#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 -1.78 -3.79 6.43 2.88 -1.26 -1.12 113.62 114.98 1ssn n SER 2 Ca 0.00 0.40 -0.42 0.00 -1.33 0.00 0.00 58.87 57.52 1ssn n SER 2 Cb 0.00 1.91 0.00 0.00 -0.75 0.00 0.00 64.21 65.37 1ssn n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ssn n SER 3 N -2.93 4.90 -0.72 -3.46 2.88 -1.26 -4.80 113.62 108.23 1ssn n SER 3 Ca 0.00 -3.01 0.05 0.00 -1.33 0.00 0.00 58.87 54.58 1ssn n SER 3 Cb 0.00 -1.53 -0.01 0.00 -0.75 0.00 0.00 64.21 61.91 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 4.50 -2.21 -2.36 0.66 1.16 -1.26 -4.87 117.46 113.07 1ssn n PHE 4 Ca 0.46 0.47 -0.01 0.00 -1.87 0.00 0.00 57.45 56.50 1ssn n PHE 4 Cb 0.36 -0.78 0.00 0.00 -1.61 0.00 0.00 39.48 37.46 1ssn n PHE 4 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 1ssn n ASP 5 N -3.83 0.03 0.09 5.98 5.75 -1.26 -4.61 116.55 118.70 1ssn n ASP 5 Ca 0.00 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 1ssn n ASP 5 Cb 0.17 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 1ssn n ASP 5 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1ssn n LYS 6 N -0.04 0.00 -1.63 0.11 4.76 -1.26 -5.14 118.16 114.96 1ssn n LYS 6 Ca -0.10 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.34 1ssn n LYS 6 Cb 0.91 -0.22 -0.00 0.00 -1.84 0.00 0.00 35.03 33.88 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 2.35 -2.99 3.71 0.72 0.00 -1.26 -4.60 105.19 103.11 1ssn n GLY 7 Ca 0.00 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 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 0.08 -6.57 0.01 1.61 5.02 -1.26 -4.92 118.16 112.13 1ssn n LYS 8 Ca -0.00 0.72 -0.22 0.00 -2.02 0.00 0.00 58.31 56.79 1ssn n LYS 8 Cb 0.00 -5.66 -0.14 0.00 -0.02 0.00 0.00 35.03 29.22 1ssn n LYS 8 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1ssn h TYR 9 N -2.29 0.51 -6.72 2.13 3.20 -1.71 -3.46 116.97 108.62 1ssn h TYR 9 Ca -0.58 -0.37 -0.55 0.00 3.14 0.00 0.00 58.73 60.37 1ssn h TYR 9 Cb 1.37 -0.02 -0.12 0.00 1.54 0.00 0.00 36.73 39.49 1ssn h TYR 9 CO 0.51 1.74 -0.91 0.36 -1.64 0.00 0.00 178.16 178.22 1ssn n LYS 10 N -3.59 -2.48 0.00 1.82 0.00 -0.77 -1.60 118.16 111.54 1ssn n LYS 10 Ca -0.30 0.30 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1ssn n LYS 10 Cb 1.02 -4.29 0.00 0.00 -0.00 0.00 0.00 35.03 31.77 1ssn n LYS 10 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1ssn n LYS 11 N -4.45 0.00 0.00 -1.58 2.85 -1.25 -2.24 118.16 111.50 1ssn n LYS 11 Ca -0.27 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 56.99 1ssn n LYS 11 Cb 0.67 -2.95 0.00 0.00 -0.65 0.00 0.00 35.03 32.10 1ssn n LYS 11 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ssn n GLY 12 N -1.86 2.52 3.57 2.58 0.00 -0.62 -5.06 105.19 106.33 1ssn n GLY 12 Ca 0.00 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.88 1ssn n GLY 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ssn s ASP 13 N -0.25 6.39 -1.10 1.61 1.11 -0.95 -4.88 116.67 118.60 1ssn s ASP 13 Ca 0.00 -1.77 -0.06 0.00 0.18 0.00 0.00 52.55 50.90 1ssn s ASP 13 Cb 0.00 -2.57 0.30 0.00 1.07 0.00 0.00 42.92 41.71 1ssn s ASP 13 CO 0.00 -1.62 1.37 -0.67 1.18 0.00 0.00 175.17 175.43 1ssn n ASP 14 N 9.60 6.10 -4.51 0.27 -0.08 -1.26 -4.87 116.55 121.79 1ssn n ASP 14 Ca 0.40 -3.28 -0.43 0.00 -1.51 0.00 0.00 54.79 49.97 1ssn n ASP 14 Cb 0.48 -1.32 0.00 0.00 2.34 0.00 0.00 41.12 42.63 1ssn n ASP 14 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ssn n ALA 15 N 1.87 3.75 0.20 -1.67 0.00 -1.26 -4.84 120.51 118.56 1ssn n ALA 15 Ca 0.26 -4.05 -0.10 0.00 0.00 0.00 0.00 53.44 49.55 1ssn n ALA 15 Cb 0.35 -3.33 -0.05 0.00 0.00 0.00 0.00 19.45 16.42 1ssn n ALA 15 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ssn h SER 16 N 7.32 -0.49 0.00 0.00 4.64 -1.98 -3.50 113.55 119.54 1ssn h SER 16 Ca 0.39 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1ssn h SER 16 Cb 0.87 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1ssn h SER 16 CO 1.36 -0.06 0.00 0.00 -0.87 0.00 0.00 176.83 177.26 1ssn n TYR 17 N -5.16 0.00 -2.82 4.77 9.36 -1.26 -5.05 117.16 116.99 1ssn n TYR 17 Ca -0.08 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.12 1ssn n TYR 17 Cb 0.25 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.97 1ssn n TYR 17 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1ssn n PHE 18 N 0.00 -3.42 -0.87 2.98 7.35 -1.26 -4.84 117.46 117.40 1ssn n PHE 18 Ca 0.00 1.49 0.11 0.00 -0.76 0.00 0.00 57.45 58.29 1ssn n PHE 18 Cb 0.00 -3.61 -0.05 0.00 0.35 0.00 0.00 39.48 36.17 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 