.06 -1.34 0.00 0.00 0.00 173.10 174.48 1ssn s VAL 32 N 2.04 0.79 0.90 1.40 -7.23 -1.03 -0.70 120.40 116.58 1ssn s VAL 32 Ca 0.69 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.70 1ssn s VAL 32 Cb -0.38 -2.58 0.22 0.00 0.56 0.00 0.00 36.38 34.21 1ssn s VAL 32 CO 0.30 -0.10 0.88 0.47 -0.31 0.00 0.00 175.10 176.35 1ssn n ASP 33 N -0.49 -1.42 -1.77 4.85 8.00 -0.96 -1.24 116.55 123.52 1ssn n ASP 33 Ca -0.02 -1.09 -0.08 0.00 0.71 0.00 0.00 54.79 54.30 1ssn n ASP 33 Cb 0.66 -0.78 -0.03 0.00 -0.02 0.00 0.00 41.12 40.95 1ssn n ASP 33 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1ssn n SER 34 N -4.27 5.68 0.14 -2.24 2.88 -1.23 -3.66 113.62 110.93 1ssn n SER 34 Ca 0.12 -2.64 0.00 0.00 -1.33 0.00 0.00 58.87 55.02 1ssn n SER 34 Cb 0.45 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 1ssn n SER 34 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ssn n LYS 35 N 1.37 0.00 0.00 -1.46 4.76 -1.26 -5.07 118.16 116.50 1ssn n LYS 35 Ca 0.19 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 1ssn n LYS 35 Cb 0.60 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.79 1ssn n LYS 35 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ssn n GLY 36 N 1.32 0.20 3.68 0.72 0.00 -1.24 -5.14 105.19 104.73 1ssn n GLY 36 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 6.85 0.03 1.61 0.01 -1.26 -4.78 114.94 117.40 1ssn s ASN 37 Ca 0.00 2.07 -0.30 0.00 -0.71 0.00 0.00 52.86 53.92 1ssn s ASN 37 Cb 0.00 -2.56 -0.07 0.00 0.41 0.00 0.00 41.25 39.04 1ssn s ASN 37 CO 0.00 -0.73 1.50 -0.70 -1.51 0.00 0.00 177.10 175.65 1ssn s GLU 38 N 2.64 4.25 -0.20 -0.60 2.12 -1.26 -2.28 118.70 123.37 1ssn s GLU 38 Ca 0.63 2.11 -0.13 0.00 0.36 0.00 0.00 54.97 57.94 1ssn s GLU 38 Cb -0.30 -3.58 -0.20 0.00 0.26 0.00 0.00 34.13 30.31 1ssn s GLU 38 CO 0.25 -0.64 0.12 1.28 -0.54 0.00 0.00 175.26 175.74 1ssn n LEU 39 N 5.44 2.27 -3.98 2.70 4.77 0.12 -4.97 117.00 123.35 1ssn n LEU 39 Ca 0.14 0.27 -0.09 0.00 -0.03 0.00 0.00 56.01 56.30 1ssn n LEU 39 Cb 0.42 -0.99 -0.11 0.00 -2.33 0.00 0.00 43.42 40.42 1ssn n LEU 39 CO 0.60 0.59 -0.33 -1.48 -1.33 0.00 0.00 177.39 175.45 1ssn s LEU 40 N -7.38 2.15 0.25 2.23 2.34 -1.03 -4.30 118.68 112.93 1ssn s LEU 40 Ca -0.29 -0.52 -0.11 0.00 0.06 0.00 0.00 54.13 53.26 1ssn s LEU 40 Cb 0.08 0.22 -0.08 0.00 -0.56 0.00 0.00 46.19 45.85 1ssn s LEU 40 CO 0.64 -0.36 0.60 -0.55 -1.06 0.00 0.00 176.35 175.61 1ssn s SER 41 N -1.67 6.68 -0.21 1.48 0.15 -1.26 -2.29 113.70 116.59 1ssn s SER 41 Ca -0.12 1.03 -0.04 0.00 0.70 0.00 0.00 55.95 57.52 1ssn s SER 41 Cb -0.07 -2.27 -0.05 0.00 -1.71 0.00 0.00 66.02 61.93 1ssn s SER 41 CO -0.02 -0.09 2.87 -0.81 1.20 0.00 0.00 173.24 176.39 1ssn n PRO 42 N -0.12 1.98 -3.24 5.44 -0.04 -1.15 -4.30 135.00 133.57 1ssn n PRO 42 Ca 0.01 -1.42 0.04 0.00 -0.04 0.00 0.00 63.50 62.08 1ssn n PRO 42 Cb 0.53 -1.86 -0.03 0.00 -0.04 0.00 0.00 33.50 32.09 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 -0.51 -0.39 0.00 0.54 -3.43 -1.26 -4.63 115.29 105.61 1ssn s HIS 43 Ca 0.50 0.59 0.00 0.00 -0.80 0.00 0.00 55.06 55.35 1ssn s HIS 43 Cb 0.29 0.20 0.00 0.00 -1.43 0.00 0.00 32.58 31.64 1ssn s HIS 43 CO -0.08 -0.20 0.00 2.48 -2.00 0.00 0.00 174.74 174.94 1ssn n TYR 44 N 4.99 0.00 -3.88 0.38 0.18 -1.26 -4.73 117.16 112.84 1ssn n TYR 44 Ca -0.08 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.59 1ssn n TYR 44 Cb 0.54 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.38 1ssn n TYR 44 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 1ssn s VAL 45 N 0.00 0.03 -0.13 -3.48 -7.23 -1.26 -3.78 120.40 104.55 1ssn s VAL 45 Ca 0.00 -0.28 -0.17 0.00 -1.81 0.00 0.00 61.98 59.72 1ssn s VAL 45 Cb 0.00 -0.19 0.04 0.00 0.56 0.00 0.00 36.38 36.79 1ssn s VAL 45 CO 0.00 -0.16 0.45 -1.83 -0.31 0.00 0.00 175.10 173.26 1ssn s GLU 46 N -0.47 0.60 0.02 4.82 -1.05 -1.26 -3.18 118.70 118.18 1ssn s GLU 46 Ca -0.05 0.46 0.03 0.00 -0.15 0.00 0.00 54.97 55.25 1ssn s GLU 46 Cb -0.03 0.29 -0.04 0.00 -0.44 0.00 0.00 34.13 33.91 1ssn s GLU 46 CO 0.00 -0.11 -0.01 -0.06 0.95 0.00 0.00 175.26 176.03 1ssn s PHE 47 N -0.15 3.02 -0.07 4.83 0.08 -0.78 -4.62 117.98 120.28 1ssn s PHE 47 Ca -0.03 0.03 -0.30 0.00 0.12 0.00 0.00 56.93 56.75 1ssn s PHE 47 Cb -0.03 -1.63 -0.06 0.00 -0.57 0.00 0.00 43.02 40.73 1ssn s PHE 47 CO 0.02 0.45 1.73 -1.25 -0.10 0.00 0.00 175.22 176.07 1ssn s PRO 48 N -1.70 4.06 0.40 0.24 0.04 -1.26 -0.84 135.00 135.93 1ssn s PRO 48 Ca 0.20 2.17 -0.27 0.00 0.04 0.00 0.00 61.00 63.14 1ssn s PRO 48 Cb -0.11 -4.04 -0.10 0.00 0.04 0.00 0.00 34.50 30.28 1ssn s PRO 48 CO 0.12 -1.00 1.46 -1.50 0.04 0.00 0.00 177.00 176.11 1ssn s ILE 49 N 4.52 2.10 -0.29 0.56 2.07 -1.26 -4.92 121.20 123.98 1ssn s ILE 49 Ca 0.77 0.09 0.01 0.00 -1.41 0.00 0.00 60.65 60.11 1ssn s ILE 49 Cb -0.33 -3.06 0.09 0.00 0.13 0.00 0.00 42.46 39.28 1ssn s ILE 49 CO 0.32 0.02 0.04 -0.75 -1.91 0.00 0.00 174.94 172.66 1ssn s LYS 50 N -2.19 1.14 0.64 3.50 2.36 -1.26 -5.05 119.74 118.88 1ssn s LYS 50 Ca 0.55 -1.19 -0.11 0.00 -2.55 0.00 0.00 55.97 52.67 1ssn s LYS 50 Cb -0.45 -2.45 -0.03 0.00 -1.05 0.00 0.00 37.83 33.85 1ssn s LYS 50 CO 0.60 -0.84 1.04 -1.25 1.55 0.00 0.00 175.35 176.45 1ssn s PRO 51 N 1.40 3.40 0.00 4.03 0.04 -1.26 -4.56 135.00 138.06 1ssn s PRO 51 Ca 0.05 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1ssn s PRO 51 Cb -0.18 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1ssn s PRO 51 CO -0.14 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.57 1ssn n GLY 52 N -2.39 0.21 3.32 0.56 0.00 -0.45 -4.96 105.19 101.47 1ssn n GLY 52 Ca 0.07 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.90 0.02 -0.21 2.61 -1.32 -1.26 -4.97 115.64 107.61 1ssn s THR 53 Ca 0.00 -0.21 -0.29 0.00 -1.21 0.00 0.00 61.69 59.98 1ssn s THR 53 Cb 0.00 -0.67 -0.03 0.00 -1.51 0.00 0.00 72.50 70.29 1ssn s THR 53 CO 0.00 -0.11 1.58 -0.89 -2.21 0.00 0.00 174.62 172.99 1ssn s THR 54 N -0.66 3.75 -0.32 5.08 2.01 -1.26 -2.80 115.64 121.43 1ssn s THR 54 Ca -0.08 0.85 0.03 0.00 0.31 0.00 0.00 61.69 62.80 1ssn s THR 54 Cb -0.04 -3.74 0.09 0.00 0.01 0.00 0.00 72.50 68.83 1ssn s THR 54 CO 0.04 -0.29 0.02 -0.76 -0.69 0.00 0.00 174.62 172.94 1ssn s LEU 55 N 4.99 4.44 0.20 4.42 2.01 -0.44 -4.94 118.68 129.36 1ssn s LEU 55 Ca 0.70 -1.94 -0.10 0.00 0.01 0.00 0.00 54.13 52.80 1ssn s LEU 55 Cb -0.25 -1.62 -0.01 0.00 0.01 0.00 0.00 46.19 44.32 1ssn s LEU 55 CO 0.28 -0.34 0.36 0.28 1.01 0.00 0.00 176.35 177.94 1ssn s THR 56 N 0.97 0.03 0.14 5.49 -1.32 -1.26 -2.64 115.64 117.05 1ssn s THR 56 Ca 0.05 -1.44 -0.19 0.00 -1.21 0.00 0.00 61.69 58.90 1ssn s THR 56 Cb -0.19 -2.06 -0.01 0.00 -1.51 0.00 0.00 72.50 68.72 1ssn s THR 56 CO -0.07 -0.12 1.72 0.50 -2.21 0.00 0.00 174.62 174.43 1ssn h LYS 57 N 2.42 0.08 0.00 7.08 3.64 -1.56 -1.45 116.57 126.78 1ssn h LYS 57 Ca -0.30 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1ssn h LYS 57 Cb 1.24 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1ssn h LYS 57 CO 0.43 0.05 0.00 -0.85 -2.27 0.00 0.00 179.45 176.81 1ssn n GLU 58 N -5.15 0.01 -1.56 1.90 -0.00 -1.26 -2.25 120.64 112.34 1ssn n GLU 58 