#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 0.00 6.43 3.41 -1.25 -4.86 113.62 117.35 1ssn n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ssn n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ssn n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ssn n SER 3 N 3.48 -0.99 -3.48 4.04 2.88 -1.26 -3.37 113.62 114.93 1ssn n SER 3 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1ssn n SER 3 Cb 0.00 -1.69 0.01 0.00 -0.75 0.00 0.00 64.21 61.78 1ssn n SER 3 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1ssn n PHE 4 N -2.08 -2.40 -1.91 0.66 3.01 -1.26 -4.77 117.46 108.71 1ssn n PHE 4 Ca 0.00 0.88 -0.42 0.00 1.01 0.00 0.00 57.45 58.92 1ssn n PHE 4 Cb 0.06 -3.45 -0.00 0.00 -0.01 0.00 0.00 39.48 36.08 1ssn n PHE 4 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1ssn n ASP 5 N -2.30 5.05 0.00 4.37 2.03 -1.22 -4.07 116.55 120.42 1ssn n ASP 5 Ca -0.15 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.24 1ssn n ASP 5 Cb 0.60 -1.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 1ssn n ASP 5 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ssn n LYS 6 N 4.79 2.91 -1.09 -0.67 4.76 -1.26 -5.05 118.16 122.55 1ssn n LYS 6 Ca 0.51 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.95 1ssn n LYS 6 Cb 0.36 -0.63 0.00 0.00 -1.84 0.00 0.00 35.03 32.91 1ssn n LYS 6 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ssn n GLY 7 N 0.88 0.83 3.85 0.72 0.00 -1.26 -4.36 105.19 105.86 1ssn n GLY 7 Ca 0.00 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 1ssn n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ssn n LYS 8 N -1.53 -3.41 -3.45 1.61 5.02 -1.26 -4.92 118.16 110.22 1ssn n LYS 8 Ca 0.00 0.47 -0.43 0.00 -2.02 0.00 0.00 58.31 56.32 1ssn n LYS 8 Cb 0.22 -4.63 -0.05 0.00 -0.02 0.00 0.00 35.03 30.54 1ssn n LYS 8 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1ssn s TYR 9 N -3.82 3.52 -0.19 2.13 5.04 -1.25 -4.79 117.35 118.00 1ssn s TYR 9 Ca 0.07 -1.96 -0.00 0.00 -2.44 0.00 0.00 57.07 52.73 1ssn s TYR 9 Cb -0.02 -3.63 0.16 0.00 0.35 0.00 0.00 41.96 38.82 1ssn s TYR 9 CO 0.87 -0.97 1.79 1.63 -1.34 0.00 0.00 175.55 177.53 1ssn n LYS 10 N 4.34 1.49 0.00 4.97 4.01 -1.12 -4.57 118.16 127.29 1ssn n LYS 10 Ca 0.02 -1.01 0.00 0.00 -0.51 0.00 0.00 58.31 56.81 1ssn n LYS 10 Cb 0.42 -1.40 0.00 0.00 -0.51 0.00 0.00 35.03 33.55 1ssn n LYS 10 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1ssn n LYS 11 N 0.50 0.00 -2.70 1.97 4.81 -1.26 -2.49 118.16 118.99 1ssn n LYS 11 Ca 0.20 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.57 1ssn n LYS 11 Cb 0.65 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.79 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 0.23 2.38 3.14 0.00 -1.26 -5.06 105.19 104.62 1ssn n GLY 12 Ca 0.00 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 0.05 2.14 -3.27 1.61 8.00 -1.04 -5.01 116.55 119.03 1ssn n ASP 13 Ca -0.02 -3.14 0.03 0.00 0.71 0.00 0.00 54.79 52.37 1ssn n ASP 13 Cb 0.74 -0.64 -0.02 0.00 -0.02 0.00 0.00 41.12 41.18 1ssn n ASP 13 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1ssn s ASP 14 N -2.15 -0.80 -0.05 -2.24 -4.77 -1.26 -4.74 116.67 100.66 1ssn s ASP 14 Ca 0.39 0.71 -0.03 0.00 -3.30 0.00 0.00 52.55 50.32 1ssn s ASP 14 Cb 0.21 1.75 -0.01 0.00 -1.09 0.00 0.00 42.92 43.78 1ssn s ASP 14 CO -0.07 -0.15 -0.06 0.00 0.70 0.00 0.00 175.17 175.58 1ssn h ALA 15 N 7.85 0.00 -0.18 2.11 0.00 -1.91 -3.48 119.26 123.65 1ssn h ALA 15 Ca -0.17 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ssn h ALA 15 Cb 1.15 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ssn h ALA 15 CO 0.07 0.18 0.00 0.45 0.00 0.00 0.00 179.25 179.94 1ssn n SER 16 N -3.20 0.00 -3.30 0.00 2.88 -1.26 -2.68 113.62 106.06 1ssn n SER 16 Ca -0.02 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.26 1ssn n SER 16 Cb 0.09 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.47 1ssn n SER 16 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1ssn n TYR 17 N 0.00 -0.70 -2.49 0.66 4.01 -1.26 -4.82 117.16 112.56 1ssn n TYR 17 Ca 0.00 -3.41 0.00 0.00 -0.16 0.00 0.00 57.90 54.33 1ssn n TYR 17 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.05 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 2.22 0.09 -0.99 -0.72 7.35 -1.09 -5.15 117.46 119.16 1ssn n PHE 18 Ca 0.26 -0.96 0.13 0.00 -0.76 0.00 0.00 57.45 56.12 1ssn n PHE 18 Cb 0.50 0.11 -0.05 0.00 0.35 0.00 0.00 39.48 40.39 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 -0.02 -2.17 -2.01 -4.13 4.71 -1.26 -4.60 120.64 111.17 1ssn n GLU 19 Ca -0.03 1.64 -0.38 0.00 -0.01 0.00 0.00 57.16 58.39 1ssn n GLU 19 Cb 0.96 -2.58 -0.03 0.00 -1.01 0.00 0.00 31.44 28.78 1ssn n GLU 19 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 1ssn s PRO 20 N -3.00 2.59 -0.13 3.49 0.02 -1.26 -4.70 135.00 132.00 1ssn s PRO 20 Ca 0.00 0.66 0.00 0.00 0.02 0.00 0.00 61.00 61.68 1ssn s PRO 20 Cb 0.00 -4.41 -0.08 0.00 0.02 0.00 0.00 34.50 30.03 1ssn s PRO 20 CO 0.00 -2.78 -0.12 0.25 -0.33 0.00 0.00 177.00 174.02 1ssn n THR 21 N 7.27 0.72 0.00 0.99 -2.24 -1.26 -5.08 114.28 114.68 1ssn n THR 21 Ca 0.22 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1ssn n THR 21 Cb 0.52 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 1ssn n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ssn n GLY 22 N 2.83 2.09 3.85 3.38 0.00 -1.26 -5.12 105.19 110.97 1ssn n GLY 22 Ca -0.23 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 1ssn n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ssn s PRO 23 N -2.00 3.16 0.20 1.61 0.04 -1.20 -4.71 135.00 132.10 1ssn s PRO 23 Ca 0.00 0.75 -0.18 0.00 0.04 0.00 0.00 61.00 61.61 1ssn s PRO 23 Cb 0.00 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.54 1ssn s PRO 23 CO 0.00 -0.89 0.55 1.52 0.04 0.00 0.00 177.00 178.22 1ssn s TYR 24 N -3.17 -0.17 -0.14 0.56 1.13 -1.26 -4.58 117.35 109.72 1ssn s TYR 24 Ca 0.57 -0.16 -0.08 0.00 -1.41 0.00 0.00 57.07 55.98 1ssn s TYR 24 Cb -0.12 0.44 0.05 0.00 -1.10 0.00 0.00 41.96 41.23 1ssn s TYR 24 CO 0.54 -0.94 0.33 -1.17 -2.51 0.00 0.00 175.55 171.80 1ssn s LEU 25 N -2.86 0.27 -0.06 -3.49 0.20 -0.83 -2.16 118.68 109.74 1ssn s LEU 25 Ca 0.08 0.70 0.04 0.00 0.69 0.00 0.00 54.13 55.65 1ssn s LEU 25 Cb -0.01 1.07 0.00 0.00 -0.43 0.00 0.00 46.19 46.81 1ssn s LEU 25 CO -0.03 -0.17 -0.18 -0.04 -0.29 0.00 0.00 176.35 175.65 1ssn s MET 26 N 1.10 2.02 -0.38 1.98 -1.94 -0.52 -0.94 119.30 120.61 1ssn s MET 26 Ca -0.08 -0.62 0.02 0.00 -1.71 0.00 0.00 55.69 53.30 1ssn s MET 26 Cb -0.08 -1.68 0.12 0.00 2.01 0.00 0.00 34.83 35.20 1ssn s MET 26 CO -0.08 0.19 0.16 0.08 -0.01 0.00 0.00 175.02 175.35 1ssn s VAL 27 N 0.23 1.52 0.35 -6.03 1.01 -1.22 -1.36 120.40 114.90 1ssn s VAL 27 Ca -0.09 -2.21 -0.04 0.00 0.00 0.00 0.00 61.98 59.65 1ssn s VAL 27 Cb -0.14 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.15 1ssn s VAL 27 CO 0.04 -0.75 0.51 0.20 0.00 0.00 0.00 175.10 175.09 1ssn s ASN 28 N 0.82 0.81 0.02 3.32 -0.87 -1.05 -4.61 114.94 113.37 1ssn s ASN 28 Ca 0.14 -1.44 0.00 0.00 -1.57 0.00 0.00 52.86 49.99 1ssn s ASN 28 Cb -0.21 0.68 -0.01 0.00 -0.02 0.00 0.00 41.25 41.69 1ssn s ASN 28 CO -0.10 -1.34 -0.03 0.68 -2.57 0.00 0.00 177.10 173.75 1ssn s VAL 29 N -2.99 0.17 -1.09 1.60 -7.23 -1.26 -3.77 120.40 105.82 1ssn s VAL 29 Ca 0.29 -0.62 -0.19 0.00 -1.81 0.00 0.00 61.98 59.64 1ssn s VAL 29 Cb -0.01 -0.25 0.09 0.00 0.56 0.00 0.00 36.38 36.78 1ssn s VAL 29 CO 0.19 -0.29 1.42 -0.89 -0.31 0.00 0.00 175.10 175.22 1ssn s THR 30 N -0.93 4.35 -0.15 5.32 2.01 -1.16 -3.30 115.64 121.78 1ssn s THR 30 Ca -0.09 -1.52 -0.29 0.00 0.31 0.00 0.00 61.69 60.09 1ssn s THR 30 Cb -0.07 -4.99 -0.02 0.00 0.01 0.00 0.00 72.50 67.43 1ssn s THR 30 CO -0.00 -1.79 1.34 -0.83 -0.69 0.00 0.00 174.62 172.65 1ssn s GLY 31 N 4.12 1.60 0.27 4.40 0.00 -1.00 -3.01 107.32 113.71 1ssn s GLY 31 Ca 0.44 0.53 0.02 0.00 0.00 0.00 0.00 44.72 45.70 1ssn s GLY 31 CO -0.04 2.61 0.10 -1.34 0.00 0.00 0.00 173.10 174.42 1ssn s VAL 32 N 3.67 0.61 0.87 1.40 -7.23 -1.06 -1.66 120.40 116.99 1ssn s VAL 32 Ca 0.59 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.65 1ssn s VAL 32 Cb -0.24 -2.64 0.17 0.00 0.56 0.00 0.00 36.38 34.23 1ssn s VAL 32 CO 0.18 0.00 1.20 -1.81 -0.31 0.00 0.00 175.10 174.35 1ssn s ASP 33 N -3.34 3.62 0.30 4.85 1.01 -0.90 -1.48 116.67 120.74 1ssn s ASP 33 Ca 0.37 0.05 -0.00 0.00 0.71 0.00 0.00 52.55 53.68 1ssn s ASP 33 Cb 0.08 -0.23 0.50 0.00 1.01 0.00 0.00 42.92 44.27 1ssn s ASP 33 CO 0.14 -2.38 1.94 -1.28 0.21 0.00 0.00 175.17 173.80 1ssn h SER 34 N -1.21 0.92 -0.21 0.27 0.87 -1.93 -2.30 113.55 109.97 1ssn h SER 34 Ca -0.41 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.17 1ssn h SER 34 Cb 1.25 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.97 1ssn h SER 34 CO 0.40 0.63 0.03 0.11 -0.53 0.00 0.00 176.83 177.46 1ssn h LYS 35 N 1.06 0.11 0.00 2.24 1.79 -2.01 -3.47 116.57 116.29 1ssn h LYS 35 Ca 0.34 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 1ssn h LYS 35 Cb 0.04 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1ssn h LYS 35 CO -0.10 0.07 0.00 0.41 -1.08 0.00 0.00 179.45 178.75 1ssn n GLY 