0.60 -1.99 -1.95 -4.13 4.71 -1.26 -4.60 120.64 112.02 1ssn n GLU 19 Ca 0.02 1.59 -0.38 0.00 -0.01 0.00 0.00 57.16 58.38 1ssn n GLU 19 Cb 0.15 -2.33 -0.03 0.00 -1.01 0.00 0.00 31.44 28.22 1ssn n GLU 19 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1ssn s PRO 20 N -3.50 2.53 0.00 3.49 0.04 -1.11 -4.85 135.00 131.60 1ssn s PRO 20 Ca 0.00 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1ssn s PRO 20 Cb 0.00 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 30.11 1ssn s PRO 20 CO 0.00 -2.84 0.00 0.25 0.04 0.00 0.00 177.00 174.45 1ssn n THR 21 N 7.36 0.00 -3.61 1.26 -2.24 -1.26 -4.96 114.28 110.83 1ssn n THR 21 Ca 0.23 0.17 -0.07 0.00 -2.27 0.00 0.00 64.05 62.11 1ssn n THR 21 Cb 0.53 -0.84 -0.05 0.00 -2.10 0.00 0.00 70.33 67.87 1ssn n THR 21 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ssn s GLY 22 N -1.50 -0.10 0.89 3.38 0.00 -1.26 -4.95 107.32 103.77 1ssn s GLY 22 Ca 0.00 2.42 -0.12 0.00 0.00 0.00 0.00 44.72 47.02 1ssn s GLY 22 CO 0.00 1.14 1.15 2.56 0.00 0.00 0.00 173.10 177.95 1ssn s PRO 23 N -0.95 1.33 0.11 2.90 0.04 -1.26 -4.82 135.00 132.36 1ssn s PRO 23 Ca 0.03 0.25 -0.25 0.00 0.04 0.00 0.00 61.00 61.07 1ssn s PRO 23 Cb -0.01 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.74 1ssn s PRO 23 CO -0.03 -2.06 0.77 1.52 0.04 0.00 0.00 177.00 177.24 1ssn s TYR 24 N -3.35 -0.37 -0.31 0.56 -0.85 -1.12 -4.71 117.35 107.21 1ssn s TYR 24 Ca 0.63 0.14 -0.03 0.00 -0.52 0.00 0.00 57.07 57.30 1ssn s TYR 24 Cb -0.14 0.58 0.11 0.00 0.38 0.00 0.00 41.96 42.89 1ssn s TYR 24 CO 0.52 -0.78 0.15 -1.17 -1.52 0.00 0.00 175.55 172.75 1ssn s LEU 25 N -2.70 0.92 -0.44 -3.49 0.20 -0.60 -2.67 118.68 109.90 1ssn s LEU 25 Ca 0.05 -1.58 -0.16 0.00 0.69 0.00 0.00 54.13 53.14 1ssn s LEU 25 Cb -0.02 -0.45 0.04 0.00 -0.43 0.00 0.00 46.19 45.34 1ssn s LEU 25 CO -0.07 -0.40 0.38 -0.32 -0.29 0.00 0.00 176.35 175.65 1ssn s MET 26 N 1.75 3.01 -0.44 1.98 1.75 -0.33 -1.42 119.30 125.60 1ssn s MET 26 Ca 0.11 -1.06 -0.06 0.00 -1.25 0.00 0.00 55.69 53.44 1ssn s MET 26 Cb -0.18 -4.03 0.12 0.00 2.84 0.00 0.00 34.83 33.57 1ssn s MET 26 CO -0.26 -0.89 0.28 0.08 -0.65 0.00 0.00 175.02 173.58 1ssn s VAL 27 N 1.82 3.73 0.00 10.11 1.01 -1.04 -1.46 120.40 134.57 1ssn s VAL 27 Ca 0.07 -1.95 0.00 0.00 0.00 0.00 0.00 61.98 60.10 1ssn s VAL 27 Cb -0.20 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1ssn s VAL 27 CO 0.10 -0.74 0.00 0.59 0.00 0.00 0.00 175.10 175.05 1ssn n ASN 28 N 4.72 0.00 -4.03 3.32 4.13 -0.87 -4.44 115.26 118.09 1ssn n ASN 28 Ca -0.05 -0.39 -0.11 0.00 1.68 0.00 0.00 54.58 55.71 1ssn n ASN 28 Cb 0.41 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.54 1ssn n ASN 28 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1ssn s VAL 29 N -2.21 0.33 -1.26 2.41 -7.23 -1.26 -3.76 120.40 107.42 1ssn s VAL 29 Ca 0.00 -1.05 -0.16 0.00 -1.81 0.00 0.00 61.98 58.95 1ssn s VAL 29 Cb 0.00 -0.51 0.11 0.00 0.56 0.00 0.00 36.38 36.54 1ssn s VAL 29 CO 0.00 -0.48 1.62 0.41 -0.31 0.00 0.00 175.10 176.34 1ssn n THR 30 N 1.43 4.08 -2.54 5.32 -1.04 -0.94 -3.58 114.28 117.00 1ssn n THR 30 Ca -0.23 -4.37 -0.41 0.00 -2.04 0.00 0.00 64.05 57.00 1ssn n THR 30 Cb 0.55 -2.40 -0.03 0.00 -1.82 0.00 0.00 70.33 66.63 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 3.62 0.89 0.41 3.41 0.00 -1.20 -3.37 107.32 111.08 1ssn s GLY 31 Ca 0.49 -1.32 0.08 0.00 0.00 0.00 0.00 44.72 43.97 1ssn s GLY 31 CO 0.05 2.65 0.29 -1.34 0.00 0.00 0.00 173.10 174.75 1ssn s VAL 32 N 5.74 2.57 0.06 1.40 -7.23 -1.15 -1.09 120.40 120.70 1ssn s VAL 32 Ca 0.36 -1.50 -0.23 0.00 -1.81 0.00 0.00 61.98 58.80 1ssn s VAL 32 Cb -0.08 -3.00 -0.15 0.00 0.56 0.00 0.00 36.38 33.71 1ssn s VAL 32 CO 0.16 -0.02 1.57 -2.24 -0.31 0.00 0.00 175.10 174.26 1ssn h ASP 33 N 1.22 0.07 0.00 4.85 2.03 -1.75 -2.92 116.42 119.92 1ssn h ASP 33 Ca -0.42 -0.19 0.00 0.00 -0.73 0.00 0.00 57.03 55.69 1ssn h ASP 33 Cb 1.26 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 1ssn h ASP 33 CO 0.63 0.24 0.00 -1.54 -1.03 0.00 0.00 179.24 177.54 1ssn n SER 34 N -4.95 -0.29 0.00 4.15 3.41 -1.26 -4.13 113.62 110.55 1ssn n SER 34 Ca -0.07 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1ssn n SER 34 Cb 0.12 0.67 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 1ssn n SER 34 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1ssn n LYS 35 N -2.89 0.00 -0.51 4.33 4.81 -1.26 -4.92 118.16 117.73 1ssn n LYS 35 Ca 0.00 0.31 -0.01 0.00 -0.87 0.00 0.00 58.31 57.74 1ssn n LYS 35 Cb 0.00 -0.92 -0.01 0.00 0.02 0.00 0.00 35.03 34.12 1ssn n LYS 