#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 -1.44 0.00 -3.46 2.88 -1.24 -4.63 113.62 105.73 1ssn n SER 2 Ca 0.00 -0.78 0.00 0.00 -1.33 0.00 0.00 58.87 56.76 1ssn n SER 2 Cb 0.00 -4.25 0.00 0.00 -0.75 0.00 0.00 64.21 59.21 1ssn n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ssn n SER 3 N -3.06 0.00 -3.26 -3.46 3.41 -1.26 -4.53 113.62 101.46 1ssn n SER 3 Ca -0.29 -0.76 -0.08 0.00 -0.26 0.00 0.00 58.87 57.49 1ssn n SER 3 Cb 0.67 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.63 1ssn n SER 3 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1ssn n PHE 4 N 0.00 -2.70 -2.67 7.33 7.35 -1.15 -4.90 117.46 120.72 1ssn n PHE 4 Ca 0.00 1.03 -0.43 0.00 -0.76 0.00 0.00 57.45 57.29 1ssn n PHE 4 Cb 0.25 -3.79 0.00 0.00 0.35 0.00 0.00 39.48 36.30 1ssn n PHE 4 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1ssn n ASP 5 N -2.07 5.14 0.16 -2.13 2.03 -1.01 -4.15 116.55 114.52 1ssn n ASP 5 Ca -0.08 -3.03 0.00 0.00 0.52 0.00 0.00 54.79 52.20 1ssn n ASP 5 Cb 0.55 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 1ssn n ASP 5 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1ssn n LYS 6 N 4.99 0.00 -1.71 -0.67 4.81 -1.26 -4.83 118.16 119.49 1ssn n LYS 6 Ca 0.39 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.82 1ssn n LYS 6 Cb 0.40 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.45 1ssn n LYS 6 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ssn n GLY 7 N -1.46 -3.17 3.45 3.14 0.00 -1.26 -4.72 105.19 101.17 1ssn n GLY 7 Ca 0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 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 0.18 -5.59 -0.03 1.61 4.76 -1.26 -4.96 118.16 112.87 1ssn n LYS 8 Ca -0.02 0.81 -0.01 0.00 -2.87 0.00 0.00 58.31 56.21 1ssn n LYS 8 Cb 0.03 -5.72 -0.00 0.00 -1.84 0.00 0.00 35.03 27.50 1ssn n LYS 8 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 1ssn h TYR 9 N -1.77 0.00 -1.81 2.13 3.20 -1.84 -3.47 116.97 113.41 1ssn h TYR 9 Ca -0.60 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.27 1ssn h TYR 9 Cb 1.34 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.61 1ssn h TYR 9 CO 0.42 0.00 -0.20 1.63 -1.64 0.00 0.00 178.16 178.37 1ssn n LYS 10 N -3.44 -1.17 -0.20 1.82 4.76 -0.75 -4.90 118.16 114.28 1ssn n LYS 10 Ca -0.02 1.23 0.01 0.00 -2.87 0.00 0.00 58.31 56.66 1ssn n LYS 10 Cb 0.07 -0.96 0.10 0.00 -1.84 0.00 0.00 35.03 32.40 1ssn n LYS 10 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1ssn h LYS 11 N 0.91 0.14 0.00 1.97 1.63 -1.75 -3.45 116.57 116.02 1ssn h LYS 11 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1ssn h LYS 11 Cb 0.00 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1ssn h LYS 11 CO 0.00 0.09 0.00 0.41 -3.45 0.00 0.00 179.45 176.50 1ssn n GLY 12 N -1.35 0.81 3.42 5.01 0.00 -1.26 -5.04 105.19 106.78 1ssn n GLY 12 Ca 0.09 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1ssn n GLY 12 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ssn n ASP 13 N 0.00 -6.34 -2.48 1.61 2.03 -1.26 -4.91 116.55 105.20 1ssn n ASP 13 Ca 0.00 -0.59 -0.29 0.00 0.52 0.00 0.00 54.79 54.43 1ssn n ASP 13 Cb 0.00 -3.90 -0.00 0.00 -0.72 0.00 0.00 41.12 36.50 1ssn n ASP 13 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ssn n ASP 14 N -2.34 6.85 -2.67 1.67 8.00 -1.26 -4.41 116.55 122.39 1ssn n ASP 14 Ca -0.11 -3.39 -0.05 0.00 0.71 0.00 0.00 54.79 51.95 1ssn n ASP 14 Cb 0.58 -1.14 0.07 0.00 -0.02 0.00 0.00 41.12 40.61 1ssn n ASP 14 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ssn n ALA 15 N 0.27 -3.34 -0.13 2.24 0.00 -1.26 -4.78 120.51 113.51 1ssn n ALA 15 Ca 0.48 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1ssn n ALA 15 Cb 0.49 -3.03 0.00 0.00 0.00 0.00 0.00 19.45 16.91 1ssn n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ssn n SER 16 N 1.55 0.00 -2.48 0.00 2.88 -1.26 -4.73 113.62 109.58 1ssn n SER 16 Ca 0.02 0.74 -0.02 0.00 -1.33 0.00 0.00 58.87 58.29 1ssn n SER 16 Cb 0.70 -0.44 0.11 0.00 -0.75 0.00 0.00 64.21 63.83 1ssn n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ssn n TYR 17 N -1.81 -1.77 -3.46 0.66 9.36 -1.26 -5.08 117.16 113.80 1ssn n TYR 17 Ca 0.00 -1.48 -0.02 0.00 3.32 0.00 0.00 57.90 59.72 1ssn n TYR 17 Cb 0.00 1.42 -0.05 0.00 -0.63 0.00 0.00 39.34 40.08 1ssn n TYR 17 CO 0.00 0.00 0.00 0.12 0.22 0.00 0.00 176.86 177.20 1ssn s PHE 18 N 0.11 -1.25 0.41 2.98 5.36 -1.26 -5.00 117.98 119.33 1ssn s PHE 18 Ca 0.08 1.80 0.00 0.00 -0.96 0.00 0.00 56.93 57.85 1ssn s PHE 18 Cb 0.38 0.54 0.00 0.00 -0.34 0.00 0.00 43.02 43.60 1ssn s PHE 18 CO -0.11 -0.70 0.00 0.39 -1.46 0.00 0.00 175.22 173.34 1ssn n GLU 19 N 5.42 -2.38 -1.16 10.12 1.02 -1.25 -4.38 120.64 128.03 1ssn n GLU 19 Ca -0.07 1.88 -0.33 0.00 -0.02 0.00 0.00 57.16 58.62 1ssn n GLU 19 Cb 0.50 -2.81 -0.10 0.00 -0.02 0.00 0.00 31.44 29.01 1ssn n GLU 19 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1ssn n PRO 20 N -3.77 0.51 -0.13 3.49 -0.02 -1.26 -4.44 135.00 129.39 1ssn n PRO 20 Ca -0.05 -1.57 -0.17 0.00 -2.02 0.00 0.00 63.50 59.68 1ssn n PRO 20 Cb 0.50 -3.19 -0.12 0.00 -0.02 0.00 0.00 33.50 30.67 1ssn n PRO 20 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ssn n THR 21 N 7.60 1.44 0.00 3.45 -2.24 -1.26 -5.03 114.28 118.23 1ssn n THR 21 Ca 0.45 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1ssn n THR 21 Cb 0.44 -1.