36 N -1.18 0.96 3.68 3.86 0.00 -0.86 -5.12 105.19 106.53 1ssn n GLY 36 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.02 7.00 -0.41 1.61 0.01 -1.26 -4.67 114.94 116.19 1ssn s ASN 37 Ca 0.00 1.78 -0.28 0.00 -0.71 0.00 0.00 52.86 53.65 1ssn s ASN 37 Cb 0.00 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.09 1ssn s ASN 37 CO 0.00 -0.66 1.79 -0.70 -1.51 0.00 0.00 177.10 176.02 1ssn s GLU 38 N 2.73 3.15 0.09 -0.60 2.12 -1.26 -2.11 118.70 122.82 1ssn s GLU 38 Ca 0.56 1.17 -0.15 0.00 0.36 0.00 0.00 54.97 56.91 1ssn s GLU 38 Cb -0.24 -4.24 -0.11 0.00 0.26 0.00 0.00 34.13 29.81 1ssn s GLU 38 CO 0.19 -2.08 1.37 -0.07 -0.54 0.00 0.00 175.26 174.14 1ssn h LEU 39 N 14.35 0.77 -7.39 2.70 3.38 -1.64 -3.47 115.31 124.01 1ssn h LEU 39 Ca -0.31 -0.52 -0.10 0.00 0.09 0.00 0.00 57.88 57.03 1ssn h LEU 39 Cb 1.16 -0.22 -0.20 0.00 0.09 0.00 0.00 40.66 41.50 1ssn h LEU 39 CO 1.09 1.15 -0.16 -1.48 0.09 0.00 0.00 178.44 179.12 1ssn s LEU 40 N -8.83 0.49 0.53 1.67 0.05 -1.02 -4.78 118.68 106.79 1ssn s LEU 40 Ca -0.12 0.23 -0.08 0.00 0.05 0.00 0.00 54.13 54.21 1ssn s LEU 40 Cb 0.08 1.57 -0.04 0.00 -2.05 0.00 0.00 46.19 45.75 1ssn s LEU 40 CO 0.84 -0.49 0.87 -0.44 -0.55 0.00 0.00 176.35 176.59 1ssn s SER 41 N -1.31 6.28 -0.72 1.48 0.01 -1.26 -2.37 113.70 115.82 1ssn s SER 41 Ca -0.13 1.13 -0.06 0.00 1.31 0.00 0.00 55.95 58.20 1ssn s SER 41 Cb -0.04 -2.34 -0.07 0.00 0.21 0.00 0.00 66.02 63.78 1ssn s SER 41 CO 0.06 -0.67 3.03 -0.81 0.41 0.00 0.00 173.24 175.26 1ssn n PRO 42 N -2.35 2.96 -3.25 12.44 -0.04 -1.21 -4.66 135.00 138.89 1ssn n PRO 42 Ca 0.03 -2.07 0.01 0.00 -0.04 0.00 0.00 63.50 61.43 1ssn n PRO 42 Cb 0.55 -2.33 -0.02 0.00 -0.04 0.00 0.00 33.50 31.65 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 0.13 -1.46 0.23 0.54 3.76 -1.26 -4.66 115.29 112.57 1ssn s HIS 43 Ca 0.63 1.69 0.00 0.00 -0.15 0.00 0.00 55.06 57.23 1ssn s HIS 43 Cb 0.28 0.53 0.00 0.00 1.11 0.00 0.00 32.58 34.50 1ssn s HIS 43 CO -0.09 -0.82 0.00 2.48 -0.85 0.00 0.00 174.74 175.46 1ssn n TYR 44 N 5.42 -3.56 -3.16 1.40 4.11 -1.26 -4.35 117.16 115.76 1ssn n TYR 44 Ca -0.03 0.81 -0.34 0.00 -0.00 0.00 0.00 57.90 58.33 1ssn n TYR 44 Cb 0.51 2.25 -0.06 0.00 -0.00 0.00 0.00 39.34 42.03 1ssn n TYR 44 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1ssn s VAL 45 N -2.00 4.66 0.42 -3.48 0.11 -1.26 -2.78 120.40 116.07 1ssn s VAL 45 Ca 0.00 1.05 0.04 0.00 -2.93 0.00 0.00 61.98 60.14 1ssn s VAL 45 Cb 0.00 -3.73 -0.04 0.00 -1.53 0.00 0.00 36.38 31.08 1ssn s VAL 45 CO 0.00 0.03 0.05 -1.83 -3.33 0.00 0.00 175.10 170.02 1ssn s GLU 46 N -2.44 1.96 -0.28 1.54 1.03 -1.26 -3.44 118.70 115.80 1ssn s GLU 46 Ca 0.47 -2.18 -0.18 0.00 0.03 0.00 0.00 54.97 53.12 1ssn s GLU 46 Cb -0.13 -1.18 0.09 0.00 -0.80 0.00 0.00 34.13 32.11 1ssn s GLU 46 CO 0.19 -0.28 0.76 0.12 -1.33 0.00 0.00 175.26 174.72 1ssn s PHE 47 N -3.02 -0.92 -0.06 4.83 5.36 -0.12 -4.89 117.98 119.17 1ssn s PHE 47 Ca 0.23 1.89 -0.30 0.00 -0.96 0.00 0.00 56.93 57.80 1ssn s PHE 47 Cb 0.05 0.53 -0.04 0.00 -0.34 0.00 0.00 43.02 43.22 1ssn s PHE 47 CO 0.12 -0.45 1.29 -1.25 -1.46 0.00 0.00 175.22 173.47 1ssn s PRO 48 N 1.35 4.30 0.13 10.12 0.04 -1.26 -1.97 135.00 147.71 1ssn s PRO 48 Ca -0.08 1.78 -0.35 0.00 0.04 0.00 0.00 61.00 62.40 1ssn s PRO 48 Cb -0.05 -3.62 -0.16 0.00 0.04 0.00 0.00 34.50 30.71 1ssn s PRO 48 CO -0.16 -0.55 1.23 1.51 0.04 0.00 0.00 177.00 179.08 1ssn n ILE 49 N 4.81 0.50 -3.55 0.56 0.13 -1.26 -4.91 119.36 115.63 1ssn n ILE 49 Ca 0.12 -0.13 -0.27 0.00 -1.10 0.00 0.00 62.75 61.38 1ssn n ILE 49 Cb 0.45 -0.82 -0.15 0.00 -0.84 0.00 0.00 39.64 38.28 1ssn n ILE 49 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 1ssn s LYS 50 N -0.01 0.15 0.13 9.51 1.02 -1.26 -5.05 119.74 124.24 1ssn s LYS 50 Ca 0.78 -0.31 -0.02 0.00 0.02 0.00 0.00 55.97 56.44 1ssn s LYS 50 Cb -0.90 -1.37 0.03 0.00 -0.52 0.00 0.00 37.83 35.07 1ssn s LYS 50 CO 0.50 -0.88 0.18 -0.35 -0.92 0.00 0.00 175.35 173.88 1ssn n PRO 51 N 5.27 -0.12 0.00 -1.68 -0.04 -1.26 -4.56 135.00 132.60 1ssn n PRO 51 Ca -0.06 -0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 1ssn n PRO 51 Cb 0.45 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.73 1ssn n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ssn n GLY 52 N 3.79 2.94 3.75 0.55 0.00 -1.26 -5.01 105.19 109.96 1ssn n GLY 52 Ca 0.02 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.37 2.31 0.50 2.61 -1.32 -1.26 -4.67 115.64 112.43 1ssn s THR 53 Ca 0.00 0.23 -0.20 0.00 -1.21 0.00 0.00 61.69 60.50 1ssn s THR 53 Cb 0.00 -3.11 -0.08 0.00 -1.51 0.00 0.00 72.50 67.80 1ssn s THR 53 CO 0.00 -0.01 1.06 -0.89 -2.21 0.00 0.00 174.62 172.58 1ssn s THR 54 N -1.37 3.62 -0.26 5.08 2.01 -1.26 -2.76 115.64 120.70 1ssn s THR 54 Ca 0.71 1.02 0.02 0.00 0.31 0.00 0.00 61.69 63.75 1ssn s THR 54 Cb -0.37 -3.42 0.07 0.00 0.01 0.00 0.00 72.50 68.79 1ssn s THR 54 CO 0.44 -0.21 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.89 1ssn s LEU 55 N -3.53 3.04 0.16 4.42 1.98 -0.33 -4.93 118.68 119.49 1ssn s LEU 55 Ca 0.68 -1.36 -0.17 0.00 -2.89 0.00 0.00 54.13 50.39 1ssn s LEU 55 Cb -0.19 -1.33 0.03 0.00 0.66 0.00 0.00 46.19 45.37 1ssn s LEU 55 CO 0.22 -0.24 0.47 0.28 -1.89 0.00 0.00 176.35 175.19 1ssn s THR 56 N 1.26 0.04 0.16 3.68 -1.32 -1.26 -3.01 115.64 115.19 1ssn s THR 56 Ca -0.05 -0.62 -0.24 0.00 -1.21 0.00 0.00 61.69 59.58 1ssn s THR 56 Cb -0.19 -1.34 0.05 0.00 -1.51 0.00 0.00 72.50 69.51 1ssn s THR 56 CO -0.07 -0.20 1.60 0.50 -2.21 0.00 0.00 174.62 174.24 1ssn h LYS 57 N 2.26 -0.26 -0.20 7.08 3.64 -1.86 -1.29 116.57 125.93 1ssn h LYS 57 Ca -0.32 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.06 1ssn h LYS 57 Cb 1.26 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1ssn h LYS 57 CO 0.42 -0.18 0.04 1.05 -2.27 0.00 0.00 179.45 178.52 1ssn h GLU 58 N -0.27 0.29 0.60 1.90 -0.00 -1.92 -1.04 114.58 114.13 1ssn h GLU 58 Ca 0.16 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.36 59.46 1ssn h GLU 58 Cb 0.54 -0.06 0.01 0.00 -0.00 0.00 0.00 28.75 29.24 1ssn h GLU 58 CO -0.52 0.28 -0.29 0.87 -0.00 0.00 0.00 179.01 179.35 1ssn h LYS 59 N 0.29 -0.77 -0.73 1.06 6.56 -1.71 -3.29 116.57 117.98 1ssn h LYS 59 Ca 0.07 0.05 0.10 0.00 -1.06 0.00 0.00 60.65 59.82 1ssn h LYS 59 Cb 0.12 0.18 -0.08 0.00 -0.57 0.00 0.00 32.23 31.88 1ssn h LYS 59 CO -0.00 -0.47 0.35 0.82 -2.06 0.00 0.00 179.45 178.09 1ssn h ILE 60 N -0.95 0.81 0.09 1.86 1.08 -0.60 -1.97 117.51 117.84 1ssn h ILE 60 Ca -0.08 -0.20 0.01 0.00 -0.39 0.00 0.00 64.86 64.20 1ssn h ILE 60 Cb 0.66 0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 34.56 1ssn h ILE 60 CO 0.13 0.11 -0.37 -0.33 -0.69 0.00 0.00 178.15 177.00 1ssn h GLU 61 N 0.58 -0.51 -0.19 2.37 5.08 -1.28 -1.46 114.58 119.17 1ssn h GLU 61 Ca 0.37 0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.67 1ssn h GLU 61 Cb 0.43 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1ssn h GLU 61 CO -0.30 -0.34 -0.30 0.10 -1.00 0.00 0.00 179.01 177.17 1ssn h TYR 62 N -0.53 0.43 -0.00 4.33 -0.00 -1.63 -3.09 116.97 116.48 1ssn h TYR 62 Ca -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 58.73 58.63 1ssn h TYR 62 Cb 0.53 -0.10 -0.00 0.00 0.00 0.00 0.00 36.73 37.16 1ssn h TYR 62 CO -0.40 0.64 0.00 -0.92 -0.00 0.00 0.00 178.16 177.48 1ssn h TYR 63 N 0.33 0.00 -0.39 0.10 3.20 -1.00 -1.10 116.97 118.12 1ssn h TYR 63 Ca 0.04 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 1ssn h TYR 63 Cb 0.70 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1ssn h TYR 63 CO 0.02 0.13 -0.21 -0.39 -1.64 0.00 0.00 178.16 176.07 1ssn h VAL 64 N -0.13 1.27 -0.38 1.81 -1.51 -1.34 -2.60 116.25 113.37 1ssn h VAL 64 Ca 0.00 -1.31 -0.01 0.00 -1.23 0.00 0.00 66.70 64.16 1ssn h VAL 64 Cb 0.13 1.19 -0.02 0.00 -2.13 0.00 0.00 31.29 30.46 1ssn h VAL 64 CO -0.00 0.44 0.21 -0.33 -1.23 0.00 0.00 177.57 176.66 1ssn h GLU 65 N 0.66 0.52 -0.71 5.19 5.08 -1.43 -2.35 114.58 121.54 1ssn h GLU 65 Ca 0.10 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1ssn h GLU 65 Cb 0.71 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1ssn h GLU 65 CO 0.05 0.41 0.29 -1.49 -1.00 0.00 0.00 179.01 177.28 1ssn h TRP 66 N 0.48 1.07 -0.37 4.33 -0.00 -1.13 -2.74 115.95 117.59 1ssn h TRP 66 Ca 0.13 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.89 58.94 1ssn h TRP 66 Cb 0.04 -0.32 -0.02 0.00 -0.00 0.00 0.00 29.16 28.86 1ssn h TRP 66 CO -0.03 0.82 0.20 0.00 -0.00 0.00 0.00 178.44 179.43 1ssn h ALA 67 N 1.14 0.47 0.00 1.49 0.00 -1.29 -2.97 119.26 118.09 1ssn h ALA 67 Ca 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ssn h ALA 67 Cb 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ssn h ALA 67 CO -0.02 -0.00 0.00 1.47 0.00 0.00 0.00 179.25 180.70 1ssn n LEU 68 N -4.76 0.37 0.00 0.00 -0.00 -0.90 -3.73 117.00 107.98 1ssn n LEU 68 Ca -0.00 0.55 0.07 0.00 -0.00 0.00 0.00 56.01 56.63 1ssn n LEU 68 Cb 0.08 -0.46 0.43 0.00 -0.00 0.00 0.00 43.42 43.47 1ssn n LEU 68 CO 0.35 -0.20 0.66 0.47 -0.00 0.00 0.00 177.39 178.67 1ssn n ASP 69 N -1.87 0.00 -0.73 1.45 8.00 -1.04 -1.11 116.55 121.25 1ssn n ASP 69 Ca 0.05 -0.85 0.03 0.00 0.71 0.00 0.00 54.79 