35 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ssn n GLY 36 N 1.54 -0.23 3.43 3.14 0.00 -1.26 -5.06 105.19 106.75 1ssn n GLY 36 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.16 6.44 -0.30 1.61 0.01 -1.26 -4.96 114.94 116.33 1ssn s ASN 37 Ca 0.00 -1.70 -0.28 0.00 -0.71 0.00 0.00 52.86 50.17 1ssn s ASN 37 Cb 0.00 -2.38 -0.03 0.00 0.41 0.00 0.00 41.25 39.25 1ssn s ASN 37 CO 0.00 -1.15 1.88 -0.70 -1.51 0.00 0.00 177.10 175.62 1ssn s GLU 38 N 2.93 3.32 0.11 -0.60 2.12 -1.26 -2.43 118.70 122.89 1ssn s GLU 38 Ca 0.26 1.58 -0.14 0.00 0.36 0.00 0.00 54.97 57.03 1ssn s GLU 38 Cb -0.11 -4.23 -0.09 0.00 0.26 0.00 0.00 34.13 29.96 1ssn s GLU 38 CO -0.02 -1.87 1.40 -0.07 -0.54 0.00 0.00 175.26 174.16 1ssn h LEU 39 N 13.84 0.85 -7.56 2.70 3.38 -1.42 -3.46 115.31 123.64 1ssn h LEU 39 Ca -0.35 -0.51 -0.20 0.00 0.09 0.00 0.00 57.88 56.91 1ssn h LEU 39 Cb 1.18 -0.24 -0.27 0.00 0.09 0.00 0.00 40.66 41.42 1ssn h LEU 39 CO 1.01 1.19 -0.56 -1.48 0.09 0.00 0.00 178.44 178.70 1ssn s LEU 40 N -8.83 1.32 0.13 1.67 0.05 -1.00 -4.79 118.68 107.23 1ssn s LEU 40 Ca -0.12 0.30 -0.19 0.00 0.05 0.00 0.00 54.13 54.17 1ssn s LEU 40 Cb 0.09 0.48 -0.07 0.00 -2.05 0.00 0.00 46.19 44.64 1ssn s LEU 40 CO 0.86 -0.07 0.61 -0.44 -0.55 0.00 0.00 176.35 176.76 1ssn s SER 41 N 0.27 7.04 1.03 1.48 0.01 -1.26 -3.22 113.70 119.05 1ssn s SER 41 Ca -0.02 1.28 -0.03 0.00 1.31 0.00 0.00 55.95 58.50 1ssn s SER 41 Cb -0.03 -2.37 0.04 0.00 0.21 0.00 0.00 66.02 63.88 1ssn s SER 41 CO -0.01 0.18 0.19 -0.81 0.41 0.00 0.00 173.24 173.20 1ssn n PRO 42 N 1.31 -0.95 -0.64 12.44 -0.04 -1.24 -4.73 135.00 141.15 1ssn n PRO 42 Ca -0.07 -0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.09 1ssn n PRO 42 Cb 0.51 -0.25 0.00 0.00 -0.04 0.00 0.00 33.50 33.72 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 -2.67 0.00 -0.05 0.54 8.25 -1.26 -4.37 115.22 115.66 1ssn n HIS 43 Ca 0.03 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.30 1ssn n HIS 43 Cb 0.09 -0.25 -0.13 0.00 1.12 0.00 0.00 29.99 30.82 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 -2.64 0.76 -3.80 4.41 4.11 -1.26 -1.84 117.16 116.90 1ssn n TYR 44 Ca 0.00 0.17 -0.37 0.00 -0.00 0.00 0.00 57.90 57.70 1ssn n TYR 44 Cb 0.00 -1.10 -0.06 0.00 -0.00 0.00 0.00 39.34 38.17 1ssn n TYR 44 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1ssn s VAL 45 N -2.55 5.43 -0.25 -3.48 1.01 -1.26 -2.29 120.40 117.02 1ssn s VAL 45 Ca -0.25 0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 1ssn s VAL 45 Cb 0.07 -3.46 0.07 0.00 0.00 0.00 0.00 36.38 33.07 1ssn s VAL 45 CO 0.72 0.58 0.63 -0.70 0.00 0.00 0.00 175.10 176.33 1ssn s GLU 46 N -0.75 0.69 0.03 2.72 -6.30 -1.26 -2.50 118.70 111.34 1ssn s GLU 46 Ca 0.15 1.00 0.09 0.00 -2.50 0.00 0.00 54.97 53.71 1ssn s GLU 46 Cb -0.12 0.24 -0.03 0.00 0.00 0.00 0.00 34.13 34.22 1ssn s GLU 46 CO 0.04 -0.12 -0.26 -0.06 0.02 0.00 0.00 175.26 174.88 1ssn s PHE 47 N 0.92 2.29 0.27 5.30 0.08 -0.51 -4.60 117.98 121.73 1ssn s PHE 47 Ca -0.05 -0.41 -0.29 0.00 0.12 0.00 0.00 56.93 56.30 1ssn s PHE 47 Cb -0.05 -1.39 -0.10 0.00 -0.57 0.00 0.00 43.02 40.92 1ssn s PHE 47 CO -0.08 0.10 1.30 -1.25 -0.10 0.00 0.00 175.22 175.19 1ssn s PRO 48 N -1.14 4.38 0.26 0.24 0.04 -1.26 -1.55 135.00 135.98 1ssn s PRO 48 Ca 0.11 2.13 -0.30 0.00 0.04 0.00 0.00 61.00 62.99 1ssn s PRO 48 Cb -0.10 -3.13 -0.10 0.00 0.04 0.00 0.00 34.50 31.21 1ssn s PRO 48 CO 0.02 -0.20 1.47 -1.50 0.04 0.00 0.00 177.00 176.83 1ssn s ILE 49 N -0.59 2.52 -0.31 0.56 2.07 -1.26 -4.83 121.20 119.35 1ssn s ILE 49 Ca 0.52 0.44 -0.02 0.00 -1.41 0.00 0.00 60.65 60.18 1ssn s ILE 49 Cb -0.38 -3.28 0.12 0.00 0.13 0.00 0.00 42.46 39.05 1ssn s ILE 49 CO 0.46 0.07 0.21 -0.54 -1.91 0.00 0.00 174.94 173.23 1ssn s LYS 50 N -0.47 0.33 0.20 3.50 1.02 -1.26 -5.05 119.74 118.01 1ssn s LYS 50 Ca 0.60 -0.60 -0.30 0.00 0.02 0.00 0.00 55.97 55.69 1ssn s LYS 50 Cb -0.43 -1.01 -0.08 0.00 -0.52 0.00 0.00 37.83 35.78 1ssn s LYS 50 CO 0.45 -1.07 1.20 -1.25 -0.92 0.00 0.00 175.35 173.75 1ssn s PRO 51 N 1.93 4.50 0.00 -1.68 0.04 -1.26 -4.43 135.00 134.09 1ssn s PRO 51 Ca 0.11 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1ssn s PRO 51 Cb -0.17 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1ssn s PRO 51 CO -0.26 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1ssn n GLY 52 N 2.07 1.63 3.75 0.56 0.00 -1.26 -5.02 105.19 106.92 1ssn n GLY 52 Ca 0.04 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 1ssn n GLY 52 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ssn s THR 53 N 