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 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 2.30 2.52 3.40 3.38 0.00 -1.26 -4.88 105.19 110.65 1ssn n GLY 22 Ca -0.44 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 1ssn n GLY 22 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ssn n PRO 23 N -0.71 -0.95 -3.88 1.61 -0.04 -1.26 -4.78 135.00 124.99 1ssn n PRO 23 Ca 0.00 -1.92 -0.08 0.00 -0.04 0.00 0.00 63.50 61.46 1ssn n PRO 23 Cb 0.00 -1.10 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 1ssn n PRO 23 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1ssn s TYR 24 N -3.41 -0.04 -0.38 0.54 -0.85 -1.24 -4.63 117.35 107.33 1ssn s TYR 24 Ca 0.65 -0.38 0.02 0.00 -0.52 0.00 0.00 57.07 56.85 1ssn s TYR 24 Cb -0.02 0.54 0.16 0.00 0.38 0.00 0.00 41.96 43.02 1ssn s TYR 24 CO 0.45 -1.14 0.32 -1.17 -1.52 0.00 0.00 175.55 172.49 1ssn s LEU 25 N -2.94 0.75 -1.01 -3.49 2.96 -0.17 -2.37 118.68 112.41 1ssn s LEU 25 Ca 0.14 -2.32 -0.22 0.00 -0.22 0.00 0.00 54.13 51.51 1ssn s LEU 25 Cb -0.04 -0.08 0.07 0.00 0.50 0.00 0.00 46.19 46.65 1ssn s LEU 25 CO 0.06 -0.24 1.38 -0.04 -1.32 0.00 0.00 176.35 176.19 1ssn s MET 26 N 0.81 3.61 -0.88 1.98 -1.94 -0.81 -2.83 119.30 119.23 1ssn s MET 26 Ca 0.23 -1.33 -0.20 0.00 -1.71 0.00 0.00 55.69 52.68 1ssn s MET 26 Cb -0.11 -5.25 0.11 0.00 2.01 0.00 0.00 34.83 31.59 1ssn s MET 26 CO -0.07 -2.09 1.12 0.08 -0.01 0.00 0.00 175.02 174.05 1ssn s VAL 27 N 4.32 4.59 0.27 -6.03 1.01 -1.25 -2.20 120.40 121.11 1ssn s VAL 27 Ca 0.43 -1.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 1ssn s VAL 27 Cb -0.01 -4.78 -0.01 0.00 0.00 0.00 0.00 36.38 31.58 1ssn s VAL 27 CO -0.09 -1.53 0.43 0.20 0.00 0.00 0.00 175.10 174.11 1ssn s ASN 28 N 3.76 0.23 0.03 3.32 -0.87 -1.11 -4.72 114.94 115.58 1ssn s ASN 28 Ca 0.32 -1.16 -0.03 0.00 -1.57 0.00 0.00 52.86 50.42 1ssn s ASN 28 Cb -0.07 0.58 -0.02 0.00 -0.02 0.00 0.00 41.25 41.73 1ssn s ASN 28 CO -0.06 -1.15 0.02 0.68 -2.57 0.00 0.00 177.10 174.02 1ssn s VAL 29 N -3.73 0.14 -0.75 1.60 -7.23 -1.26 -3.79 120.40 105.38 1ssn s VAL 29 Ca 0.27 -1.12 -0.18 0.00 -1.81 0.00 0.00 61.98 59.14 1ssn s VAL 29 Cb 0.00 -0.72 0.14 0.00 0.56 0.00 0.00 36.38 36.37 1ssn s VAL 29 CO 0.13 -0.62 0.85 -0.89 -0.31 0.00 0.00 175.10 174.26 1ssn s THR 30 N -2.29 4.98 -0.16 5.32 2.01 -0.44 -3.69 115.64 121.36 1ssn s THR 30 Ca -0.08 -1.52 -0.29 0.00 0.31 0.00 0.00 61.69 60.11 1ssn s THR 30 Cb -0.04 -4.57 -0.04 0.00 0.01 0.00 0.00 72.50 67.86 1ssn s THR 30 CO -0.04 -1.22 1.69 -0.83 -0.69 0.00 0.00 174.62 173.53 1ssn s GLY 31 N 3.27 1.27 0.21 4.40 0.00 -1.14 -2.39 107.32 112.94 1ssn s GLY 31 Ca 0.19 0.66 0.10 0.00 0.00 0.00 0.00 44.72 45.68 1ssn s GLY 31 CO -0.02 3.09 -0.19 -1.34 0.00 0.00 0.00 173.10 174.64 1ssn s VAL 32 N 5.06 2.09 0.98 1.40 -7.23 -0.60 -1.05 120.40 121.05 1ssn s VAL 32 Ca 0.75 -2.12 -0.16 0.00 -1.81 0.00 0.00 61.98 58.63 1ssn s VAL 32 Cb -0.29 -2.06 0.21 0.00 0.56 0.00 0.00 36.38 34.81 1ssn s VAL 32 CO 0.30 -0.35 1.32 -1.81 -0.31 0.00 0.00 175.10 174.25 1ssn s ASP 33 N -3.01 2.93 0.15 4.85 1.01 -0.89 -1.09 116.67 120.62 1ssn s ASP 33 Ca 0.22 0.27 -0.16 0.00 0.71 0.00 0.00 52.55 53.58 1ssn s ASP 33 Cb -0.05 -0.30 0.01 0.00 1.01 0.00 0.00 42.92 43.59 1ssn s ASP 33 CO 0.09 -2.85 1.81 -1.28 0.21 0.00 0.00 175.17 173.16 1ssn h SER 34 N -1.72 0.45 0.75 0.27 0.87 -1.93 -2.18 113.55 110.06 1ssn h SER 34 Ca -0.44 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 1ssn h SER 34 Cb 1.23 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1ssn h SER 34 CO 0.37 0.33 0.00 0.07 -0.53 0.00 0.00 176.83 177.06 1ssn h LYS 35 N 0.53 0.00 0.00 2.24 2.10 -2.00 -3.47 116.57 115.98 1ssn h LYS 35 Ca 0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.79 1ssn h LYS 35 Cb -0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.27 1ssn h LYS 35 CO -0.03 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.83 1ssn n GLY 36 N -0.12 