54.73 1ssn n ASP 69 Cb 0.32 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.54 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 -0.85 2.73 0.00 2.24 0.00 -1.24 -4.49 120.51 118.89 1ssn n ALA 70 Ca 0.11 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1ssn n ALA 70 Cb 0.05 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1ssn n ALA 70 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ssn n THR 71 N 0.23 0.00 -3.53 0.00 5.66 -1.02 -5.05 114.28 110.58 1ssn n THR 71 Ca 0.09 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.70 1ssn n THR 71 Cb 0.40 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.14 1ssn n THR 71 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ssn n ALA 72 N -2.01 3.98 0.00 1.79 0.00 -0.27 -3.76 120.51 120.24 1ssn n ALA 72 Ca 0.00 -4.63 0.00 0.00 0.00 0.00 0.00 53.44 48.81 1ssn n ALA 72 Cb 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.49 1ssn n ALA 72 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1ssn n TYR 73 N 2.39 0.00 0.40 0.00 4.11 -1.26 -4.15 117.16 118.65 1ssn n TYR 73 Ca 0.23 0.00 -0.19 0.00 -0.00 0.00 0.00 57.90 57.94 1ssn n TYR 73 Cb 0.38 0.11 -0.09 0.00 -0.00 0.00 0.00 39.34 39.73 1ssn n TYR 73 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.86 176.64 1ssn h LYS 74 N 0.00 -0.96 -2.83 -3.48 3.64 -1.93 -3.31 116.57 107.69 1ssn h LYS 74 Ca 0.00 0.07 -0.72 0.00 -1.27 0.00 0.00 60.65 58.72 1ssn h LYS 74 Cb 0.36 0.22 -0.34 0.00 -0.41 0.00 0.00 32.23 32.06 1ssn h LYS 74 CO 0.00 -0.64 0.16 -1.91 -2.27 0.00 0.00 179.45 174.79 1ssn n GLU 75 N -5.52 3.44 -2.83 1.90 2.13 -1.26 -4.65 120.64 113.85 1ssn n GLU 75 Ca -0.14 -4.57 -0.08 0.00 0.66 0.00 0.00 57.16 53.03 1ssn n GLU 75 Cb 0.40 -2.42 0.01 0.00 0.27 0.00 0.00 31.44 29.70 1ssn n GLU 75 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1ssn n PHE 76 N 1.48 -3.35 -0.08 4.31 7.35 -1.25 -4.54 117.46 121.37 1ssn n PHE 76 Ca 0.26 -1.70 -0.13 0.00 -0.76 0.00 0.00 57.45 55.12 1ssn n PHE 76 Cb 0.37 1.34 -0.09 0.00 0.35 0.00 0.00 39.48 41.45 1ssn n PHE 76 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1ssn h ARG 77 N 4.75 0.00 -2.95 -4.13 9.65 -1.64 -3.47 114.38 116.59 1ssn h ARG 77 Ca 0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1ssn h ARG 77 Cb 1.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 1ssn h ARG 77 CO 0.14 0.68 -0.45 0.28 2.80 0.00 0.00 179.97 183.43 1ssn n VAL 78 N -4.58 -7.34 -0.06 0.20 0.31 -1.11 -4.87 118.33 100.89 1ssn n VAL 78 Ca -0.15 1.52 -0.15 0.00 -0.01 0.00 0.00 64.34 65.55 1ssn n VAL 78 Cb 0.43 -4.11 -0.13 0.00 -0.91 0.00 0.00 33.84 29.12 1ssn n VAL 78 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 1ssn h VAL 79 N 1.98 1.70 -4.29 2.52 3.04 -1.82 -3.44 116.25 115.93 1ssn h VAL 79 Ca 0.00 -2.36 -0.23 0.00 -1.01 0.00 0.00 66.70 63.10 1ssn h VAL 79 Cb 0.00 3.29 -0.12 0.00 -2.01 0.00 0.00 31.29 32.45 1ssn h VAL 79 CO 0.00 0.60 -0.39 -1.61 -1.01 0.00 0.00 177.57 175.17 1ssn s GLU 80 N -2.26 1.51 0.19 4.17 2.02 -1.22 -5.08 118.70 118.03 1ssn s GLU 80 Ca -0.19 -1.61 -0.20 0.00 0.02 0.00 0.00 54.97 52.99 1ssn s GLU 80 Cb -0.02 0.36 0.04 0.00 0.10 0.00 0.00 34.13 34.62 1ssn s GLU 80 CO 0.70 -0.57 0.57 -0.48 0.02 0.00 0.00 175.26 175.49 1ssn s LEU 81 N -3.17 -0.17 -0.11 1.80 2.34 -1.26 -1.32 118.68 116.79 1ssn s LEU 81 Ca 0.33 -0.31 -0.30 0.00 0.06 0.00 0.00 54.13 53.92 1ssn s LEU 81 Cb 0.03 2.36 -0.02 0.00 -0.56 0.00 0.00 46.19 47.99 1ssn s LEU 81 CO 0.15 -1.04 1.24 -1.81 -1.06 0.00 0.00 176.35 173.83 1ssn s ASP 82 N -2.83 6.99 0.24 1.48 1.11 -0.99 -4.92 116.67 117.75 1ssn s ASP 82 Ca 0.06 1.77 0.05 0.00 0.18 0.00 0.00 52.55 54.61 1ssn s ASP 82 Cb -0.01 -2.55 0.26 0.00 1.07 0.00 0.00 42.92 41.69 1ssn s ASP 82 CO -0.06 -0.68 1.56 1.55 1.18 0.00 0.00 175.17 178.73 1ssn h PRO 83 N 7.85 0.21 -4.81 8.23 0.13 -2.01 -3.35 132.00 138.26 1ssn h PRO 83 Ca -0.31 -0.15 -0.70 0.00 -0.87 0.00 0.00 66.00 63.97 1ssn h PRO 83 Cb 1.13 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 1ssn h PRO 83 CO 0.92 0.75 2.61 0.43 -0.23 0.00 0.00 178.00 182.49 1ssn n SER 84 N -3.87 4.45 -4.69 1.44 7.64 -1.26 -4.97 113.62 112.36 1ssn n SER 84 Ca -0.02 -2.89 -0.30 0.00 1.01 0.00 0.00 58.87 56.66 1ssn n SER 84 Cb 0.62 -1.69 0.15 0.00 -1.01 0.00 0.00 64.21 62.28 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 3.43 1.43 -0.11 -0.43 0.00 -1.26 -4.94 121.76 119.88 1ssn s ALA 85 Ca 0.49 0.21 -0.14 0.00 0.00 0.00 0.00 51.96 52.53 1ssn s ALA 85 Cb 0.09 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.94 1ssn s ALA 85 CO -0.01 -2.54 0.37 -1.59 0.00 0.00 0.00 175.76 172.00 1ssn s LYS 86 N -4.77 0.51 -0.19 0.00 0.00 -1.26 -3.27 119.74 110.76 1ssn s LYS 86 Ca 0.65 0.36 0.00 0.00 0.00 0.00 0.00 55.97 56.97 1ssn s LYS 86 Cb -0.20 0.24 0.05 0.00 0.00 0.00 0.00 37.83 37.92 1ssn s LYS 86 CO 0.58 -0.09 -0.06 0.42 0.00 0.00 0.00 175.35 176.20 1ssn s ILE 87 N -0.19 1.32 -1.18 3.79 1.09 -0.11 -3.20 121.20 122.73 1ssn s ILE 87 Ca -0.03 -0.88 -0.09 0.00 -1.10 0.00 0.00 60.65 58.55 1ssn s ILE 87 Cb -0.03 -1.51 0.23 0.00 -1.06 0.00 0.00 42.46 40.09 1ssn s ILE 87 CO 0.02 0.06 1.49 -0.62 -0.10 0.00 0.00 174.94 175.78 1ssn n GLU 88 N 4.78 3.75 -1.99 2.79 1.02 -0.93 -2.09 120.64 127.99 1ssn n GLU 88 Ca -0.12 -4.09 -0.42 0.00 -0.02 0.00 0.00 57.16 52.51 1ssn n GLU 88 Cb 0.46 -2.76 -0.03 0.00 -0.02 0.00 0.00 31.44 29.09 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 -0.50 3.44 -1.35 2.62 0.11 -1.12 -3.10 120.40 120.49 1ssn s VAL 89 Ca 0.36 0.43 -0.10 0.00 -2.93 0.00 0.00 61.98 59.74 1ssn s VAL 89 Cb 0.01 -3.66 0.11 0.00 -1.53 0.00 0.00 36.38 31.31 1ssn s VAL 89 CO 0.01 -0.46 2.11 0.41 -3.33 0.00 0.00 175.10 173.84 1ssn n THR 90 N 7.41 4.30 -1.58 5.04 -1.04 -0.80 -2.20 114.28 125.40 1ssn n THR 90 Ca 0.23 -3.96 -0.36 0.00 -2.04 0.00 0.00 64.05 57.92 1ssn n THR 90 Cb 0.48 -2.39 -0.03 0.00 -1.82 0.00 0.00 70.33 66.57 1ssn n THR 90 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1ssn s TYR 91 N 0.86 1.10 -0.03 -1.42 1.13 -0.68 -4.30 117.35 114.00 1ssn s TYR 91 Ca 0.46 1.55 0.03 0.00 -1.41 0.00 0.00 57.07 57.69 1ssn s TYR 91 Cb 0.13 -3.60 0.00 0.00 -1.10 0.00 0.00 41.96 37.39 1ssn s TYR 91 CO -0.04 -2.50 -0.11 -0.47 -2.51 0.00 0.00 175.55 169.93 1ssn s TYR 92 N 12.15 1.15 -0.30 -3.49 5.04 -1.26 -2.07 117.35 128.57 1ssn s TYR 92 Ca 0.96 -0.32 -0.11 0.00 -2.44 0.00 0.00 57.07 55.16 1ssn s TYR 92 Cb -0.17 -0.82 0.12 0.00 0.35 0.00 0.00 41.96 41.45 1ssn s TYR 92 CO 0.25 -0.14 0.67 0.34 -1.34 0.00 0.00 175.55 175.33 1ssn s ASP 93 N 0.25 -1.11 -1.30 4.32 2.15 -1.24 -3.55 116.67 116.19 1ssn s ASP 93 Ca -0.05 1.55 -0.08 0.00 0.43 0.00 0.00 52.55 54.40 1ssn s ASP 93 Cb -0.10 2.17 0.15 0.00 -0.30 0.00 0.00 42.92 44.84 1ssn s ASP 93 CO 0.01 -0.22 2.10 1.17 -0.17 0.00 0.00 175.17 178.06 1ssn n LYS 94 N 5.29 4.06 0.00 4.34 3.00 -1.26 -2.07 118.16 131.52 1ssn n LYS 94 Ca -0.13 -3.51 0.00 0.00 -0.00 0.00 0.00 58.31 54.67 1ssn n LYS 94 Cb 0.50 -2.79 0.00 0.00 0.00 0.00 0.00 35.03 32.74 1ssn n LYS 94 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1ssn n ASN 95 N 2.89 0.00 0.00 3.14 3.02 -1.26 -4.92 115.26 118.13 1ssn n ASN 95 Ca 0.49 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 1ssn n ASN 95 Cb 0.31 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 1ssn n ASN 95 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1ssn n LYS 96 N -2.25 0.00 0.08 3.52 0.00 -1.25 -5.00 118.16 113.26 1ssn n LYS 96 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 1ssn n LYS 96 Cb 0.00 -0.45 -0.15 0.00 -0.00 0.00 0.00 35.03 34.43 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 0.38 -1.69 -1.58 1.63 -1.83 -3.51 116.57 109.96 1ssn h LYS 97 Ca 0.00 -0.64 0.19 0.00 -0.85 0.00 0.00 60.65 59.35 1ssn h LYS 97 Cb 0.00 0.24 -0.07 0.00 -0.60 0.00 0.00 32.23 31.80 1ssn h LYS 97 CO 0.00 1.31 -0.40 1.63 -3.45 0.00 0.00 179.45 178.54 1ssn n LYS 98 N -3.95 -1.56 -2.42 1.90 5.02 -0.88 -4.61 118.16 111.67 1ssn n LYS 98 Ca -0.17 1.13 -0.38 0.00 -2.02 0.00 0.00 58.31 56.86 1ssn n LYS 98 Cb 0.93 -1.88 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 1ssn n LYS 98 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1ssn s GLU 99 N -2.31 3.21 0.27 1.97 2.12 -1.26 -3.70 118.70 119.00 1ssn s GLU 99 Ca 0.00 -0.56 0.01 0.00 0.36 0.00 0.00 54.97 54.79 1ssn s GLU 99 Cb 0.00 -4.88 -0.04 0.00 0.26 0.00 0.00 34.13 29.48 1ssn s GLU 99 CO 0.00 -2.44 0.45 -1.21 -0.54 0.00 0.00 175.26 171.52 1ssn s GLU 100 N 5.74 3.49 -0.18 4.30 0.41 -0.88 -5.00 118.70 126.58 1ssn s GLU 100 Ca 0.49 -0.45 -0.04 0.00 -0.41 0.00 0.00 54.97 54.56 1ssn s GLU 100 Cb -0.05 -2.78 0.06 0.00 -1.78 0.00 0.00 34.13 29.58 1ssn s GLU 100 CO 0.02 0.30 0.05 0.99 -0.49 0.00 0.00 175.26 176.14 1ssn s THR 101 N -2.08 0.29 -0.58 3.63 2.01 -1.26 -1.69 115.64 115.96 1ssn s THR 101 Ca 0.38 -0.38 -0.18 0.00 0.31 0.00 0.00 61.69 61.81 1ssn s THR 101 Cb -0.10 -0.84 0.10 0.00 0.01 0.00 0.00 72.50 71.67 1ssn s THR 101 CO 0.32 -0.22 0.66 -0.75 -0.69 0.00 0.00 174.62 173.94 1ssn s LYS 102 N 1.97 3.04 -1.37 4.92 2.47 -0.93 -4.97 119.74 124.86 1ssn s LYS 102 Ca 0.00 -1.34 -0.09 0.00 -1.56 0.00 0.00 