Ca -0.01 0.17 -0.21 0.00 -0.00 0.00 0.00 57.16 57.11 1ssn n GLU 58 Cb 0.13 -1.50 0.08 0.00 -0.00 0.00 0.00 31.44 30.15 1ssn n GLU 58 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1ssn n LYS 59 N -1.49 2.95 0.00 3.44 3.00 -0.59 -4.57 118.16 120.91 1ssn n LYS 59 Ca 0.05 -3.74 0.00 0.00 -0.00 0.00 0.00 58.31 54.62 1ssn n LYS 59 Cb 0.22 -2.16 0.00 0.00 0.00 0.00 0.00 35.03 33.09 1ssn n LYS 59 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1ssn n ILE 60 N -0.86 0.00 -0.30 3.15 2.08 -0.96 -4.39 119.36 118.08 1ssn n ILE 60 Ca 0.45 0.00 0.15 0.00 0.56 0.00 0.00 62.75 63.91 1ssn n ILE 60 Cb 0.90 -0.05 0.40 0.00 -0.75 0.00 0.00 39.64 40.15 1ssn n ILE 60 CO 0.00 0.00 0.00 1.05 0.56 0.00 0.00 176.55 178.16 1ssn h GLU 61 N 0.00 0.61 0.06 0.38 -0.00 -1.69 -0.70 114.58 113.24 1ssn h GLU 61 Ca 0.00 -0.04 -0.27 0.00 -0.00 0.00 0.00 59.36 59.06 1ssn h GLU 61 Cb 0.00 -0.14 -0.02 0.00 -0.00 0.00 0.00 28.75 28.59 1ssn h GLU 61 CO 0.00 0.40 -1.34 0.10 -0.00 0.00 0.00 179.01 178.18 1ssn h TYR 62 N 0.63 0.24 -0.27 2.06 -0.00 -1.87 -3.36 116.97 114.39 1ssn h TYR 62 Ca 0.51 -0.18 -0.16 0.00 -0.00 0.00 0.00 58.73 58.90 1ssn h TYR 62 Cb 0.96 -0.01 -0.00 0.00 -0.00 0.00 0.00 36.73 37.68 1ssn h TYR 62 CO -0.00 1.18 -0.47 -0.92 -0.00 0.00 0.00 178.16 177.95 1ssn h TYR 63 N 0.04 0.99 -0.35 0.10 3.20 -1.46 -2.83 116.97 116.66 1ssn h TYR 63 Ca -0.15 -0.35 -0.08 0.00 3.14 0.00 0.00 58.73 61.29 1ssn h TYR 63 Cb 1.93 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.99 1ssn h TYR 63 CO 0.03 1.15 -0.12 -0.39 -1.64 0.00 0.00 178.16 177.19 1ssn h VAL 64 N 0.55 1.24 -0.44 1.81 -1.51 -1.52 -2.46 116.25 113.93 1ssn h VAL 64 Ca 0.02 -1.09 -0.04 0.00 -1.23 0.00 0.00 66.70 64.36 1ssn h VAL 64 Cb 1.07 1.11 -0.02 0.00 -2.13 0.00 0.00 31.29 31.32 1ssn h VAL 64 CO 0.11 0.36 0.13 -0.33 -1.23 0.00 0.00 177.57 176.61 1ssn h GLU 65 N 0.56 0.66 -0.11 5.19 4.39 -1.68 -2.11 114.58 121.47 1ssn h GLU 65 Ca 0.10 -0.11 -0.15 0.00 0.34 0.00 0.00 59.36 59.54 1ssn h GLU 65 Cb 0.54 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1ssn h GLU 65 CO 0.03 0.58 -0.59 -1.49 -1.16 0.00 0.00 179.01 176.38 1ssn h TRP 66 N 0.64 0.47 -0.16 4.33 -0.00 -1.23 -1.84 115.95 118.16 1ssn h TRP 66 Ca 0.15 -0.18 -0.04 0.00 -0.00 0.00 0.00 58.89 58.82 1ssn h TRP 66 Cb 0.21 -0.09 -0.00 0.00 -0.00 0.00 0.00 29.16 29.28 1ssn h TRP 66 CO 0.01 0.87 -0.06 0.00 -0.00 0.00 0.00 178.44 179.26 1ssn h ALA 67 N 1.09 0.23 0.00 1.49 0.00 -1.03 -3.13 119.26 117.91 1ssn h ALA 67 Ca -0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1ssn h ALA 67 Cb 1.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1ssn h ALA 67 CO 0.10 0.02 -0.39 1.37 0.00 0.00 0.00 179.25 180.34 1ssn h LEU 68 N 0.02 0.00 -0.90 0.00 8.10 -1.45 -3.15 115.31 117.92 1ssn h LEU 68 Ca 0.04 0.00 0.08 0.00 0.11 0.00 0.00 57.88 58.11 1ssn h LEU 68 Cb 0.52 0.00 -0.07 0.00 -0.44 0.00 0.00 40.66 40.67 1ssn h LEU 68 CO 0.02 0.39 0.55 -0.78 -4.11 0.00 0.00 178.44 174.52 1ssn h ASP 69 N 0.00 0.85 -0.52 0.17 1.82 -1.28 -2.85 116.42 114.62 1ssn h ASP 69 Ca -0.00 0.03 0.10 0.00 -0.39 0.00 0.00 57.03 56.77 1ssn h ASP 69 Cb 0.95 -0.15 -0.10 0.00 0.68 0.00 0.00 39.33 40.71 1ssn h ASP 69 CO 0.05 0.52 -0.19 0.00 -1.61 0.00 0.00 179.24 178.01 1ssn h ALA 70 N 1.44 0.22 -0.01 -0.78 0.00 -1.52 -2.70 119.26 115.92 1ssn h ALA 70 Ca 0.41 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.50 1ssn h ALA 70 Cb 0.26 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ssn h ALA 70 CO -0.20 -0.51 -0.02 1.79 0.00 0.00 0.00 179.25 