#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssn s SER 2 N 0.00 3.54 -0.31 -3.46 0.15 -1.25 -4.95 113.70 107.42 1ssn s SER 2 Ca 0.00 0.17 -0.06 0.00 0.70 0.00 0.00 55.95 56.76 1ssn s SER 2 Cb 0.00 -0.34 -0.19 0.00 -1.71 0.00 0.00 66.02 63.78 1ssn s SER 2 CO 0.00 -2.45 3.40 -1.54 1.20 0.00 0.00 173.24 173.85 1ssn n SER 3 N -3.50 5.94 -1.87 5.45 3.41 -1.26 -4.56 113.62 117.23 1ssn n SER 3 Ca 0.14 -2.61 -0.20 0.00 -0.26 0.00 0.00 58.87 55.95 1ssn n SER 3 Cb 0.60 -1.41 -0.06 0.00 -0.26 0.00 0.00 64.21 63.08 1ssn n SER 3 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ssn n PHE 4 N 2.40 -0.43 -1.42 7.33 3.72 -1.26 -3.83 117.46 123.97 1ssn n PHE 4 Ca 0.49 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 58.07 1ssn n PHE 4 Cb 0.76 -3.49 -0.07 0.00 -0.94 0.00 0.00 39.48 35.74 1ssn n PHE 4 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ssn n ASP 5 N -1.50 -8.53 0.00 4.37 2.03 -1.26 -4.70 116.55 106.97 1ssn n ASP 5 Ca -0.21 0.97 0.00 0.00 0.52 0.00 0.00 54.79 56.07 1ssn n ASP 5 Cb 0.65 -4.57 0.00 0.00 -0.72 0.00 0.00 41.12 36.49 1ssn n ASP 5 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1ssn n LYS 6 N -4.27 0.00 0.00 -0.67 2.85 -1.26 -4.83 118.16 109.98 1ssn n LYS 6 Ca -0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 1ssn n LYS 6 Cb 0.66 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.04 1ssn n LYS 6 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ssn n GLY 7 N 0.00 2.63 2.91 2.58 0.00 -1.26 -5.01 105.19 107.03 1ssn n GLY 7 Ca 0.00 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 3.32 0.23 1.61 5.02 -1.25 -4.79 118.16 122.29 1ssn n LYS 8 Ca 0.00 -3.22 -0.13 0.00 -2.02 0.00 0.00 58.31 52.93 1ssn n LYS 8 Cb 0.00 -3.09 -0.07 0.00 -0.02 0.00 0.00 35.03 31.85 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 6.05 -0.56 -2.38 2.13 3.20 -1.84 -3.46 116.97 120.10 1ssn h TYR 9 Ca 0.45 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.31 1ssn h TYR 9 Cb 0.67 0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.12 1ssn h TYR 9 CO 1.32 -0.24 -0.16 1.63 -1.64 0.00 0.00 178.16 179.08 1ssn n LYS 10 N -5.22 -0.84 0.27 1.82 4.76 -1.17 -4.98 118.16 112.80 1ssn n LYS 10 Ca -0.10 1.03 -0.16 0.00 -2.87 0.00 0.00 58.31 56.21 1ssn n LYS 10 Cb 0.30 -1.15 -0.08 0.00 -1.84 0.00 0.00 35.03 32.25 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 0.68 -0.86 0.00 1.97 3.64 -1.71 -3.48 116.57 116.82 1ssn h LYS 11 Ca 0.00 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1ssn h LYS 11 Cb 0.00 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1ssn h LYS 11 CO 0.00 -0.57 0.00 0.41 -2.27 0.00 0.00 179.45 177.02 1ssn n GLY 12 N -1.49 0.29 2.37 5.01 0.00 -1.26 -5.08 105.19 105.03 1ssn n GLY 12 Ca -0.11 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 1ssn n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ssn n ASP 13 N 0.00 3.59 -3.74 1.61 8.00 -1.26 -4.96 116.55 119.79 1ssn n ASP 13 Ca 0.00 -3.10 -0.27 0.00 0.71 0.00 0.00 54.79 52.13 1ssn n ASP 13 Cb 0.00 -0.41 0.03 0.00 -0.02 0.00 0.00 41.12 40.72 1ssn n ASP 13 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ssn n ASP 14 N -0.63 -3.18 -1.31 -2.24 2.03 -1.26 -4.48 116.55 105.48 1ssn n ASP 14 Ca 0.29 -0.96 0.00 0.00 0.52 0.00 0.00 54.79 54.64 1ssn n ASP 14 Cb 0.88 -3.51 0.00 0.00 -0.72 0.00 0.00 41.12 37.77 1ssn n ASP 