0.00 2.14 -0.80 2.61 -1.32 -1.26 -4.77 115.64 112.24 1ssn s THR 53 Ca 0.00 0.11 -0.26 0.00 -1.21 0.00 0.00 61.69 60.33 1ssn s THR 53 Cb 0.00 -3.06 0.03 0.00 -1.51 0.00 0.00 72.50 67.96 1ssn s THR 53 CO 0.00 0.00 1.39 -0.89 -2.21 0.00 0.00 174.62 172.91 1ssn s THR 54 N -1.30 3.72 -1.21 5.08 2.01 -1.26 -2.83 115.64 119.86 1ssn s THR 54 Ca 0.69 0.11 -0.21 0.00 0.31 0.00 0.00 61.69 62.59 1ssn s THR 54 Cb -0.40 -4.83 -0.02 0.00 0.01 0.00 0.00 72.50 67.26 1ssn s THR 54 CO 0.49 -1.76 1.83 -0.22 -0.69 0.00 0.00 174.62 174.27 1ssn s LEU 55 N 6.01 3.39 0.18 4.42 1.98 -0.29 -4.46 118.68 129.91 1ssn s LEU 55 Ca 0.41 -1.91 -0.12 0.00 -2.89 0.00 0.00 54.13 49.62 1ssn s LEU 55 Cb -0.07 -2.58 0.00 0.00 0.66 0.00 0.00 46.19 44.20 1ssn s LEU 55 CO 0.10 -2.23 0.38 0.42 -1.89 0.00 0.00 176.35 173.12 1ssn s THR 56 N 7.99 0.05 0.23 3.68 -4.23 -1.26 -4.13 115.64 117.97 1ssn s THR 56 Ca 0.62 -1.21 -0.06 0.00 -1.18 0.00 0.00 61.69 59.86 1ssn s THR 56 Cb 0.01 -1.80 0.19 0.00 1.34 0.00 0.00 72.50 72.24 1ssn s THR 56 CO 0.09 -0.21 1.78 0.50 -0.54 0.00 0.00 174.62 176.24 1ssn h LYS 57 N 2.41 0.62 -0.43 3.99 3.11 -1.38 -1.68 116.57 123.21 1ssn h LYS 57 Ca -0.30 -0.04 0.09 0.00 -2.81 0.00 0.00 60.65 57.59 1ssn h LYS 57 Cb 1.24 -0.14 -0.09 0.00 -1.00 0.00 0.00 32.23 32.24 1ssn h LYS 57 CO 0.44 0.41 -0.14 1.05 -2.81 0.00 0.00 179.45 178.40 1ssn h GLU 58 N 0.64 -0.04 -0.94 1.90 4.11 -1.85 -1.33 114.58 117.08 1ssn h GLU 58 Ca 0.38 0.00 -0.62 0.00 0.07 0.00 0.00 59.36 59.19 1ssn h GLU 58 Cb 0.41 0.01 -0.30 0.00 0.50 0.00 0.00 28.75 29.37 1ssn h GLU 58 CO -0.28 -0.03 0.61 1.63 0.07 0.00 0.00 179.01 181.02 1ssn n LYS 59 N -5.35 2.69 0.00 1.06 5.02 -0.71 -3.87 118.16 117.01 1ssn n LYS 59 Ca 0.03 -3.34 0.00 0.00 -2.02 0.00 0.00 58.31 52.98 1ssn n LYS 59 Cb 0.26 -2.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 1ssn n LYS 59 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1ssn n ILE 60 N -0.94 0.00 0.06 -0.18 0.00 -0.76 -4.57 119.36 112.97 1ssn n ILE 60 Ca 0.59 0.00 -0.04 0.00 0.00 0.00 0.00 62.75 63.30 1ssn n ILE 60 Cb 0.87 -0.53 -0.02 0.00 0.00 0.00 0.00 39.64 39.96 1ssn n ILE 60 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1ssn h GLU 61 N 0.00 -0.22 0.00 9.51 4.81 -1.37 -3.09 114.58 124.21 1ssn h GLU 61 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1ssn h GLU 61 Cb 0.89 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1ssn h GLU 61 CO 0.00 -0.15 -0.15 0.10 -0.73 0.00 0.00 179.01 178.08 1ssn h TYR 62 N -0.23 0.00 -0.03 0.92 -0.00 -1.84 -3.29 116.97 112.49 1ssn h TYR 62 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.71 1ssn h TYR 62 Cb 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.93 1ssn h TYR 62 CO -0.13 0.00 -0.00 -0.92 -0.00 0.00 0.00 178.16 177.10 1ssn h TYR 63 N 0.00 0.06 -0.05 0.10 3.20 -1.80 -1.07 116.97 117.41 1ssn h TYR 63 Ca 0.00 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 1ssn h TYR 63 Cb 0.91 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1ssn h TYR 63 CO 0.00 0.37 -0.40 -0.39 -1.64 0.00 0.00 178.16 176.10 1ssn h VAL 64 N -0.26 1.30 -0.68 1.81 -1.51 -1.69 -2.86 116.25 112.35 1ssn h VAL 64 Ca 0.01 -1.45 -0.06 0.00 -1.23 0.00 0.00 66.70 63.97 1ssn h VAL 64 Cb 0.35 1.71 -0.03 0.00 -2.13 0.00 0.00 31.29 31.19 1ssn h VAL 64 CO 0.00 0.42 0.21 -0.08 -1.23 0.00 0.00 177.57 176.90 1ssn h GLU 65 N 0.10 1.06 -0.13 5.19 4.81 -1.58 -2.52 114.58 121.51 1ssn h GLU 65 Ca 0.01 -0.23 -0.12 0.00 -0.13 0.00 0.00 59.36 58.89 1ssn h GLU 65 Cb 0.76 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1ssn h GLU 65 CO 0.06 0.92 -0.46 -1.49 -0.73 0.00 0.00 179.01 177.31 1ssn h TRP 66 N 1.00 0.38 0.22 0.92 -0.00 -1.10 -2.22 115.95 115.14 1ssn h TRP 66 Ca 0.22 -0.11 -0.01 0.00 -0.00 0.00 0.00 58.89 58.99 1ssn h TRP 66 Cb 0.30 -0.08 0.00 0.00 -0.00 0.00 0.00 29.16 29.39 1ssn h TRP 66 CO 0.02 0.72 -0.11 0.00 -0.00 0.00 0.00 178.44 179.08 1ssn h ALA 67 N 1.26 -0.29 -0.22 1.49 0.00 -1.27 -1.08 119.26 119.15 1ssn h ALA 67 Ca 0.02 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1ssn h ALA 67 Cb 0.91 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1ssn h ALA 67 CO 0.07 -0.53 -0.23 1.37 0.00 0.00 0.00 179.25 179.93 1ssn h LEU 68 N -0.56 0.40 -1.20 0.00 8.10 -1.52 -2.58 115.31 117.94 1ssn h LEU 68 Ca -0.03 -0.12 -0.08 0.00 0.11 0.00 0.00 57.88 57.75 1ssn h LEU 68 Cb 0.41 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.51 1ssn h LEU 68 CO 0.05 0.64 -0.37 0.44 -4.11 0.00 0.00 178.44 175.08 1ssn h ASP 69 N 0.36 0.05 -0.09 0.17 3.32 -1.35 -2.02 116.42 