55.97 52.98 1ssn s LYS 102 Cb -0.16 -4.26 0.10 0.00 -1.46 0.00 0.00 37.83 32.04 1ssn s LYS 102 CO -0.08 -1.48 2.26 -1.13 0.16 0.00 0.00 175.35 175.08 1ssn n SER 103 N 6.14 6.43 -4.75 1.43 3.41 -1.26 -2.81 113.62 122.20 1ssn n SER 103 Ca -0.10 -3.00 -0.41 0.00 -0.26 0.00 0.00 58.87 55.10 1ssn n SER 103 Cb 0.42 -1.48 -0.02 0.00 -0.26 0.00 0.00 64.21 62.87 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 0.55 3.03 0.00 7.33 5.36 -0.89 -4.82 117.98 128.54 1ssn s PHE 104 Ca 0.50 1.16 0.00 0.00 -0.96 0.00 0.00 56.93 57.63 1ssn s PHE 104 Cb 0.14 -3.77 0.00 0.00 -0.34 0.00 0.00 43.02 39.05 1ssn s PHE 104 CO -0.05 -2.38 0.00 -0.35 -1.46 0.00 0.00 175.22 170.98 1ssn n PRO 105 N 1.82 0.00 -3.49 10.12 -0.04 -1.26 -0.93 135.00 141.22 1ssn n PRO 105 Ca 0.04 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.35 1ssn n PRO 105 Cb 0.41 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.82 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 -0.06 0.52 1.10 -1.20 -3.97 121.20 117.58 1ssn s ILE 106 Ca 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.15 1ssn s ILE 106 Cb 0.00 -1.00 0.02 0.00 0.15 0.00 0.00 42.46 41.63 1ssn s ILE 106 CO 0.00 0.00 -0.09 0.42 -2.11 0.00 0.00 174.94 173.16 1ssn s THR 107 N -2.12 0.92 0.41 4.00 -4.23 -1.26 -4.98 115.64 108.38 1ssn s THR 107 Ca -0.06 -0.33 0.25 0.00 -1.18 0.00 0.00 61.69 60.37 1ssn s THR 107 Cb -0.00 -0.88 0.27 0.00 1.34 0.00 0.00 72.50 73.23 1ssn s THR 107 CO 0.01 0.31 2.05 -0.08 -0.54 0.00 0.00 174.62 176.37 1ssn h GLU 108 N 7.22 0.00 0.26 3.99 4.57 -1.95 -3.29 114.58 125.37 1ssn h GLU 108 Ca -0.33 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.85 1ssn h GLU 108 Cb 1.17 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 1ssn h GLU 108 CO 0.46 0.14 -0.25 -0.22 -1.18 0.00 0.00 179.01 177.96 1ssn h LYS 109 N 0.00 -0.48 0.00 1.92 3.64 -1.95 -3.44 116.57 116.25 1ssn h LYS 109 Ca -0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1ssn h LYS 109 Cb 0.35 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1ssn h LYS 109 CO 0.02 -0.32 0.00 0.41 -2.27 0.00 0.00 179.45 177.29 1ssn n GLY 110 N -1.28 3.85 3.56 5.01 0.00 -1.24 -5.02 105.19 110.07 1ssn n GLY 110 Ca -0.06 -1.46 -0.09 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.38 -0.92 0.36 1.61 -0.71 -1.17 -4.95 117.98 110.82 1ssn s PHE 111 Ca 0.00 1.91 -0.27 0.00 -1.04 0.00 0.00 56.93 57.53 1ssn s PHE 111 Cb 0.00 0.50 -0.09 0.00 -1.21 0.00 0.00 43.02 42.22 1ssn s PHE 111 CO 0.00 -0.46 1.24 0.08 -1.34 0.00 0.00 175.22 174.73 1ssn s VAL 112 N 1.38 2.93 -0.06 -2.49 1.01 -1.26 -1.19 120.40 120.72 1ssn s VAL 112 Ca -0.08 0.87 -0.29 0.00 0.00 0.00 0.00 61.98 62.48 1ssn s VAL 112 Cb -0.06 -3.53 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 1ssn s VAL 112 CO -0.15 0.16 1.95 -0.69 0.00 0.00 0.00 175.10 176.37 1ssn s VAL 113 N -1.24 3.15 0.06 2.92 1.01 -1.11 -4.88 120.40 120.31 1ssn s VAL 113 Ca 0.52 0.18 0.29 0.00 0.00 0.00 0.00 61.98 62.97 1ssn s VAL 113 Cb -0.36 -3.14 0.32 0.00 0.00 0.00 0.00 36.38 33.21 1ssn s VAL 113 CO 0.46 -0.04 1.88 1.55 0.00 0.00 0.00 175.10 178.95 1ssn h PRO 114 N 11.45 0.00 -4.29 2.72 0.13 -1.94 -3.35 132.00 136.72 1ssn h PRO 114 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ssn h PRO 114 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ssn h PRO 114 CO 0.95 0.09 -0.20 -3.47 -0.23 0.00 0.00 178.00 175.14 1ssn n ASP 115 N -3.21 -5.33 -3.49 1.44 2.03 -1.26 -4.63 116.55 102.10 1ssn n ASP 115 Ca 0.01 0.21 -0.20 0.00 0.52 0.00 0.00 54.79 55.32 1ssn n ASP 115 Cb 0.38 -3.46 0.00 0.00 -0.72 0.00 0.00 41.12 37.32 1ssn n ASP 115 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ssn n LEU 116 N -0.68 -1.42 0.00 -2.67 -0.00 -1.26 -4.75 117.00 106.22 1ssn n LEU 116 Ca 0.05 -0.74 0.00 0.00 -0.00 0.00 0.00 56.01 55.32 1ssn n LEU 116 Cb 0.33 -1.24 0.00 0.00 -0.00 0.00 0.00 43.42 42.50 1ssn n LEU 116 CO 0.28 0.31 0.00 -0.24 -0.00 0.00 0.00 177.39 177.74 1ssn n SER 117 N -1.84 0.00 0.00 1.45 2.88 -1.26 -4.60 113.62 110.24 1ssn n SER 117 Ca -0.25 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.29 1ssn n SER 117 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 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 0.00 0.00 -0.83 -1.46 0.00 -1.26 -4.98 120.64 112.11 1ssn n GLU 118 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.06 1ssn n GLU 118 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.39 1ssn n GLU 118 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 1ssn n HIS 119 N -0.77 0.50 -3.54 -1.84 1.44 -1.26 -4.78 115.22 