1.84 3.56 0.07 0.00 -0.82 -5.08 105.19 104.65 1ssn n GLY 36 Ca 0.01 -0.04 -0.42 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 -2.05 6.41 0.02 1.61 0.01 -1.26 -4.74 114.94 114.93 1ssn s ASN 37 Ca 0.00 0.08 -0.30 0.00 -0.71 0.00 0.00 52.86 51.93 1ssn s ASN 37 Cb 0.00 -2.32 -0.07 0.00 0.41 0.00 0.00 41.25 39.27 1ssn s ASN 37 CO 0.00 -0.60 1.58 -0.70 -1.51 0.00 0.00 177.10 175.86 1ssn s GLU 38 N 2.69 4.22 -0.16 -0.60 2.12 -1.26 -2.10 118.70 123.62 1ssn s GLU 38 Ca 0.24 2.18 -0.01 0.00 0.36 0.00 0.00 54.97 57.74 1ssn s GLU 38 Cb -0.14 -3.69 -0.23 0.00 0.26 0.00 0.00 34.13 30.32 1ssn s GLU 38 CO 0.15 -0.72 0.20 1.28 -0.54 0.00 0.00 175.26 175.64 1ssn n LEU 39 N 5.93 2.47 -3.89 2.70 4.32 -0.21 -4.99 117.00 123.32 1ssn n LEU 39 Ca 0.15 0.11 -0.10 0.00 -0.02 0.00 0.00 56.01 56.15 1ssn n LEU 39 Cb 0.42 -0.87 -0.09 0.00 -1.62 0.00 0.00 43.42 41.25 1ssn n LEU 39 CO 0.61 0.82 -0.18 -1.48 -1.22 0.00 0.00 177.39 175.95 1ssn s LEU 40 N -6.73 1.64 0.05 2.23 0.05 -1.18 -4.92 118.68 109.82 1ssn s LEU 40 Ca -0.24 -0.37 -0.02 0.00 0.05 0.00 0.00 54.13 53.56 1ssn s LEU 40 Cb 0.07 0.68 -0.04 0.00 -2.05 0.00 0.00 46.19 44.85 1ssn s LEU 40 CO 0.73 -0.45 0.23 -0.55 -0.55 0.00 0.00 176.35 175.75 1ssn s SER 41 N -1.78 6.39 -1.37 1.48 0.15 -1.26 -2.88 113.70 114.42 1ssn s SER 41 Ca -0.10 0.35 -0.12 0.00 0.70 0.00 0.00 55.95 56.78 1ssn s SER 41 Cb -0.04 -2.00 0.10 0.00 -1.71 0.00 0.00 66.02 62.37 1ssn s SER 41 CO -0.02 0.18 2.05 -0.81 1.20 0.00 0.00 173.24 175.84 1ssn n PRO 42 N 0.47 3.21 -3.51 5.44 -0.04 -1.24 -4.77 135.00 134.56 1ssn n PRO 42 Ca -0.06 -3.05 -0.12 0.00 -0.04 0.00 0.00 63.50 60.23 1ssn n PRO 42 Cb 0.52 -3.13 -0.02 0.00 -0.04 0.00 0.00 33.50 30.82 1ssn n PRO 42 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ssn n HIS 43 N 5.15 -1.26 0.00 0.54 8.25 -1.26 -4.73 115.22 121.91 1ssn n HIS 43 Ca 0.46 -1.89 0.00 0.00 -0.26 0.00 0.00 57.72 56.03 1ssn n HIS 43 Cb 0.38 0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.94 1ssn n HIS 43 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 1ssn n TYR 44 N -0.47 0.00 -3.32 4.41 0.18 -1.26 -4.82 117.16 111.88 1ssn n TYR 44 Ca 0.00 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.40 1ssn n TYR 44 Cb 0.47 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.37 1ssn n TYR 44 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1ssn s VAL 45 N -0.50 4.95 0.26 -3.48 1.01 -1.26 -1.80 120.40 119.58 1ssn s VAL 45 Ca 0.00 1.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.97 1ssn s VAL 45 Cb 0.00 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1ssn s VAL 45 CO 0.00 0.48 0.42 -1.83 0.00 0.00 0.00 175.10 174.17 1ssn s GLU 46 N -0.50 1.58 -0.28 2.72 4.04 -1.26 -3.88 118.70 121.11 1ssn s GLU 46 Ca 0.27 -1.43 -0.19 0.00 0.04 0.00 0.00 54.97 53.67 1ssn s GLU 46 Cb -0.18 0.43 0.08 0.00 0.02 0.00 0.00 34.13 34.49 1ssn s GLU 46 CO 0.15 -0.64 0.74 0.12 -1.84 0.00 0.00 175.26 173.79 1ssn s PHE 47 N -3.80 -0.93 -0.24 4.83 5.36 -1.13 -4.59 117.98 117.47 1ssn s PHE 47 Ca 0.27 1.96 -0.29 0.00 -0.96 0.00 0.00 56.93 57.92 1ssn s PHE 47 Cb 0.01 0.51 -0.03 0.00 -0.34 0.00 0.00 43.02 43.16 1ssn s PHE 47 CO 0.12 -0.46 1.90 -1.25 -1.46 0.00 0.00 175.22 174.07 1ssn s PRO 48 N 1.24 3.43 0.50 10.12 0.04 -1.26 -1.00 135.00 148.07 1ssn s PRO 48 Ca -0.07 1.76 -0.23 0.00 0.04 0.00 0.00 61.00 62.49 1ssn s PRO 48 Cb -0.05 -4.22 -0.06 0.00 0.04 0.00 0.00 34.50 30.21 1ssn s PRO 48 CO -0.14 -1.75 1.38 -1.50 0.04 0.00 0.00 177.00 175.04 1ssn s ILE 49 N 6.78 2.10 -0.46 0.56 2.07 -1.26 -4.96 121.20 126.02 1ssn s ILE 49 Ca 0.85 0.08 0.03 0.00 -1.41 0.00 0.00 60.65 60.20 1ssn s ILE 49 Cb -0.28 -3.04 0.15 0.00 0.13 0.00 0.00 42.46 39.41 1ssn s ILE 49 CO 0.34 0.00 0.29 -0.54 -1.91 0.00 0.00 174.94 173.12 1ssn s LYS 50 N -2.70 1.34 0.66 3.50 1.02 -1.26 -5.04 119.74 117.26 1ssn s LYS 50 Ca 0.67 -2.16 -0.11 0.00 0.02 0.00 0.00 55.97 54.39 1ssn s LYS 50 Cb -0.42 -2.28 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1ssn s LYS 50 CO 0.51 -1.21 1.05 -1.25 -0.92 0.00 0.00 175.35 173.52 1ssn s PRO 51 N 0.11 3.23 0.00 -1.68 0.04 -1.26 -4.54 135.00 130.90 1ssn s PRO 51 Ca 0.21 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.14 1ssn s PRO 51 Cb -0.17 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1ssn s PRO 51 CO -0.05 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.53 1ssn n GLY 52 N -2.23 2.30 3.78 0.56 0.00 -1.16 -5.03 105.19 103.41 1ssn n GLY 52 Ca 0.07 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 1ssn n GLY 52 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ssn s THR 53 N -0.16 3.52 0.89 2.61 -1.32 -1.26 -4.65 115.64 115.26 1ssn s THR 53 Ca 0.00 0.60 -0.12 0.00 -1.21 0.00 0.00 61.69 60.96 1ssn s THR 53 Cb 0.00 -3.15 0.13 0.00 -1.51 0.00 0.00 72.50 67.96 1ssn s THR 53 CO 0.00 -0.54 1.11 0.42 -2.21 0.00 0.00 174.62 173.39 1ssn s THR 54 N -2.67 2.48 -0.28 5.08 -4.23 -1.26 -2.11 115.64 112.65 1ssn s THR 54 Ca 0.63 0.16 -0.09 0.00 -1.18 0.00 0.00 61.69 61.20 1ssn s THR 54 Cb -0.17 -2.79 0.12 0.00 1.34 0.00 0.00 72.50 71.00 1ssn s THR 54 CO 0.48 -0.20 0.60 -0.22 -0.54 0.00 0.00 174.62 174.73 1ssn s LEU 55 N -6.08 -1.05 0.20 4.79 1.98 -0.44 -4.79 118.68 113.30 1ssn s LEU 55 Ca 0.63 1.43 -0.22 0.00 -2.89 0.00 0.00 54.13 53.08 1ssn s LEU 55 Cb -0.16 2.10 0.07 0.00 0.66 0.00 0.00 46.19 48.86 1ssn s LEU 55 CO 0.55 -0.22 1.01 0.28 -1.89 0.00 0.00 176.35 176.08 1ssn s THR 56 N 2.84 0.00 0.16 3.68 -1.32 -1.22 -2.06 115.64 117.73 1ssn s THR 56 Ca -0.04 -0.63 -0.15 0.00 -1.21 0.00 0.00 61.69 59.66 1ssn s THR 56 Cb -0.12 -2.87 0.04 0.00 -1.51 0.00 0.00 72.50 68.04 1ssn s THR 56 CO -0.18 0.00 1.76 0.50 -2.21 0.00 0.00 174.62 174.50 1ssn h LYS 57 N 2.00 0.35 -0.31 7.08 3.64 -1.65 -1.37 116.57 126.32 1ssn h LYS 57 Ca -0.28 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.02 1ssn h LYS 57 Cb 1.22 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 1ssn h LYS 57 CO 0.36 0.23 -0.05 1.05 -2.27 0.00 0.00 179.45 178.77 1ssn h GLU 58 N 0.36 0.49 -2.03 1.90 4.11 -1.92 -2.83 114.58 114.65 1ssn h GLU 58 Ca 0.18 -0.12 -0.75 0.00 0.07 0.00 0.00 59.36 58.75 1ssn h GLU 58 Cb 0.13 -0.07 -0.30 0.00 0.50 0.00 0.00 28.75 29.02 1ssn h GLU 58 CO -0.16 0.56 0.70 1.17 0.07 0.00 0.00 179.01 181.35 1ssn n LYS 59 N -4.26 3.66 0.00 1.06 3.00 -0.57 -4.24 118.16 116.82 1ssn n LYS 59 Ca 0.01 -4.08 0.00 0.00 -0.00 0.00 0.00 58.31 54.24 1ssn n LYS 59 Cb 0.27 -2.32 0.00 0.00 0.00 0.00 0.00 35.03 32.98 1ssn n LYS 59 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 1ssn n ILE 60 N -0.37 0.00 -0.22 3.15 0.00 -0.88 -3.39 119.36 117.65 1ssn n ILE 60 Ca 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 62.75 63.21 1ssn n ILE 60 Cb 0.31 -0.00 0.09 0.00 0.00 0.00 0.00 39.64 40.03 1ssn n ILE 60 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 1ssn h GLU 61 N 0.00 0.64 -0.95 9.51 4.11 -1.68 -1.59 114.58 124.62 1ssn h GLU 61 Ca 0.00 -0.04 0.02 0.00 0.07 0.00 0.00 59.36 59.42 1ssn h GLU 61 Cb 0.00 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.06 1ssn h GLU 61 CO 0.00 0.42 0.63 0.10 0.07 0.00 0.00 179.01 180.23 1ssn h TYR 62 N 0.66 1.18 0.02 2.06 -0.00 -1.85 -2.36 116.97 116.67 1ssn h TYR 62 Ca 0.28 0.03 -0.00 0.00 -0.00 0.00 0.00 58.73 59.04 1ssn h TYR 62 Cb 0.16 -0.40 0.00 0.00 -0.00 0.00 0.00 36.73 36.49 1ssn h TYR 62 CO -0.08 0.71 -0.01 -0.92 -0.00 0.00 0.00 178.16 177.86 1ssn h TYR 63 N 1.25 -0.02 -0.05 0.10 5.03 -1.65 -2.26 116.97 119.36 1ssn h TYR 63 Ca 0.37 -0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.53 1ssn h TYR 63 Cb -0.07 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.21 1ssn h TYR 63 CO -0.00 0.32 -0.62 -0.39 -1.32 0.00 0.00 178.16 176.14 1ssn h VAL 64 N -0.37 1.40 -0.08 1.81 -1.51 -1.46 -2.00 116.25 114.04 1ssn h VAL 64 Ca -0.00 -2.04 0.00 0.00 -1.23 0.00 0.00 66.70 63.42 1ssn h VAL 64 Cb 0.35 2.05 -0.00 0.00 -2.13 0.00 0.00 31.29 31.56 1ssn h VAL 64 CO 0.00 0.60 0.05 -0.33 -1.23 0.00 0.00 177.57 176.67 1ssn h GLU 65 N 0.14 0.11 -0.23 5.19 5.08 -1.39 -2.15 114.58 121.34 1ssn h GLU 65 Ca -0.01 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1ssn h GLU 65 Cb 1.13 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1ssn h GLU 65 CO 0.09 0.09 -0.12 -1.49 -1.00 0.00 0.00 179.01 176.58 1ssn h TRP 66 N 0.10 0.40 0.49 4.33 -0.00 -1.27 -1.18 115.95 118.81 1ssn h TRP 66 Ca 0.03 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.89 58.84 1ssn h TRP 66 Cb 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 29.16 29.06 1ssn h TRP 66 CO -0.07 0.49 -0.23 0.00 -0.00 0.00 0.00 178.44 178.63 1ssn h ALA 67 N 1.53 -0.65 0.00 1.49 0.00 -1.14 -3.10 119.26 117.38 1ssn h ALA 67 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ssn h ALA 67 Cb 0.43 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ssn h ALA 67 CO 0.02 -0.82 0.00 1.37 0.00 0.00 0.00 179.25 179.82 1ssn h LEU 68 N -0.74 0.00 -6.28 0.00 8.10 -1.29 -3.38 115.31 111.71 1ssn h LEU 68 Ca -0.07 0.00 -0.70 0.00 0.11 0.00 0.00 57.88 57.22 1ssn h LEU 68 Cb 0.54 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.72 1ssn h LEU 68 CO 0.11 0.00 2.96 0.47 -4.11 0.00 0.00 178.44 177.87 1ssn n ASP 69 N -2.42 3.93 0.05 0.17 9.92 -0.45 -1.46 116.55 126.30 1ssn n ASP 69 Ca 0.03 -2.84 0.00 