116.86 1ssn h ASP 69 Ca 0.06 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 1ssn h ASP 69 Cb 0.61 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1ssn h ASP 69 CO 0.04 0.42 0.08 0.00 -1.72 0.00 0.00 179.24 178.06 1ssn n ALA 70 N -2.47 4.03 0.06 3.45 0.00 -0.42 -3.59 120.51 121.58 1ssn n ALA 70 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1ssn n ALA 70 Cb 0.41 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1ssn n ALA 70 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ssn n THR 71 N 1.15 0.00 0.00 0.00 -1.04 -1.02 -5.01 114.28 108.36 1ssn n THR 71 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1ssn n THR 71 Cb 0.53 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 1ssn n THR 71 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ssn n ALA 72 N -2.82 0.25 -3.37 2.41 0.00 -0.79 -4.69 120.51 111.50 1ssn n ALA 72 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1ssn n ALA 72 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1ssn n ALA 72 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ssn n TYR 73 N 0.00 -2.42 0.06 0.00 9.36 -1.24 -4.87 117.16 118.04 1ssn n TYR 73 Ca 0.00 0.82 0.00 0.00 3.32 0.00 0.00 57.90 62.04 1ssn n TYR 73 Cb 0.00 -3.78 0.00 0.00 -0.63 0.00 0.00 39.34 34.93 1ssn n TYR 73 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1ssn n LYS 74 N -3.01 0.00 -3.69 2.98 5.02 -1.25 -4.97 118.16 113.24 1ssn n LYS 74 Ca -0.08 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.93 1ssn n LYS 74 Cb 0.58 -0.06 -0.11 0.00 -0.02 0.00 0.00 35.03 35.43 1ssn n LYS 74 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ssn n GLU 75 N -2.95 1.53 -3.65 1.97 1.02 -0.27 -4.88 120.64 113.41 1ssn n GLU 75 Ca 0.00 -4.18 -0.05 0.00 -0.02 0.00 0.00 57.16 52.91 1ssn n GLU 75 Cb 0.03 -2.10 -0.06 0.00 -0.02 0.00 0.00 31.44 29.29 1ssn n GLU 75 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1ssn s PHE 76 N -1.28 -1.13 0.00 -0.32 5.36 -1.26 -4.12 117.98 115.24 1ssn s PHE 76 Ca 0.29 2.15 0.00 0.00 -0.96 0.00 0.00 56.93 58.41 1ssn s PHE 76 Cb 0.01 0.67 0.00 0.00 -0.34 0.00 0.00 43.02 43.36 1ssn s PHE 76 CO -0.15 -0.56 0.00 -2.13 -1.46 0.00 0.00 175.22 170.92 1ssn n ARG 77 N 4.68 0.00 -0.80 10.12 0.63 -0.49 -4.82 116.66 125.98 1ssn n ARG 77 Ca -0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 1ssn n ARG 77 Cb 0.56 -0.34 0.00 0.00 0.45 0.00 0.00 32.46 33.13 1ssn n ARG 77 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1ssn n VAL 78 N -1.33 -4.05 0.27 5.15 0.31 -1.22 -4.84 118.33 112.62 1ssn n VAL 78 Ca 0.00 0.60 -0.12 0.00 -0.01 0.00 0.00 64.34 64.81 1ssn n VAL 78 Cb 0.00 -2.67 -0.06 0.00 -0.91 0.00 0.00 33.84 30.20 1ssn n VAL 78 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ssn h VAL 79 N 0.76 0.11 -2.98 2.52 2.07 -1.44 -3.42 116.25 113.87 1ssn h VAL 79 Ca 0.00 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 1ssn h VAL 79 Cb 0.00 0.17 -0.17 0.00 -1.52 0.00 0.00 31.29 29.77 1ssn h VAL 79 CO 0.00 0.02 -0.10 -0.70 0.02 0.00 0.00 177.57 176.81 1ssn s GLU 80 N -4.15 0.91 -0.02 1.57 2.12 -1.08 -5.04 118.70 113.02 1ssn s GLU 80 Ca -0.12 -0.32 0.07 0.00 0.36 0.00 0.00 54.97 54.96 1ssn s GLU 80 Cb 0.01 0.41 -0.02 0.00 0.26 0.00 0.00 34.13 34.79 1ssn s GLU 80 CO 0.37 -0.31 -0.23 -0.48 -0.54 0.00 0.00 175.26 174.07 1ssn s LEU 81 N -1.92 2.23 0.20 2.70 0.05 -1.26 -1.38 118.68 119.31 1ssn s LEU 81 Ca -0.06 -0.42 -0.30 0.00 0.05 0.00 0.00 54.13 53.40 1ssn s LEU 81 Cb -0.01 -1.39 -0.08 0.00 -2.05 0.00 0.00 46.19 42.66 1ssn s LEU 81 CO -0.01 0.32 1.06 -1.81 -0.55 0.00 0.00 176.35 175.35 1ssn s ASP 82 N -0.75 7.35 0.26 1.48 1.11 -1.24 -4.96 116.67 119.92 1ssn s ASP 82 Ca 0.11 2.08 0.03 0.00 0.18 0.00 0.00 52.55 54.94 1ssn s ASP 82 Cb -0.10 -2.61 0.32 0.00 1.07 0.00 0.00 42.92 41.60 1ssn s ASP 82 CO -0.00 -0.12 1.63 1.55 1.18 0.00 0.00 175.17 179.40 1ssn h PRO 83 N 4.72 0.36 -3.32 8.23 0.13 -2.00 -3.32 132.00 136.80 1ssn h PRO 83 Ca -0.45 -0.19 -0.72 0.00 -0.87 0.00 0.00 66.00 63.77 1ssn h PRO 83 Cb 1.21 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.27 1ssn h PRO 83 CO 0.70 0.74 2.80 0.43 -0.23 0.00 0.00 178.00 182.45 1ssn n SER 84 N -3.99 6.23 -4.78 1.44 7.64 -1.26 -4.90 113.62 114.00 1ssn n SER 84 Ca -0.02 -2.93 -0.32 0.00 1.01 0.00 0.00 58.87 56.62 1ssn n SER 84 Cb 0.52 -1.52 0.07 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 1.15 2.38 0.04 -0.43 0.00 -1.25 -4.91 121.76 118.74 1ssn s ALA 85 Ca 0.51 0.31 -0.03 0.00 0.00 0.00 0.00 51.96 52.75 1ssn s ALA 85 Cb 0.15 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 