104.97 1ssn n HIS 119 Ca 0.00 -1.45 -0.10 0.00 -2.01 0.00 0.00 57.72 54.17 1ssn n HIS 119 Cb 0.00 -1.00 -0.04 0.00 0.12 0.00 0.00 29.99 29.08 1ssn n HIS 119 CO 0.00 0.00 0.00 -1.50 -2.81 0.00 0.00 176.34 172.03 1ssn s ILE 120 N -0.46 0.00 0.00 0.61 2.07 -1.26 -4.85 121.20 117.31 1ssn s ILE 120 Ca 0.32 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.56 1ssn s ILE 120 Cb 0.18 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.77 1ssn s ILE 120 CO -0.03 0.00 0.00 1.17 -1.91 0.00 0.00 174.94 174.17 1ssn n LYS 121 N 0.23 1.42 -3.08 3.50 0.00 -1.26 -4.95 118.16 114.02 1ssn n LYS 121 Ca -0.10 0.00 -0.16 0.00 0.00 0.00 0.00 58.31 58.05 1ssn n LYS 121 Cb 0.60 -0.12 -0.04 0.00 0.00 0.00 0.00 35.03 35.47 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 0.00 -1.78 0.00 3.14 2.04 -1.23 -3.21 115.26 114.22 1ssn n ASN 122 Ca 0.00 -2.68 0.00 0.00 -0.44 0.00 0.00 54.58 51.46 1ssn n ASN 122 Cb 0.00 0.52 0.00 0.00 -2.53 0.00 0.00 39.78 37.77 1ssn n ASN 122 CO 0.00 0.00 0.00 -2.65 -0.44 0.00 0.00 177.26 174.17 1ssn n PRO 123 N 2.67 0.00 0.00 -0.53 -0.02 -1.26 -3.99 135.00 131.87 1ssn n PRO 123 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1ssn n PRO 123 Cb 0.53 -0.34 0.00 0.00 -0.02 0.00 0.00 33.50 33.67 1ssn n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ssn n GLY 124 N 2.22 0.75 3.55 -1.23 0.00 -1.23 -4.28 105.19 104.97 1ssn n GLY 124 Ca 0.00 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.36 1.68 -0.68 1.61 0.40 -0.92 -1.90 117.98 117.80 1ssn s PHE 125 Ca 0.00 0.81 -0.16 0.00 -0.60 0.00 0.00 56.93 56.98 1ssn s PHE 125 Cb 0.00 -4.02 0.17 0.00 0.51 0.00 0.00 43.02 39.68 1ssn s PHE 125 CO 0.00 -2.03 0.66 -0.80 0.70 0.00 0.00 175.22 173.75 1ssn s ASN 126 N 8.39 6.45 -0.71 1.36 0.01 -1.18 -1.44 114.94 127.82 1ssn s ASN 126 Ca 0.71 -2.15 -0.26 0.00 -0.71 0.00 0.00 52.86 50.45 1ssn s ASN 126 Cb -0.10 -2.23 0.00 0.00 0.41 0.00 0.00 41.25 39.33 1ssn s ASN 126 CO 0.11 -0.77 1.62 -0.76 -1.51 0.00 0.00 177.10 175.79 1ssn s LEU 127 N 1.14 3.24 -0.24 0.60 2.01 -0.46 -2.18 118.68 122.80 1ssn s LEU 127 Ca 0.11 -0.17 0.01 0.00 0.01 0.00 0.00 54.13 54.09 1ssn s LEU 127 Cb -0.20 -2.55 0.06 0.00 0.01 0.00 0.00 46.19 43.52 1ssn s LEU 127 CO -0.02 -2.15 -0.05 -0.63 1.01 0.00 0.00 176.35 174.51 1ssn s ILE 128 N 7.63 1.55 -0.06 -0.59 1.01 -1.19 -2.53 121.20 127.01 1ssn s ILE 128 Ca 0.54 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1ssn s ILE 128 Cb -0.09 -1.82 0.02 0.00 0.01 0.00 0.00 42.46 40.58 1ssn s ILE 128 CO 0.15 -0.11 -0.04 -0.89 0.00 0.00 0.00 174.94 174.05 1ssn s THR 129 N 1.38 0.56 0.10 2.92 2.01 -1.25 -4.07 115.64 117.29 1ssn s THR 129 Ca -0.06 -0.08 -0.31 0.00 0.31 0.00 0.00 61.69 61.56 1ssn s THR 129 Cb -0.19 -0.62 -0.08 0.00 0.01 0.00 0.00 72.50 71.62 1ssn s THR 129 CO -0.06 0.26 1.49 -0.75 -0.69 0.00 0.00 174.62 174.86 1ssn s LYS 130 N 1.33 4.26 -0.05 4.92 2.20 -1.26 -3.00 119.74 128.14 1ssn s LYS 130 Ca -0.04 2.18 0.05 0.00 -0.36 0.00 0.00 55.97 57.80 1ssn s LYS 130 Cb -0.14 -3.36 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 1ssn s LYS 130 CO -0.02 -0.56 -0.20 0.14 -0.36 0.00 0.00 175.35 174.34 1ssn s VAL 131 N 1.66 2.52 -0.78 4.02 -7.23 -1.16 -2.33 120.40 117.09 1ssn s VAL 131 Ca 0.68 -0.92 -0.20 0.00 -1.81 0.00 0.00 61.98 59.73 1ssn s VAL 131 Cb -0.38 -1.94 0.11 0.00 0.56 0.00 0.00 36.38 34.73 1ssn s VAL 131 CO 0.30 0.58 0.98 -0.69 -0.31 0.00 0.00 175.10 175.96 1ssn s VAL 132 N -0.50 4.68 0.12 1.32 1.01 -0.44 -2.56 120.40 124.04 1ssn s VAL 132 Ca 0.06 -1.18 -0.31 0.00 0.00 0.00 0.00 61.98 60.56 1ssn s VAL 132 Cb -0.11 -4.68 -0.07 0.00 0.00 0.00 0.00 36.38 31.51 1ssn s VAL 132 CO 0.01 -1.40 1.28 -0.63 0.00 0.00 0.00 175.10 174.37 1ssn s ILE 133 N 2.93 3.57 -0.14 2.22 1.01 -0.55 -2.75 121.20 127.50 1ssn s ILE 133 Ca 0.25 1.18 -0.04 0.00 0.00 0.00 0.00 60.65 62.04 1ssn s ILE 133 Cb -0.12 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 1ssn s ILE 133 CO -0.01 0.12 0.01 -0.70 0.00 0.00 0.00 174.94 174.36 1ssn s GLU 134 N 0.69 3.51 -0.28 2.79 2.12 -1.26 -4.66 118.70 121.62 1ssn s GLU 134 Ca 0.60 -0.41 -0.25 0.00 0.36 0.00 0.00 54.97 55.26 1ssn s GLU 134 Cb -0.34 -2.97 0.00 0.00 0.26 0.00 0.00 34.13 31.09 1ssn s GLU 134 CO 0.32 0.44 0.87 0.15 -0.54 0.00 0.00 175.26 176.50 1ssn s LYS 135 N -0.14 4.09 0.00 4.30 1.02 -1.26 -1.64 119.74 126.11 1ssn s LYS 135 Ca 0.05 0.87 0.20 0.00 0.02 0.00 0.00 55.97 57.11 1ssn s LYS 135 Cb -0.12 -3.69 1.22 0.00 -0.52 0.00 0.00 37.83 34.71 1ssn s LYS 135 CO 0.02 -0.65 1.60 1.17 -0.92 0.00 0.00 175.35 176.57