180.30 1ssn h THR 71 N -0.07 1.49 -2.09 0.00 1.35 -1.73 -3.48 112.91 108.38 1ssn h THR 71 Ca 0.24 -1.48 -0.06 0.00 -0.55 0.00 0.00 66.41 64.56 1ssn h THR 71 Cb 0.45 2.47 -0.20 0.00 -1.73 0.00 0.00 68.15 69.14 1ssn h THR 71 CO -0.57 0.39 0.13 0.00 -0.25 0.00 0.00 175.52 175.22 1ssn s ALA 72 N -3.72 -1.68 -0.33 6.62 0.00 -1.02 -4.44 121.76 117.19 1ssn s ALA 72 Ca -0.17 1.47 0.16 0.00 0.00 0.00 0.00 51.96 53.43 1ssn s ALA 72 Cb 0.01 -0.39 0.44 0.00 0.00 0.00 0.00 23.12 23.18 1ssn s ALA 72 CO 0.69 -0.35 1.21 2.48 0.00 0.00 0.00 175.76 179.79 1ssn n TYR 73 N 1.57 -0.40 0.11 0.00 4.11 -1.25 -2.05 117.16 119.24 1ssn n TYR 73 Ca -0.17 -2.20 0.00 0.00 -0.00 0.00 0.00 57.90 55.53 1ssn n TYR 73 Cb 0.56 0.55 0.00 0.00 -0.00 0.00 0.00 39.34 40.46 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 -0.62 0.00 -2.62 -3.48 4.81 -1.26 -4.99 118.16 110.00 1ssn n LYS 74 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 1ssn n LYS 74 Cb 0.83 -0.18 0.01 0.00 0.02 0.00 0.00 35.03 35.71 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 -3.46 3.91 -3.59 1.64 4.07 -1.26 -4.65 120.64 117.29 1ssn n GLU 75 Ca 0.00 -3.92 -0.11 0.00 -0.06 0.00 0.00 57.16 53.07 1ssn n GLU 75 Cb 0.01 -2.78 -0.04 0.00 -0.06 0.00 0.00 31.44 28.58 1ssn n GLU 75 CO 0.00 0.00 0.00 -0.59 -0.06 0.00 0.00 177.13 176.48 1ssn s PHE 76 N -0.73 -0.28 -0.48 4.31 -0.71 -1.26 -4.03 117.98 114.80 1ssn s PHE 76 Ca 0.36 -0.01 0.05 0.00 -1.04 0.00 0.00 56.93 56.29 1ssn s PHE 76 Cb 0.07 0.38 0.20 0.00 -1.21 0.00 0.00 43.02 42.46 1ssn s PHE 76 CO 0.04 -0.79 0.83 -2.13 -1.34 0.00 0.00 175.22 171.82 1ssn n ARG 77 N -0.30 0.50 -2.07 1.99 3.00 -1.26 -2.58 116.66 115.95 1ssn n ARG 77 Ca -0.15 -1.76 -0.39 0.00 -0.00 0.00 0.00 57.85 55.55 1ssn n ARG 77 Cb 0.64 -1.20 -0.03 0.00 0.00 0.00 0.00 32.46 31.87 1ssn n ARG 77 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1ssn s VAL 78 N 0.83 3.38 0.03 5.15 1.01 -1.26 -2.15 120.40 127.39 1ssn s VAL 78 Ca 0.29 0.23 -0.28 0.00 0.00 0.00 0.00 61.98 62.22 1ssn s VAL 78 Cb 0.06 -3.98 -0.15 0.00 0.00 0.00 0.00 36.38 32.31 1ssn s VAL 78 CO -0.09 -0.94 1.30 0.58 0.00 0.00 0.00 175.10 175.95 1ssn h VAL 79 N 6.84 0.00 -2.01 2.92 2.07 -1.47 -3.46 116.25 121.14 1ssn h VAL 79 Ca -0.26 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1ssn h VAL 79 Cb 1.16 0.00 -0.24 0.00 -1.52 0.00 0.00 31.29 30.69 1ssn h VAL 79 CO 1.21 0.00 -0.28 -0.70 0.02 0.00 0.00 177.57 177.83 1ssn s GLU 80 N -5.01 0.46 0.35 1.57 2.12 -1.22 -5.02 118.70 111.95 1ssn s GLU 80 Ca -0.15 1.13 -0.25 0.00 0.36 0.00 0.00 54.97 56.07 1ssn s GLU 80 Cb 0.01 0.48 -0.10 0.00 0.26 0.00 0.00 34.13 34.79 1ssn s GLU 80 CO 0.44 -0.33 0.99 -0.48 -0.54 0.00 0.00 175.26 175.33 1ssn s LEU 81 N 2.75 4.26 0.05 2.70 0.05 -1.26 -1.98 118.68 125.26 1ssn s LEU 81 Ca 0.02 1.91 -0.30 0.00 0.05 0.00 0.00 54.13 55.81 1ssn s LEU 81 Cb -0.13 -4.08 -0.05 0.00 -2.05 0.00 0.00 46.19 39.89 1ssn s LEU 81 CO -0.17 -0.22 1.03 -1.81 -0.55 0.00 0.00 176.35 174.63 1ssn s ASP 82 N -1.60 7.34 0.43 1.48 1.11 -0.85 -4.95 116.67 119.64 1ssn s ASP 82 Ca 0.53 1.80 0.24 0.00 0.18 0.00 0.00 52.55 55.29 1ssn s ASP 82 Cb -0.20 -2.58 0.89 0.00 1.07 0.00 0.00 42.92 42.10 1ssn s ASP 82 CO 0.25 -0.25 1.81 1.55 1.18 0.00 0.00 175.17 179.71 1ssn h PRO 83 N 6.36 0.00 -2.81 8.23 0.13 -1.96 -3.33 132.00 138.62 1ssn h PRO 83 Ca -0.42 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.01 1ssn h PRO 83 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 1ssn h PRO 83 CO 0.75 0.24 3.13 0.43 -0.23 0.00 0.00 178.00 