0.00 -0.53 0.00 0.00 54.79 51.45 1ssn n ASP 69 Cb 0.34 -1.64 0.00 0.00 -0.64 0.00 0.00 41.12 39.18 1ssn n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ssn n ALA 70 N 6.54 0.00 0.02 2.24 0.00 -1.26 -4.95 120.51 123.10 1ssn n ALA 70 Ca 0.51 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.80 1ssn n ALA 70 Cb 0.40 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.71 1ssn n ALA 70 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1ssn h THR 71 N 0.00 0.89 -2.52 0.00 1.35 -1.82 -3.36 112.91 107.45 1ssn h THR 71 Ca 0.00 -2.63 -0.60 0.00 -0.55 0.00 0.00 66.41 62.63 1ssn h THR 71 Cb 0.00 2.57 -0.41 0.00 -1.73 0.00 0.00 68.15 68.57 1ssn h THR 71 CO 0.00 0.74 -0.68 0.00 -0.25 0.00 0.00 175.52 175.33 1ssn n ALA 72 N -2.73 3.53 0.00 6.62 0.00 -0.53 -2.41 120.51 124.99 1ssn n ALA 72 Ca -0.21 -4.37 0.00 0.00 0.00 0.00 0.00 53.44 48.86 1ssn n ALA 72 Cb 1.05 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1ssn n ALA 72 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ssn n TYR 73 N 1.52 0.00 -0.33 0.00 9.36 -1.26 -4.36 117.16 122.09 1ssn n TYR 73 Ca 0.25 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.45 1ssn n TYR 73 Cb 0.41 0.00 0.10 0.00 -0.63 0.00 0.00 39.34 39.22 1ssn n TYR 73 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 1ssn h LYS 74 N 0.00 1.15 0.00 2.98 3.64 -1.89 -3.43 116.57 119.01 1ssn h LYS 74 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1ssn h LYS 74 Cb 0.00 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 1ssn h LYS 74 CO 0.00 0.76 0.00 0.39 -2.27 0.00 0.00 179.45 178.33 1ssn n GLU 75 N -4.48 0.00 -2.56 1.90 -0.58 -1.26 -4.95 120.64 108.71 1ssn n GLU 75 Ca 0.10 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.80 1ssn n GLU 75 Cb 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.91 1ssn n GLU 75 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 1ssn n PHE 76 N -2.84 -0.31 -2.27 -0.32 -1.74 -1.26 -4.85 117.46 103.88 1ssn n PHE 76 Ca 0.00 0.13 -0.42 0.00 -0.56 0.00 0.00 57.45 56.60 1ssn n PHE 76 Cb 0.00 -0.83 -0.03 0.00 1.52 0.00 0.00 39.48 40.15 1ssn n PHE 76 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 1ssn s ARG 77 N -0.91 3.30 -0.25 3.97 3.52 -1.22 -4.95 118.95 122.41 1ssn s ARG 77 Ca 0.04 0.79 -0.21 0.00 -0.13 0.00 0.00 55.73 56.22 1ssn s ARG 77 Cb -0.00 -4.14 -0.02 0.00 -1.56 0.00 0.00 34.95 29.23 1ssn s ARG 77 CO 0.10 -1.92 0.65 0.08 -0.81 0.00 0.00 175.30 173.40 1ssn s VAL 78 N 6.41 4.98 0.00 7.11 1.01 -1.26 -1.40 120.40 137.24 1ssn s VAL 78 Ca 0.62 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.77 1ssn s VAL 78 Cb -0.14 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1ssn s VAL 78 CO 0.28 0.03 0.17 0.52 0.00 0.00 0.00 175.10 176.10 1ssn n VAL 79 N 5.14 0.00 -3.59 2.92 0.31 -0.69 -5.04 118.33 117.38 1ssn n VAL 79 Ca -0.00 0.52 -0.11 0.00 -0.01 0.00 0.00 64.34 64.74 1ssn n VAL 79 Cb 0.49 -1.22 -0.06 0.00 -0.91 0.00 0.00 33.84 32.14 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 -0.96 0.60 0.77 5.55 2.12 -1.24 -5.06 118.70 120.48 1ssn s GLU 80 Ca 0.00 0.31 -0.13 0.00 0.36 0.00 0.00 54.97 55.51 1ssn s GLU 80 Cb 0.00 0.29 0.06 0.00 0.26 0.00 0.00 34.13 34.74 1ssn s GLU 80 CO 0.00 -0.15 1.15 -0.48 -0.54 0.00 0.00 175.26 175.24 1ssn s LEU 81 N -0.65 3.16 0.20 2.70 2.34 -1.26 -2.69 118.68 122.47 1ssn s LEU 81 Ca -0.01 2.14 -0.30 0.00 0.06 0.00 0.00 54.13 56.02 1ssn s LEU 81 Cb -0.02 -4.56 -0.08 0.00 -0.56 0.00 0.00 46.19 40.96 1ssn s LEU 81 CO -0.00 -2.30 1.20 -1.81 -1.06 0.00 0.00 176.35 172.38 1ssn s ASP 82 N -2.56 7.08 0.31 1.48 1.11 -1.04 -4.87 116.67 118.18 1ssn s ASP 82 Ca 0.68 2.26 0.06 0.00 0.18 0.00 0.00 52.55 55.73 1ssn s ASP 82 Cb -0.24 -2.61 0.50 0.00 1.07 0.00 0.00 42.92 41.65 1ssn s ASP 82 CO 0.50 -0.37 1.75 1.55 1.18 0.00 0.00 175.17 179.77 1ssn h PRO 83 N 5.08 0.31 -3.66 8.23 0.13 -1.94 -3.32 132.00 136.83 1ssn h PRO 83 Ca -0.45 -0.12 -0.74 0.00 -0.87 0.00 0.00 66.00 63.82 1ssn h PRO 83 Cb 1.21 -0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 1ssn h PRO 83 CO 0.74 0.60 2.33 0.43 -0.23 0.00 0.00 178.00 181.86 1ssn n SER 84 N -4.10 4.75 -4.76 1.44 7.64 -1.26 -4.91 113.62 112.42 1ssn n SER 84 Ca -0.01 -3.03 -0.29 0.00 1.01 0.00 0.00 58.87 56.55 1ssn n SER 84 Cb 0.42 -1.53 0.15 0.00 -1.01 0.00 0.00 64.21 62.24 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 1.19 1.54 -0.19 -0.43 0.00 -1.25 -4.89 121.76 117.73 1ssn s ALA 85 Ca 0.42 -0.49 -0.26 0.00 0.00 0.00 0.00 51.96 51.62 1ssn s ALA 85 Cb 0.11 -3.05 0.07 0.00 0.00 0.00 0.00 23.12 20.24 1ssn s ALA 85 CO -0.02 -2.45 0.69 -1.59 0.00 0.00 0.00 175.76 172.38 1ssn s LYS 