1ssn s ALA 85 CO -0.06 -1.55 0.04 -1.59 0.00 0.00 0.00 175.76 172.60 1ssn s LYS 86 N -4.71 0.54 -0.14 0.00 -2.85 -1.26 -3.02 119.74 108.31 1ssn s LYS 86 Ca 0.62 -0.83 -0.01 0.00 -1.00 0.00 0.00 55.97 54.75 1ssn s LYS 86 Cb -0.17 0.20 0.03 0.00 -2.06 0.00 0.00 37.83 35.83 1ssn s LYS 86 CO 0.52 -0.12 -0.06 0.42 0.10 0.00 0.00 175.35 176.21 1ssn s ILE 87 N -2.68 1.00 -0.98 3.79 1.09 -0.73 -3.40 121.20 119.29 1ssn s ILE 87 Ca -0.04 -0.42 -0.02 0.00 -1.10 0.00 0.00 60.65 59.07 1ssn s ILE 87 Cb -0.01 -1.11 0.31 0.00 -1.06 0.00 0.00 42.46 40.58 1ssn s ILE 87 CO -0.05 0.24 1.43 -0.62 -0.10 0.00 0.00 174.94 175.84 1ssn n GLU 88 N 4.93 4.37 -2.04 2.79 1.02 -1.06 -2.79 120.64 127.86 1ssn n GLU 88 Ca -0.12 -4.61 -0.42 0.00 -0.02 0.00 0.00 57.16 51.98 1ssn n GLU 88 Cb 0.49 -2.45 -0.03 0.00 -0.02 0.00 0.00 31.44 29.43 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 -3.18 3.63 -0.20 2.62 0.11 -1.13 -3.77 120.40 118.47 1ssn s VAL 89 Ca 0.35 0.75 0.01 0.00 -2.93 0.00 0.00 61.98 60.16 1ssn s VAL 89 Cb 0.10 -3.51 0.03 0.00 -1.53 0.00 0.00 36.38 31.47 1ssn s VAL 89 CO 0.03 -0.10 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.65 1ssn s THR 90 N 4.25 2.18 -0.30 5.04 2.01 -1.15 -1.80 115.64 125.88 1ssn s THR 90 Ca 0.73 -1.09 -0.02 0.00 0.31 0.00 0.00 61.69 61.61 1ssn s THR 90 Cb -0.31 -2.02 0.04 0.00 0.01 0.00 0.00 72.50 70.23 1ssn s THR 90 CO 0.29 0.39 0.01 -0.72 -0.69 0.00 0.00 174.62 173.89 1ssn s TYR 91 N 1.26 3.24 -0.94 4.92 1.13 -1.25 -0.89 117.35 124.81 1ssn s TYR 91 Ca 0.02 -1.76 -0.01 0.00 -1.41 0.00 0.00 57.07 53.91 1ssn s TYR 91 Cb -0.15 -2.12 0.33 0.00 -1.10 0.00 0.00 41.96 38.92 1ssn s TYR 91 CO -0.10 -0.78 1.82 0.66 -2.51 0.00 0.00 175.55 174.63 1ssn n TYR 92 N 4.66 2.92 -3.01 -3.49 4.01 -1.24 -2.89 117.16 118.12 1ssn n TYR 92 Ca -0.13 -2.59 -0.44 0.00 -0.16 0.00 0.00 57.90 54.57 1ssn n TYR 92 Cb 0.44 -1.13 -0.02 0.00 -0.31 0.00 0.00 39.34 38.32 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 -1.44 6.78 -1.34 7.72 2.15 -1.26 -2.76 116.67 126.52 1ssn s ASP 93 Ca 0.43 -2.42 -0.13 0.00 0.43 0.00 0.00 52.55 50.87 1ssn s ASP 93 Cb 0.27 -2.36 -0.04 0.00 -0.30 0.00 0.00 42.92 40.48 1ssn s ASP 93 CO -0.21 -0.89 2.39 0.29 -0.17 0.00 0.00 175.17 176.58 1ssn n LYS 94 N 5.81 2.80 0.00 4.34 5.02 -1.26 -1.10 118.16 133.78 1ssn n LYS 94 Ca 0.25 -2.21 0.00 0.00 -2.02 0.00 0.00 58.31 54.33 1ssn n LYS 94 Cb 0.47 -2.98 0.00 0.00 -0.02 0.00 0.00 35.03 32.50 1ssn n LYS 94 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ssn n ASN 95 N 5.31 0.00 0.06 4.39 3.02 -1.26 -4.94 115.26 121.83 1ssn n ASN 95 Ca 0.59 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.14 1ssn n ASN 95 Cb 0.31 0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 1ssn n ASN 95 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1ssn n LYS 96 N -2.39 0.00 -0.06 3.52 3.00 -1.19 -5.01 118.16 116.02 1ssn n LYS 96 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 1ssn n LYS 96 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 34.92 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 -0.01 -0.76 1.64 1.63 -1.74 -3.50 116.57 113.82 1ssn h LYS 97 Ca 0.00 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.88 1ssn h LYS 97 Cb 0.00 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.60 1ssn h LYS 97 CO 0.00 0.82 -0.23 1.63 -3.45 0.00 0.00 179.45 178.22 1ssn n LYS 98 N -4.66 -0.72 -1.54 1.90 5.02 -0.26 -4.84 118.16 113.05 1ssn n LYS 98 Ca -0.09 0.55 -0.48 0.00 -2.02 0.00 0.00 58.31 56.28 1ssn n LYS 98 Cb 0.40 -0.85 -0.05 0.00 -0.02 0.00 0.00 35.03 34.51 1ssn n LYS 98 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1ssn n GLU 99 N -2.79 1.59 -3.55 1.97 2.13 -1.14 -4.56 120.64 114.30 1ssn n GLU 99 Ca -0.01 0.47 -0.25 0.00 0.66 0.00 0.00 57.16 58.02 1ssn n GLU 99 Cb 0.15 -2.77 -0.15 0.00 0.27 0.00 0.00 31.44 28.95 1ssn n GLU 99 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1ssn s GLU 100 N 5.86 0.16 -1.03 5.31 2.02 -1.25 -4.98 118.70 124.78 1ssn s GLU 100 Ca 1.03 -0.24 -0.23 0.00 0.02 0.00 0.00 54.97 55.55 1ssn s GLU 100 Cb -0.65 -1.36 0.03 0.00 0.10 0.00 0.00 34.13 32.25 1ssn s GLU 100 CO 0.45 -0.85 1.60 0.99 0.02 0.00 0.00 175.26 177.47 1ssn s THR 101 N 2.17 3.83 -0.85 3.63 2.01 -1.26 -3.91 115.64 121.26 1ssn s THR 101 Ca 0.06 -0.81 -0.25 0.00 0.31 0.00 0.00 61.69 61.00 1ssn s THR 101 Cb -0.16 -4.84 0.04 0.00 0.01 0.00 0.00 72.50 67.55 1ssn s THR 101 CO -0.24 -1.71 1.34 -0.75 -0.69 0.00 0.00 174.62 172.58 1ssn s LYS 102 N 5.37 3.36 -1.31 4.92 2.47 -0.75 -4.91 