182.32 1ssn n SER 84 N -3.39 8.40 -4.78 1.44 7.64 -1.26 -4.95 113.62 116.71 1ssn n SER 84 Ca 0.00 -2.86 -0.30 0.00 1.01 0.00 0.00 58.87 56.72 1ssn n SER 84 Cb 0.44 -1.46 0.09 0.00 -1.01 0.00 0.00 64.21 62.27 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 0.48 2.21 -0.06 -0.43 0.00 -1.25 -4.91 121.76 117.79 1ssn s ALA 85 Ca 0.62 0.02 -0.20 0.00 0.00 0.00 0.00 51.96 52.39 1ssn s ALA 85 Cb 0.18 -3.18 0.04 0.00 0.00 0.00 0.00 23.12 20.16 1ssn s ALA 85 CO -0.08 -1.75 0.47 -1.59 0.00 0.00 0.00 175.76 172.81 1ssn s LYS 86 N -5.02 0.77 -0.02 0.00 -2.85 -1.25 -1.83 119.74 109.54 1ssn s LYS 86 Ca 0.61 0.15 -0.19 0.00 -1.00 0.00 0.00 55.97 55.54 1ssn s LYS 86 Cb -0.16 0.36 -0.05 0.00 -2.06 0.00 0.00 37.83 35.92 1ssn s LYS 86 CO 0.55 -0.20 0.53 0.42 0.10 0.00 0.00 175.35 176.75 1ssn s ILE 87 N -0.92 4.97 -0.49 3.79 1.09 -0.79 -3.46 121.20 125.39 1ssn s ILE 87 Ca -0.10 1.10 0.08 0.00 -1.10 0.00 0.00 60.65 60.63 1ssn s ILE 87 Cb -0.03 -3.86 0.28 0.00 -1.06 0.00 0.00 42.46 37.79 1ssn s ILE 87 CO 0.05 0.45 0.69 -0.62 -0.10 0.00 0.00 174.94 175.41 1ssn n GLU 88 N 2.63 1.67 -2.18 2.79 1.02 -0.75 -1.87 120.64 123.95 1ssn n GLU 88 Ca -0.09 -3.92 -0.42 0.00 -0.02 0.00 0.00 57.16 52.71 1ssn n GLU 88 Cb 0.51 -1.76 -0.03 0.00 -0.02 0.00 0.00 31.44 30.14 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 -2.28 3.60 -0.24 2.62 0.11 -1.14 -3.27 120.40 119.79 1ssn s VAL 89 Ca 0.39 1.00 0.01 0.00 -2.93 0.00 0.00 61.98 60.46 1ssn s VAL 89 Cb 0.21 -3.64 0.06 0.00 -1.53 0.00 0.00 36.38 31.48 1ssn s VAL 89 CO -0.08 -0.00 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.73 1ssn s THR 90 N 2.42 1.73 -0.37 5.04 2.01 -1.02 -1.44 115.64 124.00 1ssn s THR 90 Ca 0.65 -1.37 -0.11 0.00 0.31 0.00 0.00 61.69 61.17 1ssn s THR 90 Cb -0.33 -1.96 0.03 0.00 0.01 0.00 0.00 72.50 70.25 1ssn s THR 90 CO 0.27 -0.09 0.20 -0.72 -0.69 0.00 0.00 174.62 173.59 1ssn s TYR 91 N 1.30 3.24 -0.66 4.92 -0.85 -1.25 -1.59 117.35 122.46 1ssn s TYR 91 Ca -0.06 -0.94 -0.05 0.00 -0.52 0.00 0.00 57.07 55.49 1ssn s TYR 91 Cb -0.19 -2.43 0.02 0.00 0.38 0.00 0.00 41.96 39.74 1ssn s TYR 91 CO -0.06 -0.64 2.82 0.66 -1.52 0.00 0.00 175.55 176.81 1ssn n TYR 92 N 4.99 1.65 -3.05 -3.49 4.01 -1.26 -3.42 117.16 116.58 1ssn n TYR 92 Ca -0.12 -2.15 -0.45 0.00 -0.16 0.00 0.00 57.90 55.03 1ssn n TYR 92 Cb 0.46 -1.58 -0.01 0.00 -0.31 0.00 0.00 39.34 37.90 1ssn n TYR 92 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ssn s ASP 93 N 0.70 6.94 0.13 7.72 2.15 -1.26 -2.00 116.67 131.05 1ssn s ASP 93 Ca 0.60 -2.77 0.10 0.00 0.43 0.00 0.00 52.55 50.91 1ssn s ASP 93 Cb 0.32 -2.34 0.51 0.00 -0.30 0.00 0.00 42.92 41.10 1ssn s ASP 93 CO -0.15 -0.74 1.30 0.29 -0.17 0.00 0.00 175.17 175.70 1ssn n LYS 94 N 5.22 0.06 -0.02 4.34 4.76 -1.26 -0.45 118.16 130.81 1ssn n LYS 94 Ca 0.28 0.53 -0.09 0.00 -2.87 0.00 0.00 58.31 56.16 1ssn n LYS 94 Cb 0.45 -1.68 -0.03 0.00 -1.84 0.00 0.00 35.03 31.92 1ssn n LYS 94 CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 1ssn h ASN 95 N 0.00 -0.30 0.00 4.39 2.35 -1.97 -3.45 115.58 116.60 1ssn h ASN 95 Ca 0.00 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1ssn h ASN 95 Cb 0.04 0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1ssn h ASN 95 CO 0.00 -0.12 0.00 2.29 -1.65 0.00 0.00 177.43 177.95 1ssn n LYS 96 N -5.24 0.00 -0.21 0.81 0.00 -1.18 -5.00 118.16 107.35 1ssn n LYS 96 Ca -0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.19 1ssn n LYS 96 Cb 0.16 -0.03 0.02 0.00 -0.00 0.00 0.00 35.03 35.18 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 