86 N -5.20 0.89 -0.24 0.00 -2.85 -1.26 -1.75 119.74 109.34 1ssn s LYS 86 Ca 0.64 0.72 -0.08 0.00 -1.00 0.00 0.00 55.97 56.25 1ssn s LYS 86 Cb -0.16 0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 36.01 1ssn s LYS 86 CO 0.54 -0.17 0.08 0.42 0.10 0.00 0.00 175.35 176.32 1ssn s ILE 87 N -0.17 4.56 -0.65 3.79 1.09 -0.18 -3.87 121.20 125.77 1ssn s ILE 87 Ca -0.04 -0.09 0.05 0.00 -1.10 0.00 0.00 60.65 59.47 1ssn s ILE 87 Cb -0.03 -3.12 0.30 0.00 -1.06 0.00 0.00 42.46 38.55 1ssn s ILE 87 CO 0.04 0.36 0.93 -0.62 -0.10 0.00 0.00 174.94 175.55 1ssn n GLU 88 N 4.59 3.11 -2.15 2.79 1.02 -0.89 -1.10 120.64 128.01 1ssn n GLU 88 Ca -0.16 -4.76 -0.43 0.00 -0.02 0.00 0.00 57.16 51.79 1ssn n GLU 88 Cb 0.52 -2.27 -0.02 0.00 -0.02 0.00 0.00 31.44 29.64 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 -3.55 3.80 -0.42 2.62 0.11 -1.15 -3.44 120.40 118.37 1ssn s VAL 89 Ca 0.44 0.95 -0.04 0.00 -2.93 0.00 0.00 61.98 60.40 1ssn s VAL 89 Cb 0.21 -3.68 0.11 0.00 -1.53 0.00 0.00 36.38 31.49 1ssn s VAL 89 CO -0.07 -0.16 0.23 -0.89 -3.33 0.00 0.00 175.10 170.88 1ssn s THR 90 N 4.27 3.51 -0.64 5.04 2.01 -0.74 -1.27 115.64 127.82 1ssn s THR 90 Ca 0.68 -1.95 -0.21 0.00 0.31 0.00 0.00 61.69 60.52 1ssn s THR 90 Cb -0.27 -3.36 0.09 0.00 0.01 0.00 0.00 72.50 68.96 1ssn s THR 90 CO 0.26 -0.68 0.85 -0.72 -0.69 0.00 0.00 174.62 173.64 1ssn s TYR 91 N 1.20 2.85 -0.58 4.92 -0.85 -1.23 -1.11 117.35 122.56 1ssn s TYR 91 Ca 0.07 -0.79 -0.03 0.00 -0.52 0.00 0.00 57.07 55.80 1ssn s TYR 91 Cb -0.23 -4.16 0.21 0.00 0.38 0.00 0.00 41.96 38.15 1ssn s TYR 91 CO -0.03 -1.48 2.38 2.48 -1.52 0.00 0.00 175.55 177.39 1ssn n TYR 92 N 6.99 2.18 -2.07 -3.49 0.18 -1.25 -3.34 117.16 116.37 1ssn n TYR 92 Ca -0.05 -2.17 -0.42 0.00 1.88 0.00 0.00 57.90 57.15 1ssn n TYR 92 Cb 0.44 -1.28 -0.03 0.00 -0.38 0.00 0.00 39.34 38.09 1ssn n TYR 92 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1ssn s ASP 93 N -0.33 5.78 0.41 9.48 2.15 -1.26 -3.74 116.67 129.16 1ssn s ASP 93 Ca 0.54 0.93 0.09 0.00 0.43 0.00 0.00 52.55 54.55 1ssn s ASP 93 Cb 0.40 -2.53 0.88 0.00 -0.30 0.00 0.00 42.92 41.37 1ssn s ASP 93 CO -0.24 -1.86 2.00 0.50 -0.17 0.00 0.00 175.17 175.40 1ssn h LYS 94 N 13.14 0.33 -0.24 4.34 1.63 -1.92 -1.00 116.57 132.84 1ssn h LYS 94 Ca -0.30 -0.04 0.05 0.00 -0.85 0.00 0.00 60.65 59.50 1ssn h LYS 94 Cb 1.16 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.68 1ssn h LYS 94 CO 1.10 0.32 -0.07 -0.91 -3.45 0.00 0.00 179.45 176.44 1ssn h ASN 95 N 0.32 -0.25 0.00 4.20 2.35 -1.98 -3.44 115.58 116.79 1ssn h ASN 95 Ca 0.08 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1ssn h ASN 95 Cb 0.15 0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1ssn h ASN 95 CO -0.00 -0.09 0.00 2.29 -1.65 0.00 0.00 177.43 177.98 1ssn n LYS 96 N -5.23 0.00 -0.04 0.81 -0.00 -1.25 -5.01 118.16 107.45 1ssn n LYS 96 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.16 1ssn n LYS 96 Cb 0.15 -0.14 -0.09 0.00 -0.00 0.00 0.00 35.03 34.96 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 0.20 0.00 -1.58 3.64 -1.84 -3.50 116.57 113.48 1ssn h LYS 97 Ca 0.00 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1ssn h LYS 97 Cb 0.00 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1ssn h LYS 97 CO 0.00 0.67 0.00 1.17 -2.27 0.00 0.00 179.45 179.02 1ssn n LYS 98 N -4.66 0.00 -1.65 1.90 4.81 -0.38 -4.91 118.16 113.27 1ssn n LYS 98 Ca -0.07 0.00 -0.60 0.00 -0.87 0.00 0.00 58.31 56.77 1ssn n LYS 98 Cb 0.34 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.31 1ssn n LYS 98 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ssn n GLU 99 N -1.69 0.54 -3.23 1.64 0.00 -1.21 -4.49 120.64 112.20 1ssn n GLU 99 Ca 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 57.16 57.34 1ssn n GLU 99 Cb 0.00 -1.78 -0.04 0.00 0.00 0.00 0.00 31.44 29.63 1ssn n GLU 99 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1ssn s GLU 100 N 1.94 0.48 -0.77 5.31 -6.30 -1.22 -4.98 118.70 113.15 1ssn s GLU 100 Ca 0.96 0.65 -0.26 0.00 -2.50 0.00 0.00 54.97 53.82 1ssn s GLU 100 Cb -1.22 0.08 0.02 0.00 0.00 0.00 0.00 34.13 33.01 1ssn s GLU 100 CO 0.65 -0.77 1.42 0.99 0.02 0.00 0.00 175.26 177.56 1ssn s THR 101 N 2.72 3.69 -0.80 -1.70 2.01 -1.26 -3.49 115.64 116.80 1ssn s THR 101 Ca 0.15 0.16 -0.25 0.00 0.31 0.00 0.00 61.69 62.06 1ssn s THR 101 Cb -0.14 -4.77 0.05 0.00 0.01 0.00 0.00 72.50 67.65 1ssn s THR 101 CO -0.22 -1.70 1.25 -0.75 -0.69 0.00 0.00 174.62 172.51 1ssn s LYS 102 N 5.85 3.30 -0.18 4.92 2.36 -0.40 -4.90 119.74 130.69 1ssn s LYS 102 Ca 0.43 -0.66 -0.29 0.00 -2.55 0.00 0.00 55.97 52.89 1ssn s LYS 102 Cb -0.07 -4.52 -0.01 