119.74 128.89 1ssn s LYS 102 Ca 0.53 -0.63 -0.06 0.00 -1.56 0.00 0.00 55.97 54.25 1ssn s LYS 102 Cb -0.01 -4.67 0.13 0.00 -1.46 0.00 0.00 37.83 31.82 1ssn s LYS 102 CO -0.05 -2.16 2.31 -1.13 0.16 0.00 0.00 175.35 174.47 1ssn n SER 103 N 9.12 7.71 -4.77 1.43 3.41 -1.26 -2.86 113.62 126.40 1ssn n SER 103 Ca 0.15 -3.16 -0.38 0.00 -0.26 0.00 0.00 58.87 55.23 1ssn n SER 103 Cb 0.50 -1.37 -0.02 0.00 -0.26 0.00 0.00 64.21 63.06 1ssn n SER 103 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1ssn s PHE 104 N -1.11 3.05 0.00 7.33 -0.71 -1.12 -4.82 117.98 120.60 1ssn s PHE 104 Ca 0.52 1.56 0.00 0.00 -1.04 0.00 0.00 56.93 57.97 1ssn s PHE 104 Cb 0.17 -3.34 0.00 0.00 -1.21 0.00 0.00 43.02 38.64 1ssn s PHE 104 CO -0.08 -1.25 0.00 -0.35 -1.34 0.00 0.00 175.22 172.20 1ssn n PRO 105 N -0.12 0.00 -3.46 1.99 -0.04 -1.26 -1.77 135.00 130.33 1ssn n PRO 105 Ca 0.05 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.40 1ssn n PRO 105 Cb 0.47 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.91 1ssn n PRO 105 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1ssn s ILE 106 N 0.00 0.00 0.09 0.52 1.10 -1.17 -4.08 121.20 117.66 1ssn s ILE 106 Ca 0.00 0.00 0.03 0.00 -0.51 0.00 0.00 60.65 60.17 1ssn s ILE 106 Cb 0.00 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.57 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 -3.30 0.84 0.06 4.00 -4.23 -1.26 -4.95 115.64 106.79 1ssn s THR 107 Ca 0.02 -1.64 -0.22 0.00 -1.18 0.00 0.00 61.69 58.67 1ssn s THR 107 Cb -0.01 -1.34 -0.14 0.00 1.34 0.00 0.00 72.50 72.35 1ssn s THR 107 CO -0.10 -0.61 1.55 -0.33 -0.54 0.00 0.00 174.62 174.60 1ssn h GLU 108 N 3.54 0.14 -2.02 3.99 4.39 -1.97 -1.48 114.58 121.18 1ssn h GLU 108 Ca -0.37 -0.03 -0.51 0.00 0.34 0.00 0.00 59.36 58.79 1ssn h GLU 108 Cb 1.19 -0.02 -0.40 0.00 -0.10 0.00 0.00 28.75 29.42 1ssn h GLU 108 CO 0.54 0.31 -1.14 1.63 -1.16 0.00 0.00 179.01 179.19 1ssn n LYS 109 N -4.90 1.03 0.00 2.33 5.02 -1.26 -3.92 118.16 116.46 1ssn n LYS 109 Ca -0.06 -3.43 0.00 0.00 -2.02 0.00 0.00 58.31 52.80 1ssn n LYS 109 Cb 0.14 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 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 0.56 1.20 3.39 0.72 0.00 -1.26 -5.10 105.19 104.72 1ssn n GLY 110 Ca 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.08 -0.45 0.45 1.61 -0.12 -1.26 -5.09 117.98 113.05 1ssn s PHE 111 Ca 0.00 0.25 -0.14 0.00 -0.05 0.00 0.00 56.93 56.99 1ssn s PHE 111 Cb 0.00 0.46 -0.08 0.00 -0.63 0.00 0.00 43.02 42.77 1ssn s PHE 111 CO 0.00 -0.78 0.88 0.08 -0.05 0.00 0.00 175.22 175.35 1ssn s VAL 112 N -3.56 4.63 -0.32 -2.49 1.01 -1.26 -1.14 120.40 117.28 1ssn s VAL 112 Ca 0.01 0.98 -0.38 0.00 0.00 0.00 0.00 61.98 62.58 1ssn s VAL 112 Cb -0.00 -3.71 -0.14 0.00 0.00 0.00 0.00 36.38 32.53 1ssn s VAL 112 CO -0.11 -0.57 1.97 0.52 0.00 0.00 0.00 175.10 176.91 1ssn n VAL 113 N -1.33 0.25 -1.76 2.92 0.31 -1.13 -4.75 118.33 112.83 1ssn n VAL 113 Ca 0.05 -0.13 -0.30 0.00 -0.01 0.00 0.00 64.34 63.94 1ssn n VAL 113 Cb 0.54 -1.36 0.07 0.00 -0.91 0.00 0.00 33.84 32.17 1ssn n VAL 113 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1ssn s PRO 114 N 4.89 2.48 0.75 5.55 0.04 -1.26 -4.53 135.00 142.92 1ssn s PRO 114 Ca 1.05 0.49 -0.12 0.00 0.04 0.00 0.00 61.00 62.46 1ssn s PRO 114 Cb -1.01 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 31.61 1ssn s PRO 114 CO 0.58 -1.31 1.10 -0.51 0.04 0.00 0.00 177.00 176.91 1ssn s ASP 115 N -4.22 4.54 -0.17 6.66 1.01 -1.26 -4.93 116.67 118.31 1ssn s ASP 115 Ca 0.60 1.91 -0.05 0.00 0.71 0.00 0.00 52.55 55.72 1ssn s ASP 115 Cb -0.12 -2.53 -0.11 0.00 1.01 0.00 0.00 42.92 41.16 1ssn s ASP 115 CO 0.52 -2.01 3.13 0.00 0.21 0.00 0.00 175.17 177.02 1ssn n LEU 116 N -3.25 5.73 0.00 1.23 -0.00 -1.26 -4.95 117.00 114.49 1ssn n LEU 116 Ca 0.10 -3.42 0.00 0.00 -0.00 0.00 0.00 56.01 52.68 1ssn n LEU 116 Cb 0.53 -1.32 0.00 0.00 -0.00 0.00 0.00 43.42 42.63 1ssn n LEU 116 CO 0.51 1.63 0.00 -0.24 -0.00 0.00 0.00 177.39 179.30 1ssn n SER 117 N 1.76 0.00 0.07 1.45 2.88 -1.26 -4.39 113.62 114.13 1ssn n SER 117 Ca 0.41 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1ssn n SER 117 Cb 0.75 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 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 -1.17 -1.46 2.13 -1.26 -5.00 120.64 113.87 1ssn n GLU 118 Ca 0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 1ssn n GLU 118 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 -2.75 1.61 -3.64 4.31 1.44 -1.26 -4.83 115.22 110.10 1ssn n HIS 119 Ca 0.00 -2.00 -0.10 0.00 -2.01 0.00 0.00 57.72 53.61 1ssn n HIS 119 Cb 0.00 -1.17 -0.07 0.00 0.12 0.00 0.00 29.99 28.87 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 -2.34 0.00 -0.26 0.61 1.10 -1.26 -4.30 121.20 114.75 1ssn s ILE 120 Ca 0.45 0.00 -0.05 0.00 -0.51 0.00 0.00 60.65 60.54 1ssn s ILE 120 Cb 0.32 -1.00 -0.15 0.00 0.15 0.00 0.00 42.46 41.77 1ssn s ILE 120 CO -0.10 0.00 -0.25 1.17 -2.11 0.00 0.00 174.94 173.65 1ssn n LYS 121 N 2.71 0.63 -3.43 3.50 4.81 -1.26 -4.91 118.16 120.21 1ssn n LYS 121 Ca -0.14 0.20 -0.27 0.00 -0.87 0.00 0.00 58.31 57.23 1ssn n LYS 121 Cb 0.56 -1.52 -0.08 0.00 0.02 0.00 0.00 35.03 34.01 1ssn n LYS 121 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1ssn n ASN 122 N -3.65 3.11 -4.78 3.14 2.04 -1.26 -4.35 115.26 109.51 1ssn n ASN 122 Ca -0.49 -3.30 -0.41 0.00 -0.44 0.00 0.00 54.58 49.95 1ssn n ASN 122 Cb 0.95 -0.67 0.00 0.00 -2.53 0.00 0.00 39.78 37.53 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 1.07 2.63 -3.23 -0.53 -0.02 -1.26 -3.73 135.00 129.92 1ssn n PRO 123 Ca 0.28 0.92 -0.29 0.00 -2.02 0.00 0.00 63.50 62.39 1ssn n PRO 123 Cb 0.42 -2.67 -0.06 0.00 -0.02 0.00 0.00 33.50 31.17 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 0.46 5.10 3.55 -1.23 0.00 -0.07 -2.78 105.19 110.23 1ssn n GLY 124 Ca 0.02 -2.76 -0.39 0.00 0.00 0.00 0.00 46.02 42.88 1ssn n GLY 124 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ssn n PHE 125 N 0.59 1.52 -3.30 1.61 3.01 -1.09 -2.92 117.46 116.88 1ssn n PHE 125 Ca 0.30 0.09 -0.46 0.00 1.01 0.00 0.00 57.45 58.39 1ssn n PHE 125 Cb 0.39 -2.64 -0.01 0.00 -0.01 0.00 0.00 39.48 37.21 1ssn n PHE 125 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1ssn s ASN 126 N 10.73 6.96 -1.00 4.37 0.01 -1.25 -1.18 114.94 133.59 1ssn s ASN 126 Ca 1.02 -2.98 -0.24 0.00 -0.71 0.00 0.00 52.86 49.95 1ssn s ASN 126 Cb -0.33 -2.23 -0.07 0.00 0.41 0.00 0.00 41.25 39.03 1ssn s ASN 126 CO 0.31 -0.51 1.98 -0.76 -1.51 0.00 0.00 177.10 176.61 1ssn s LEU 127 N -0.15 3.08 -0.13 0.60 2.01 -0.53 -2.56 118.68 121.00 1ssn s LEU 127 Ca 0.24 -0.99 -0.02 0.00 0.01 0.00 0.00 54.13 53.37 1ssn s LEU 127 Cb -0.09 -2.57 0.04 0.00 0.01 0.00 0.00 46.19 43.57 1ssn s LEU 127 CO -0.08 -3.01 0.00 -0.63 1.01 0.00 0.00 176.35 173.64 1ssn s ILE 128 N 10.95 0.54 -0.11 -0.59 1.01 -1.22 -2.06 121.20 129.73 1ssn s ILE 128 Ca 0.71 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 61.15 1ssn s ILE 128 Cb -0.05 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.59 1ssn s ILE 128 CO 0.05 0.08 -0.18 -0.89 0.00 0.00 0.00 174.94 174.01 1ssn s THR 129 N 1.88 2.65 0.00 2.92 2.01 -1.25 -4.05 115.64 119.80 1ssn s THR 129 Ca 0.02 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 60.91 1ssn s THR 129 Cb -0.14 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1ssn s THR 129 CO -0.07 0.54 1.15 -0.75 -0.69 0.00 0.00 174.62 174.81 1ssn s LYS 130 N 0.30 4.42 0.04 4.92 2.36 -1.26 -2.21 119.74 128.31 1ssn s LYS 130 Ca -0.13 1.66 0.00 0.00 -2.55 0.00 0.00 55.97 54.95 1ssn s LYS 130 Cb -0.17 -3.45 -0.03 0.00 -1.05 0.00 0.00 37.83 33.14 1ssn s LYS 130 CO 0.07 -0.29 -0.04 0.14 1.55 0.00 0.00 175.35 176.78 1ssn s VAL 131 N 1.52 0.22 -0.66 4.02 -7.23 -1.22 -3.69 120.40 113.36 1ssn s VAL 131 Ca 0.56 -1.25 -0.17 0.00 -1.81 0.00 0.00 61.98 59.31 1ssn s VAL 131 Cb -0.26 -0.75 0.14 0.00 0.56 0.00 0.00 36.38 36.07 1ssn s VAL 131 CO 0.26 -0.66 0.70 -0.69 -0.31 0.00 0.00 175.10 174.40 1ssn s VAL 132 N -2.31 5.08 0.15 1.32 1.01 -0.48 -2.93 120.40 122.25 1ssn s VAL 132 Ca -0.07 -1.49 -0.27 0.00 0.00 0.00 0.00 61.98 60.15 1ssn s VAL 132 Cb -0.04 -4.47 -0.07 0.00 0.00 0.00 0.00 36.38 31.80 1ssn s VAL 132 CO -0.04 -1.07 0.82 -0.63 0.00 0.00 0.00 175.10 174.19 1ssn s ILE 133 N 1.86 4.39 -0.34 2.22 1.01 -1.10 -1.30 121.20 127.94 1ssn s ILE 133 Ca 0.12 1.80 -0.11 0.00 0.00 0.00 0.00 60.65 62.46 1ssn s ILE 133 Cb -0.21 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.07 1ssn s ILE 133 CO 0.01 0.47 0.20 -0.70 0.00 0.00 0.00 174.94 174.91 1ssn s GLU 134 N -0.83 3.17 -0.87 2.79 2.56 -1.26 -4.57 118.70 119.70 1ssn s GLU 134 Ca 0.38 -0.84 -0.18 0.00 0.00 0.00 0.00 54.97 54.33 1ssn s GLU 134 Cb -0.23 -3.69 0.14 0.00 2.00 0.00 0.00 34.13 32.35 1ssn s GLU 134 CO 0.27 -0.54 1.02 0.21 -0.56 0.00 0.00 175.26 175.66 1ssn s LYS 135 N 1.62 3.52 0.00 4.30 2.20 -1.26 -1.39 119.74 128.72 1ssn s LYS 135 Ca 0.04 -1.78 0.32 0.00 -0.36 0.00 0.00 55.97 54.18 1ssn s LYS 135 Cb -0.18 -4.73 1.86 0.00 -1.51 0.00 0.00 37.83 33.27 1ssn s LYS 135 CO 0.07 -1.67 2.20 0.36 -0.36 0.00 0.00 175.35 175.95