1.02 -0.42 -1.58 1.63 -1.84 -3.50 116.57 111.89 1ssn h LYS 97 Ca 0.00 -0.31 0.04 0.00 -0.85 0.00 0.00 60.65 59.54 1ssn h LYS 97 Cb 0.00 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 1ssn h LYS 97 CO 0.00 0.99 -0.15 1.17 -3.45 0.00 0.00 179.45 178.01 1ssn n LYS 98 N -4.25 -0.40 -1.69 1.90 4.81 0.41 -4.83 118.16 114.11 1ssn n LYS 98 Ca 0.03 0.32 -0.54 0.00 -0.87 0.00 0.00 58.31 57.26 1ssn n LYS 98 Cb 0.32 -0.46 -0.06 0.00 0.02 0.00 0.00 35.03 34.84 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 -2.29 1.54 -3.28 1.64 2.13 -1.22 -4.31 120.64 114.84 1ssn n GLU 99 Ca -0.01 0.56 -0.05 0.00 0.66 0.00 0.00 57.16 58.32 1ssn n GLU 99 Cb 0.08 -2.30 -0.05 0.00 0.27 0.00 0.00 31.44 29.44 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 3.37 0.43 -1.01 5.31 2.12 -1.24 -5.01 118.70 122.66 1ssn s GLU 100 Ca 0.95 0.56 -0.23 0.00 0.36 0.00 0.00 54.97 56.60 1ssn s GLU 100 Cb -0.92 -0.14 0.04 0.00 0.26 0.00 0.00 34.13 33.37 1ssn s GLU 100 CO 0.58 -0.75 1.50 0.99 -0.54 0.00 0.00 175.26 177.04 1ssn s THR 101 N 2.64 3.88 -0.78 -1.70 2.01 -1.26 -3.86 115.64 116.56 1ssn s THR 101 Ca 0.14 -0.74 -0.26 0.00 0.31 0.00 0.00 61.69 61.14 1ssn s THR 101 Cb -0.14 -4.96 0.02 0.00 0.01 0.00 0.00 72.50 67.43 1ssn s THR 101 CO -0.21 -1.84 1.47 -0.75 -0.69 0.00 0.00 174.62 172.60 1ssn s LYS 102 N 5.17 3.12 0.08 4.92 2.47 -0.52 -4.90 119.74 130.08 1ssn s LYS 102 Ca 0.49 -0.26 -0.20 0.00 -1.56 0.00 0.00 55.97 54.43 1ssn s LYS 102 Cb -0.01 -4.52 -0.07 0.00 -1.46 0.00 0.00 37.83 31.78 1ssn s LYS 102 CO -0.09 -2.36 0.59 -1.54 0.16 0.00 0.00 175.35 172.11 1ssn s SER 103 N 5.12 7.10 -0.26 1.43 1.04 -1.26 -2.88 113.70 123.98 1ssn s SER 103 Ca 0.46 1.30 -0.25 0.00 0.48 0.00 0.00 55.95 57.94 1ssn s SER 103 Cb -0.07 -2.37 0.07 0.00 0.10 0.00 0.00 66.02 63.74 1ssn s SER 103 CO 0.10 0.27 0.72 0.72 0.98 0.00 0.00 173.24 176.02 1ssn s PHE 104 N -1.10 -0.78 0.31 5.02 -0.71 -0.78 -5.02 117.98 114.91 1ssn s PHE 104 Ca 0.30 1.90 -0.29 0.00 -1.04 0.00 0.00 56.93 57.81 1ssn s PHE 104 Cb -0.20 0.27 -0.10 0.00 -1.21 0.00 0.00 43.02 41.79 1ssn s PHE 104 CO 0.20 -0.39 1.15 -1.25 -1.34 0.00 0.00 175.22 173.59 1ssn s PRO 105 N 0.33 4.50 0.49 1.99 0.04 -1.26 -1.89 135.00 139.21 1ssn s PRO 105 Ca -0.00 1.88 -0.21 0.00 0.04 0.00 0.00 61.00 62.71 1ssn s PRO 105 Cb -0.05 -3.08 -0.07 0.00 0.04 0.00 0.00 34.50 31.34 1ssn s PRO 105 CO 0.01 0.06 1.09 -1.50 0.04 0.00 0.00 177.00 176.70 1ssn s ILE 106 N -1.21 3.46 0.73 0.56 2.07 -0.76 -4.87 121.20 121.19 1ssn s ILE 106 Ca 0.47 0.97 -0.11 0.00 -1.41 0.00 0.00 60.65 60.57 1ssn s ILE 106 Cb -0.33 -3.42 0.03 0.00 0.13 0.00 0.00 42.46 38.87 1ssn s ILE 106 CO 0.43 -0.14 1.07 0.42 -1.91 0.00 0.00 174.94 174.80 1ssn s THR 107 N -1.80 3.73 -0.23 4.00 -4.23 -1.26 -4.82 115.64 111.03 1ssn s THR 107 Ca 0.67 0.56 0.21 0.00 -1.18 0.00 0.00 61.69 61.95 1ssn s THR 107 Cb -0.21 -3.21 0.01 0.00 1.34 0.00 0.00 72.50 70.42 1ssn s THR 107 CO 0.25 -0.73 1.08 1.05 -0.54 0.00 0.00 174.62 175.73 1ssn h GLU 108 N -0.89 0.00 0.00 3.99 4.11 -1.95 -1.74 114.58 118.10 1ssn h GLU 108 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 1ssn h GLU 108 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1ssn h GLU 108 CO 0.55 0.10 0.00 1.63 0.07 0.00 0.00 179.01 181.36 1ssn n LYS 109 N -2.81 0.00 -2.66 1.06 5.02 -1.26 -4.58 118.16 112.93 1ssn n LYS 109 Ca -0.02 0.01 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1ssn n LYS 109 Cb 0.63 -0.35 0.06 0.00 -0.02 0.00 0.00 35.03 35.35 1ssn n LYS 109 