0.00 -1.05 0.00 0.00 37.83 32.18 1ssn s LYS 102 CO 0.11 -2.08 1.22 -1.12 1.55 0.00 0.00 175.35 175.04 1ssn s SER 103 N 4.02 6.97 -0.06 1.43 0.01 -1.26 -2.93 113.70 121.88 1ssn s SER 103 Ca 0.35 1.64 -0.00 0.00 1.31 0.00 0.00 55.95 59.25 1ssn s SER 103 Cb -0.08 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.64 1ssn s SER 103 CO 0.06 -0.75 -0.03 0.12 0.41 0.00 0.00 173.24 173.06 1ssn s PHE 104 N 3.45 0.73 0.72 2.43 5.36 -0.26 -5.02 117.98 125.38 1ssn s PHE 104 Ca 0.53 -0.21 -0.11 0.00 -0.96 0.00 0.00 56.93 56.18 1ssn s PHE 104 Cb -0.21 -0.73 0.02 0.00 -0.34 0.00 0.00 43.02 41.77 1ssn s PHE 104 CO 0.13 -0.26 1.07 -1.25 -1.46 0.00 0.00 175.22 173.46 1ssn s PRO 105 N 1.38 2.73 0.71 10.12 0.04 -1.26 -1.01 135.00 147.70 1ssn s PRO 105 Ca -0.04 0.74 -0.11 0.00 0.04 0.00 0.00 61.00 61.63 1ssn s PRO 105 Cb -0.13 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1ssn s PRO 105 CO -0.03 -1.19 1.07 -1.50 0.04 0.00 0.00 177.00 175.39 1ssn s ILE 106 N -3.15 3.88 0.51 0.56 1.10 -0.71 -4.80 121.20 118.59 1ssn s ILE 106 Ca 0.59 0.61 0.03 0.00 -0.51 0.00 0.00 60.65 61.37 1ssn s ILE 106 Cb -0.13 -3.30 0.00 0.00 0.15 0.00 0.00 42.46 39.18 1ssn s ILE 106 CO 0.54 -0.80 0.15 0.42 -2.11 0.00 0.00 174.94 173.14 1ssn s THR 107 N -3.01 1.41 -0.66 4.00 -4.23 -1.26 -4.94 115.64 106.95 1ssn s THR 107 Ca 0.59 -1.81 0.18 0.00 -1.18 0.00 0.00 61.69 59.47 1ssn s THR 107 Cb -0.15 -2.22 -0.22 0.00 1.34 0.00 0.00 72.50 71.26 1ssn s THR 107 CO 0.55 0.00 0.68 -1.84 -0.54 0.00 0.00 174.62 173.47 1ssn n GLU 108 N -1.43 0.97 0.00 3.99 0.28 -1.26 -1.68 120.64 121.51 1ssn n GLU 108 Ca -0.12 -0.04 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 1ssn n GLU 108 Cb 0.66 -1.37 0.00 0.00 1.43 0.00 0.00 31.44 32.16 1ssn n GLU 108 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1ssn n LYS 109 N -1.59 0.00 0.00 3.44 4.81 -1.26 -4.84 118.16 118.72 1ssn n LYS 109 Ca 0.02 0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 1ssn n LYS 109 Cb 0.33 -0.78 0.00 0.00 0.02 0.00 0.00 35.03 34.60 1ssn n LYS 109 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ssn n GLY 110 N 1.76 -0.25 3.73 3.14 0.00 -1.26 -4.96 105.19 107.35 1ssn n GLY 110 Ca 0.00 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1ssn n GLY 110 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ssn s PHE 111 N 0.00 3.35 0.21 1.61 -0.71 -0.87 -4.50 117.98 117.07 1ssn s PHE 111 Ca 0.00 1.26 -0.30 0.00 -1.04 0.00 0.00 56.93 56.85 1ssn s PHE 111 Cb 0.00 -3.52 -0.08 0.00 -1.21 0.00 0.00 43.02 38.21 1ssn s PHE 111 CO 0.00 -1.62 1.17 0.08 -1.34 0.00 0.00 175.22 173.52 1ssn s VAL 112 N 0.43 3.56 -0.04 -2.49 1.01 -1.26 -1.32 120.40 120.29 1ssn s VAL 112 Ca 0.57 1.36 -0.30 0.00 0.00 0.00 0.00 61.98 63.62 1ssn s VAL 112 Cb -0.34 -3.87 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 1ssn s VAL 112 CO 0.34 0.24 1.87 -0.69 0.00 0.00 0.00 175.10 176.87 1ssn s VAL 113 N -0.31 3.24 0.78 2.92 1.01 -0.90 -4.94 120.40 122.20 1ssn s VAL 113 Ca 0.51 0.28 -0.12 0.00 0.00 0.00 0.00 61.98 62.66 1ssn s VAL 113 Cb -0.32 -3.20 0.06 0.00 0.00 0.00 0.00 36.38 32.92 1ssn s VAL 113 CO 0.38 -0.05 1.11 -2.16 0.00 0.00 0.00 175.10 174.38 1ssn s PRO 114 N 4.56 2.20 0.88 2.72 0.04 -1.26 -3.00 135.00 141.15 1ssn s PRO 114 Ca 0.84 0.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.24 1ssn s PRO 114 Cb -0.37 -1.95 0.12 0.00 0.04 0.00 0.00 34.50 32.34 1ssn s PRO 114 CO 0.36 -1.50 1.10 0.16 0.04 0.00 0.00 177.00 177.16 1ssn s ASP 115 N -4.15 3.63 -0.35 6.66 -4.77 -1.26 -4.84 116.67 111.58 1ssn s ASP 115 Ca 0.60 1.37 0.03 0.00 -3.30 0.00 0.00 52.55 51.25 1ssn s ASP 115 Cb -0.13 -2.05 0.48 0.00 -1.09 0.00 0.00 42.92 40.13 1ssn s ASP 115 CO 0.53 -2.53 1.72 0.18 0.70 0.00 0.00 175.17 175.77 1ssn n LEU 116 N -3.80 5.92 0.00 2.11 4.32 -1.26 -5.00 117.00 119.29 1ssn n LEU 116 Ca 0.07 -3.14 0.00 0.00 -0.02 0.00 0.00 56.01 52.92 1ssn n LEU 116 Cb 0.56 -0.78 0.00 0.00 -1.62 0.00 0.00 43.42 41.58 1ssn n LEU 116 CO 0.56 0.95 0.00 -0.24 -1.22 0.00 0.00 177.39 177.44 1ssn n SER 117 N -0.68 0.00 0.00 -1.43 2.88 -1.26 -4.12 113.62 109.01 1ssn n SER 117 Ca 0.45 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 1ssn n SER 117 Cb 1.30 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.76 1ssn n SER 117 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1ssn n GLU 118 N 0.00 0.00 -0.15 -1.46 2.13 -1.26 -4.96 120.64 114.94 1ssn n GLU 118 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ssn n GLU 118 Cb 0.00 0.00 0.06 0.00 0.27 0.00 0.00 31.44 31.77 1ssn n GLU 118 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 1ssn n HIS 119 N -1.83 0.36 -3.64 4.31 1.44 -1.26 -4.77 115.22 109.82 1ssn n HIS 119 Ca 0.00 -0.24 -0.07 0.00 -2.01 0.00 0.00 57.72 55.40 1ssn n HIS 119 Cb 0.00 -0.21 -0.07 0.00 0.12 0.00 0.00 29.99 29.83 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 -1.11 -0.04 0.00 0.61 1.10 -1.26 -4.89 121.20 115.61 1ssn s ILE 120 Ca 0.09 0.00 0.19 0.00 -0.51 0.00 0.00 60.65 60.42 1ssn s ILE 120 Cb 0.07 -1.00 0.32 0.00 0.15 0.00 0.00 42.46 42.00 1ssn s ILE 120 CO 0.02 0.00 1.12 0.29 -2.11 0.00 0.00 174.94 174.27 1ssn n LYS 121 N 4.33 0.00 -2.71 3.50 4.01 -1.26 -4.70 118.16 121.33 1ssn n LYS 121 Ca -0.20 -1.74 -0.09 0.00 -0.51 0.00 0.00 58.31 55.78 1ssn n LYS 121 Cb 0.59 -0.10 0.07 0.00 -0.51 0.00 0.00 35.03 35.08 1ssn n LYS 121 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1ssn n ASN 122 N 0.37 -0.32 -4.63 4.39 0.23 -1.26 -4.26 115.26 109.77 1ssn n ASN 122 Ca 0.04 -2.67 -0.43 0.00 -0.53 0.00 0.00 54.58 50.99 1ssn n ASN 122 Cb 1.03 0.31 -0.02 0.00 -2.08 0.00 0.00 39.78 39.01 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 -1.39 3.82 -1.19 -0.53 0.04 -1.26 -3.76 135.00 130.73 1ssn s PRO 123 Ca 0.25 1.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.79 1ssn s PRO 123 Cb 0.42 -4.01 0.20 0.00 0.04 0.00 0.00 34.50 31.15 1ssn s PRO 123 CO -0.03 -1.26 1.38 0.41 0.04 0.00 0.00 177.00 177.53 1ssn n GLY 124 N 4.60 3.73 3.59 0.56 0.00 -0.26 -3.68 105.19 113.73 1ssn n GLY 124 Ca 0.18 -2.19 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 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 0.59 1.31 -0.70 1.61 0.40 -1.00 -1.78 117.98 118.40 1ssn s PHE 125 Ca 0.39 0.80 -0.15 0.00 -0.60 0.00 0.00 56.93 57.38 1ssn s PHE 125 Cb -0.04 -3.90 0.18 0.00 0.51 0.00 0.00 43.02 39.77 1ssn s PHE 125 CO -0.02 -3.39 0.65 -0.80 0.70 0.00 0.00 175.22 172.37 1ssn s ASN 126 N 8.71 6.50 -1.33 1.36 0.01 -1.22 -1.93 114.94 127.04 1ssn s ASN 126 Ca 0.93 -2.27 -0.14 0.00 -0.71 0.00 0.00 52.86 50.67 1ssn s ASN 126 Cb -0.26 -2.21 0.10 0.00 0.41 0.00 0.00 41.25 39.29 1ssn s ASN 126 CO 0.32 -0.71 1.87 0.18 -1.51 0.00 0.00 177.10 177.25 1ssn n LEU 127 N 4.60 5.97 -4.34 0.60 7.99 -0.93 -2.10 117.00 128.78 1ssn n LEU 127 Ca 0.01 -4.24 -0.34 0.00 -0.01 0.00 0.00 56.01 51.44 1ssn n LEU 127 Cb 0.44 -1.64 -0.14 0.00 -0.11 0.00 0.00 43.42 41.97 1ssn n LEU 127 CO 0.43 0.82 -0.43 -0.63 -1.51 0.00 0.00 177.39 176.07 1ssn s ILE 128 N 2.60 3.11 -0.09 -0.08 1.01 -1.25 -2.74 121.20 123.76 1ssn s ILE 128 Ca 0.47 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 60.38 1ssn s ILE 128 Cb 0.07 -2.34 0.03 0.00 0.01 0.00 0.00 42.46 40.23 1ssn s ILE 128 CO -0.00 0.50 0.31 -0.89 0.00 0.00 0.00 174.94 174.86 1ssn s THR 129 N 0.72 0.02 0.30 2.92 2.01 -1.25 -4.40 115.64 115.96 1ssn s THR 129 Ca -0.05 -0.12 -0.29 0.00 0.31 0.00 0.00 61.69 61.54 1ssn s THR 129 Cb -0.15 -0.49 -0.10 0.00 0.01 0.00 0.00 72.50 71.78 1ssn s THR 129 CO 0.02 -0.07 1.14 -0.54 -0.69 0.00 0.00 174.62 174.48 1ssn s LYS 130 N -0.20 4.55 -0.01 4.92 -0.14 -1.26 -1.33 119.74 126.27 1ssn s LYS 130 Ca -0.03 1.87 -0.03 0.00 -1.36 0.00 0.00 55.97 56.42 1ssn s LYS 130 Cb -0.03 -3.13 0.00 0.00 -1.68 0.00 0.00 37.83 32.99 1ssn s LYS 130 CO 0.01 0.11 0.07 0.14 -0.76 0.00 0.00 175.35 174.92 1ssn s VAL 131 N -1.18 0.04 -0.65 3.17 -7.23 -1.00 -2.51 120.40 111.04 1ssn s VAL 131 Ca 0.46 -0.36 -0.22 0.00 -1.81 0.00 0.00 61.98 60.05 1ssn s VAL 131 Cb -0.33 -0.23 0.07 0.00 0.56 0.00 0.00 36.38 36.46 1ssn s VAL 131 CO 0.43 -0.20 0.92 -0.69 -0.31 0.00 0.00 175.10 175.25 1ssn s VAL 132 N -0.62 4.40 0.04 1.32 1.01 -1.10 -1.55 120.40 123.90 1ssn s VAL 132 Ca -0.07 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 61.57 1ssn s VAL 132 Cb -0.04 -4.65 -0.03 0.00 0.00 0.00 0.00 36.38 31.66 1ssn s VAL 132 CO 0.00 -1.40 -0.26 -0.63 0.00 0.00 0.00 175.10 172.82 1ssn s ILE 133 N 3.85 2.19 -0.53 2.22 1.01 -0.25 -1.71 121.20 127.98 1ssn s ILE 133 Ca 0.21 -1.36 0.04 0.00 0.00 0.00 0.00 60.65 59.54 1ssn s ILE 133 Cb -0.18 -1.85 0.17 0.00 0.01 0.00 0.00 42.46 40.61 1ssn s ILE 133 CO 0.10 0.38 0.40 -1.61 0.00 0.00 0.00 174.94 174.20 1ssn s GLU 134 N -1.22 1.55 0.64 2.79 2.02 -0.49 -3.72 118.70 120.28 1ssn s GLU 134 Ca 0.12 -2.60 -0.18 0.00 0.02 0.00 0.00 54.97 52.33 1ssn s GLU 134 Cb -0.10 -2.28 -0.02 0.00 0.10 0.00 0.00 34.13 31.83 1ssn s GLU 134 CO 0.02 -1.33 1.18 0.36 0.02 0.00 0.00 175.26 175.51 1ssn n LYS 135 N 2.54 1.00 0.00 1.61 -0.00 -1.26 -3.45 118.16 118.60 1ssn n LYS 135 Ca 0.24 0.40 0.00 0.00 -0.00 0.00 0.00 58.31 58.95 1ssn n LYS 135 Cb 0.42 -2.41 0.00 0.00 -0.00 0.00 0.00 35.03 33.03 1ssn n LYS 135 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03