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ssn n GLY 110 N 2.47 -1.80 3.82 0.72 0.00 -1.26 -4.89 105.19 104.26 1ssn n GLY 110 Ca 0.00 1.17 -0.32 0.00 0.00 0.00 0.00 46.02 46.87 1ssn n GLY 110 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ssn s PHE 111 N 0.48 3.25 -0.00 1.61 5.36 -1.08 -4.95 117.98 122.65 1ssn s PHE 111 Ca 0.25 1.49 0.03 0.00 -0.96 0.00 0.00 56.93 57.74 1ssn s PHE 111 Cb 0.18 -2.89 -0.01 0.00 -0.34 0.00 0.00 43.02 39.96 1ssn s PHE 111 CO -0.09 -0.69 -0.11 0.08 -1.46 0.00 0.00 175.22 172.95 1ssn s VAL 112 N -2.54 0.84 -0.03 3.12 1.01 -1.26 -1.33 120.40 120.21 1ssn s VAL 112 Ca 0.61 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 1ssn s VAL 112 Cb -0.13 -0.72 -0.06 0.00 0.00 0.00 0.00 36.38 35.48 1ssn s VAL 112 CO 0.34 0.20 1.57 -0.69 0.00 0.00 0.00 175.10 176.52 1ssn s VAL 113 N -0.32 3.56 0.65 2.92 1.01 -1.12 -4.94 120.40 122.15 1ssn s VAL 113 Ca 0.03 0.81 -0.13 0.00 0.00 0.00 0.00 61.98 62.70 1ssn s VAL 113 Cb -0.04 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 1ssn s VAL 113 CO -0.00 -0.04 1.05 -2.16 0.00 0.00 0.00 175.10 173.95 1ssn s PRO 114 N 3.39 3.13 -1.25 2.72 0.04 -1.26 -1.35 135.00 140.43 1ssn s PRO 114 Ca 0.70 1.02 -0.20 0.00 0.04 0.00 0.00 61.00 62.56 1ssn s PRO 114 Cb -0.33 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1ssn s PRO 114 CO 0.28 -0.95 1.82 0.16 0.04 0.00 0.00 177.00 178.35 1ssn s ASP 115 N -3.48 6.08 -0.69 6.66 -4.77 -1.26 -4.62 116.67 114.59 1ssn s ASP 115 Ca 0.60 -2.10 -0.24 0.00 -3.30 0.00 0.00 52.55 47.50 1ssn s ASP 115 Cb -0.14 -2.58 0.06 0.00 -1.09 0.00 0.00 42.92 39.16 1ssn s ASP 115 CO 0.48 -1.97 1.09 -0.22 0.70 0.00 0.00 175.17 175.25 1ssn s LEU 116 N 7.07 3.91 -0.44 2.11 1.98 -1.26 -4.83 118.68 127.23 1ssn s LEU 116 Ca 0.60 -0.79 0.01 0.00 -2.89 0.00 0.00 54.13 51.06 1ssn s LEU 116 Cb 0.02 -2.47 0.21 0.00 0.66 0.00 0.00 46.19 44.60 1ssn s LEU 116 CO 0.10 -1.59 0.92 -0.24 -1.89 0.00 0.00 176.35 173.64 1ssn n SER 117 N 8.35 -2.50 0.00 3.68 2.88 -1.26 -4.79 113.62 119.98 1ssn n SER 117 Ca -0.01 -2.06 0.00 0.00 -1.33 0.00 0.00 58.87 55.47 1ssn n SER 117 Cb 0.47 1.29 0.00 0.00 -0.75 0.00 0.00 64.21 65.22 1ssn n SER 117 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1ssn n GLU 118 N 2.67 0.00 0.19 -1.46 -0.00 -1.26 -4.96 120.64 115.81 1ssn n GLU 118 Ca 0.14 0.00 0.14 0.00 -0.00 0.00 0.00 57.16 57.44 1ssn n GLU 118 Cb 0.61 0.00 0.56 0.00 -0.00 0.00 0.00 31.44 32.61 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 -4.12 -1.84 2.07 -2.01 -3.44 115.15 105.81 1ssn h HIS 119 Ca 0.00 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.41 1ssn h HIS 119 Cb 0.00 0.00 -0.15 0.00 2.57 0.00 0.00 27.41 29.83 1ssn h HIS 119 CO 0.00 0.00 -0.58 0.96 -3.07 0.00 0.00 177.93 175.24 1ssn s ILE 120 N -3.45 0.19 0.00 6.12 -4.36 -1.26 -4.79 121.20 113.65 1ssn s ILE 120 Ca 0.03 -1.62 0.05 0.00 -0.26 0.00 0.00 60.65 58.85 1ssn s ILE 120 Cb 0.09 -1.51 0.09 0.00 1.25 0.00 0.00 42.46 42.38 1ssn s ILE 120 CO 0.45 -0.85 1.02 2.29 0.24 0.00 0.00 174.94 178.09 1ssn n LYS 121 N 0.04 0.00 -2.72 0.37 -0.00 -1.26 -4.01 118.16 110.58 1ssn n LYS 121 Ca -0.14 -1.17 -0.06 0.00 -0.00 0.00 0.00 58.31 56.95 1ssn n LYS 121 Cb 0.62 0.37 0.05 0.00 -0.00 0.00 0.00 35.03 36.07 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 0.10 0.94 -4.75 -5.58 0.23 -1.26 -4.47 115.26 100.47 1ssn n ASN 122 Ca -0.20 -2.45 -0.41 0.00 -0.53 0.00 0.00 54.58 50.98 1ssn n ASN 122 Cb 0.78 -0.28 -0.02 0.00 -2.08 0.00 0.00 39.78 38.19 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 -2.77 4.27 -0.75 -0.53 0.04 -1.26 -4.21 135.00 129.78 1ssn s PRO 123 Ca 0.25 2.30 0.03 0.00 0.04 0.00 0.00 61.00 63.63 1ssn s PRO 123 Cb 0.41 -3.11 0.23 0.00 0.04 0.00 0.00 34.50 32.08 1ssn s PRO 123 CO -0.01 -0.41 0.78 0.41 0.04 0.00 0.00 177.00 177.81 1ssn n GLY 124 N 2.17 4.56 3.55 0.56 0.00 -0.62 -2.16 105.19 113.25 1ssn n GLY 124 Ca 0.07 -2.69 -0.27 0.00 0.00 0.00 0.00 46.02 43.12 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 -2.10 1.13 -0.65 1.61 0.40 -1.05 -2.45 117.98 114.88 1ssn s PHE 125 Ca 0.33 1.69 -0.21 0.00 -0.60 0.00 0.00 56.93 58.14 1ssn s PHE 125 Cb 0.05 -3.55 0.09 0.00 0.51 0.00 0.00 43.02 40.12 1ssn s PHE 125 CO -0.05 -2.14 0.86 -0.80 0.70 0.00 0.00 175.22 173.79 1ssn s ASN 126 N 11.48 6.22 -1.26 1.36 -0.87 -1.20 -1.39 114.94 129.26 1ssn s ASN 126 Ca 0.94 -1.28 -0.17 0.00 -1.57 0.00 0.00 52.86 50.78 1ssn s ASN 126 Cb -0.15 -2.36 0.10 0.00 -0.02 0.00 0.00 41.25 38.82 1ssn s ASN 126 CO 0.18 -1.26 1.63 -0.76 -2.57 0.00 0.00 177.10 174.32 1ssn s LEU 127 N 3.32 4.23 -0.25 0.60 2.01 -0.57 -1.81 118.68 126.21 1ssn s LEU 127 Ca 0.18 -2.60 -0.16 0.00 0.01 0.00 0.00 54.13 51.56 1ssn s LEU 127 Cb -0.19 -2.52 -0.04 0.00 0.01 0.00 0.00 46.19 43.45 1ssn s LEU 127 CO 0.07 -1.04 0.40 -0.63 1.01 0.00 0.00 176.35 176.16 1ssn s ILE 128 N 3.37 5.16 -0.02 -0.59 1.01 -1.22 -3.70 121.20 125.21 1ssn s ILE 128 Ca 0.50 0.65 -0.01 0.00 0.00 0.00 0.00 60.65 61.79 1ssn s ILE 128 Cb 0.02 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.77 1ssn s ILE 128 CO 0.05 0.16 0.05 -0.89 0.00 0.00 0.00 174.94 174.31 1ssn s THR 129 N 1.95 -0.02 -0.04 2.92 2.01 -1.26 -3.89 115.64 117.32 1ssn s THR 129 Ca 0.17 0.07 -0.23 0.00 0.31 0.00 0.00 61.69 62.01 1ssn s THR 129 Cb -0.16 -0.09 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 1ssn s THR 129 CO 0.09 0.03 0.67 -0.75 -0.69 0.00 0.00 174.62 173.97 1ssn s LYS 130 N 0.37 4.41 -0.00 4.92 2.36 -1.26 -2.15 119.74 128.40 1ssn s LYS 130 Ca -0.03 0.84 0.03 0.00 -2.55 0.00 0.00 55.97 54.27 1ssn s LYS 130 Cb -0.04 -3.41 -0.01 0.00 -1.05 0.00 0.00 37.83 33.32 1ssn s LYS 130 CO -0.01 0.17 -0.11 0.14 1.55 0.00 0.00 175.35 177.09 1ssn s VAL 131 N 0.44 0.83 0.00 4.02 -7.23 -1.20 -2.01 120.40 115.25 1ssn s VAL 131 Ca 0.35 -0.53 -0.14 0.00 -1.81 0.00 0.00 61.98 59.86 1ssn s VAL 131 Cb -0.18 -0.71 -0.06 0.00 0.56 0.00 0.00 36.38 35.99 1ssn s VAL 131 CO 0.18 0.18 0.39 -0.69 -0.31 0.00 0.00 175.10 174.85 1ssn s VAL 132 N -0.35 5.06 0.04 1.32 1.01 -0.84 -2.45 120.40 124.18 1ssn s VAL 132 Ca 0.03 0.76 -0.00 0.00 0.00 0.00 0.00 61.98 62.77 1ssn s VAL 132 Cb -0.05 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1ssn s VAL 132 CO -0.00 0.55 -0.03 -0.63 0.00 0.00 0.00 175.10 174.99 1ssn s ILE 133 N -1.11 0.20 0.00 2.22 1.01 -0.38 -1.16 121.20 121.98 1ssn s ILE 133 Ca 0.24 -1.33 0.08 0.00 0.00 0.00 0.00 60.65 59.65 1ssn s ILE 133 Cb -0.16 -0.85 0.14 0.00 0.01 0.00 0.00 42.46 41.60 1ssn s ILE 133 CO 0.13 -0.71 1.01 -1.84 0.00 0.00 0.00 174.94 173.52 1ssn n GLU 134 N 0.92 0.00 -0.41 2.79 0.28 -0.91 -3.55 120.64 119.76 1ssn n GLU 134 Ca -0.19 -1.22 0.00 0.00 -0.16 0.00 0.00 57.16 55.58 1ssn n GLU 134 Cb 0.58 -0.23 0.00 0.00 1.43 0.00 0.00 31.44 33.21 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 0.16 -1.15 0.00 3.44 0.00 -1.26 -4.84 118.16 114.50 1ssn n LYS 135 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 58.31 59.16 1ssn n LYS 135 Cb 0.82 -0.94 0.00 0.00 0.00 0.00 0.00 35.03 34.91 1ssn n LYS 135 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57