14 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ssn n ALA 15 N -4.22 0.00 -2.78 -1.67 0.00 -1.26 -1.70 120.51 108.88 1ssn n ALA 15 Ca -0.19 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.24 1ssn n ALA 15 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1ssn n ALA 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ssn n SER 16 N -1.69 -6.72 0.00 0.00 7.64 -1.26 -4.78 113.62 106.81 1ssn n SER 16 Ca 0.00 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1ssn n SER 16 Cb 0.00 -4.53 0.00 0.00 -1.01 0.00 0.00 64.21 58.67 1ssn n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ssn n TYR 17 N -1.68 0.00 -3.06 1.43 4.19 -1.26 -4.99 117.16 111.79 1ssn n TYR 17 Ca -0.00 0.00 -0.06 0.00 3.31 0.00 0.00 57.90 61.15 1ssn n TYR 17 Cb 0.50 0.07 0.01 0.00 0.49 0.00 0.00 39.34 40.41 1ssn n TYR 17 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1ssn n PHE 18 N 6.37 -3.09 -1.08 2.98 7.35 -1.26 -4.90 117.46 123.83 1ssn n PHE 18 Ca 0.00 1.21 0.14 0.00 -0.76 0.00 0.00 57.45 58.04 1ssn n PHE 18 Cb 0.00 -3.92 -0.06 0.00 0.35 0.00 0.00 39.48 35.86 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 -1.26 -2.37 -1.60 -4.13 4.71 -1.26 -4.60 120.64 110.13 1ssn n GLU 19 Ca 0.02 1.81 -0.44 0.00 -0.01 0.00 0.00 57.16 58.53 1ssn n GLU 19 Cb 0.51 -2.82 -0.04 0.00 -1.01 0.00 0.00 31.44 28.08 1ssn n GLU 19 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 1ssn n PRO 20 N -3.84 2.10 0.00 3.49 -0.02 -1.26 -4.73 135.00 130.74 1ssn n PRO 20 Ca -0.04 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1ssn n PRO 20 Cb 0.51 -3.03 0.00 0.00 -0.02 0.00 0.00 33.50 30.96 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 6.88 0.00 -3.27 3.45 -2.24 -1.26 -5.09 114.28 112.75 1ssn n THR 21 Ca 0.28 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.09 1ssn n THR 21 Cb 0.40 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.60 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 -3.02 -0.70 1.05 3.38 0.00 -0.69 -5.02 107.32 102.33 1ssn s GLY 22 Ca 0.00 2.31 -0.16 0.00 0.00 0.00 0.00 44.72 46.86 1ssn s GLY 22 CO 0.00 3.41 1.18 2.56 0.00 0.00 0.00 173.10 180.25 1ssn s PRO 23 N 2.83 -0.05 0.22 2.90 0.04 -1.26 -4.08 135.00 135.61 1ssn s PRO 23 Ca 0.08 -0.05 -0.17 0.00 0.04 0.00 0.00 61.00 60.90 1ssn s PRO 23 Cb -0.12 -1.73 0.02 0.00 0.04 0.00 0.00 34.50 32.70 1ssn s PRO 23 CO -0.18 -2.93 0.54 1.52 0.04 0.00 0.00 177.00 175.99 1ssn s TYR 24 N -3.33 0.00 -0.42 0.56 -0.85 -1.23 -4.04 117.35 108.05 1ssn s TYR 24 Ca 0.70 -0.37 0.04 0.00 -0.52 0.00 0.00 57.07 56.91 1ssn s TYR 24 Cb -0.10 0.39 0.17 0.00 0.38 0.00 0.00 41.96 42.80 1ssn s TYR 24 CO 0.55 -0.99 0.34 -1.17 -1.52 0.00 0.00 175.55 172.75 1ssn s LEU 25 N -2.92 1.52 -0.65 -3.49 2.96 -0.88 -2.58 118.68 112.64 1ssn s LEU 25 Ca 0.13 -3.03 -0.27 0.00 -0.22 0.00 0.00 54.13 50.74 1ssn s LEU 25 Cb -0.02 -0.49 0.00 0.00 0.50 0.00 0.00 46.19 46.19 1ssn s LEU 25 CO 0.02 -0.18 1.58 -0.04 -1.32 0.00 0.00 176.35 176.41 1ssn s MET 26 N 0.08 2.94 -1.30 1.98 -1.94 -0.46 -4.44 119.30 116.16 1ssn s MET 26 Ca 0.31 0.29 -0.15 0.00 -1.71 0.00 0.00 55.69 54.43 1ssn s MET 26 Cb 0.01 -4.27 0.11 0.00 2.01 0.00 0.00 34.83 32.69 1ssn s MET 26 CO -0.18 -2.39 1.75 0.28 -0.01 0.00 0.00 175.02 174.47 1ssn n VAL 27 N 6.86 4.03 -3.77 -6.03 0.31 -1.24 -1.75 118.33 116.74 1ssn n VAL 27 Ca 0.13 -4.17 -0.13 0.00 -0.01 0.00 0.00 64.34 60.16 1ssn n VAL 27 Cb 0.50 -2.43 -0.09 0.00 -0.91 0.00 0.00 33.84 30.91 1ssn n VAL 27 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1ssn s ASN 28 N 3.07 -0.20 0.01 4.52 -0.87 -1.26 -4.81 114.94 115.39 1ssn s ASN 28 Ca 0.47 0.16 -0.01 0.00 -1.57 0.00 0.00 52.86 51.92 1ssn s ASN 28 Cb 0.04 0.36 -0.01 0.00 -0.02 0.00 0.00 41.25 41.63 1ssn s ASN 28 CO 0.01 -0.38 0.00 0.68 -2.57 0.00 0.00 177.10 174.84 1ssn s VAL 29 N -1.06 0.05 -0.47 1.60 -7.23 -1.26 -3.69 120.40 108.33 1ssn s VAL 29 Ca -0.11 -0.39 -0.28 0.00 -1.81 0.00 0.00 61.98 59.39 1ssn s VAL 29 Cb -0.05 -0.14 -0.01 0.00 0.56 0.00 0.00 36.38 36.74 1ssn s VAL 29 CO 0.03 -0.21 1.75 -0.89 -0.31 0.00 0.00 175.10 175.47 1ssn s THR 30 N -0.63 3.50 -1.18 5.32 2.01 -0.13 -4.70 115.64 119.82 1ssn s THR 30 Ca -0.07 0.44 -0.14 0.00 0.31 0.00 0.00 61.69 62.22 1ssn s THR 30 Cb -0.04 -3.89 0.17 0.00 0.01 0.00 0.00 72.50 68.74 1ssn s THR 30 CO -0.00 -0.71 1.41 -0.83 -0.69 0.00 0.00 174.62 173.80 1ssn s GLY 31 N 6.53 2.35 0.68 4.40 0.00 -1.26 -1.75 107.32 118.27 1ssn s GLY 31 Ca 0.70 -3.30 -0.05 0.00 0.00 0.00 0.00 44.72 42.07 1ssn s GLY 31 CO 0.28 2.06 0.97 -1.34 0.00 0.00 0.00 173.10 175.06 1ssn s VAL 32 N 1.72 2.35 -0.01 1.40 -7.23 -0.69 -2.09 120.40 115.84 1ssn s VAL 32 Ca 0.42 -0.36 -0.21 0.00 -1.81 0.00 0.00 61.98 60.02 1ssn s VAL 32 Cb -0.03 -2.99 -0.26 0.00 0.56 0.00 0.00 36.38 33.66 1ssn s VAL 32 CO -0.01 0.00 1.03 -2.24 -0.31 0.00 0.00 175.10 173.58 1ssn h ASP 33 N -0.47 0.49 0.00 4.85 2.03 -1.74 -1.94 116.42 119.65 1ssn h ASP 33 Ca -0.44 -0.82 0.00 0.00 -0.73 0.00 0.00 57.03 55.04 1ssn h ASP 33 Cb 1.31 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 1ssn h ASP 33 CO 0.58 1.26 0.00 -0.24 -1.03 0.00 0.00 179.24 179.80 1ssn n SER 34 N -4.21 0.00 -2.46 4.15 2.88 -1.26 -4.46 113.62 108.26 1ssn n SER 34 Ca -0.11 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.09 1ssn n SER 34 Cb 0.71 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.22 1ssn n SER 34 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1ssn n LYS 35 N 0.00 2.57 -2.35 -1.46 2.85 -1.26 -4.87 118.16 113.64 1ssn n LYS 35 Ca 0.00 -3.06 -0.09 0.00 -1.05 0.00 0.00 58.31 54.12 1ssn n LYS 35 Cb 0.00 -2.19 0.00 0.00 -0.65 0.00 0.00 35.03 32.20 1ssn n LYS 35 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ssn n GLY 36 N -0.50 0.10 3.26 2.58 0.00 -1.26 -4.99 105.19 104.38 1ssn n GLY 36 Ca 0.55 -0.48 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.74 6.32 -0.27 1.61 0.01 -1.26 -4.94 114.94 113.67 1ssn s ASN 37 Ca 0.06 -2.69 -0.28 0.00 -0.71 0.00 0.00 52.86 49.24 1ssn s ASN 37 Cb -0.02 -2.11 -0.04 0.00 0.41 0.00 0.00 41.25 39.48 1ssn s ASN 37 CO 0.07 -0.53 2.08 -0.70 -1.51 0.00 0.00 177.10 176.51 1ssn s GLU 38 N 0.18 3.15 -0.10 -0.60 2.12 -1.26 -2.35 118.70 119.84 1ssn s GLU 38 Ca 0.17 1.79 -0.19 0.00 0.36 0.00 0.00 54.97 57.09 1ssn s GLU 38 Cb -0.14 -4.32 -0.16 0.00 0.26 0.00 0.00 34.13 29.77 1ssn s GLU 38 CO -0.07 -2.08 0.63 -0.07 -0.54 0.00 0.00 175.26 173.13 1ssn h LEU 39 N 14.81 -0.05 0.00 2.70 4.07 -1.75 -3.48 115.31 131.60 1ssn h LEU 39 Ca -0.38 -0.54 0.00 0.00 0.08 0.00 0.00 57.88 57.04 1ssn h LEU 39 Cb 1.22 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.97 1ssn h LEU 39 CO 0.99 0.67 0.00 0.18 -1.08 0.00 0.00 178.44 179.20 1ssn n LEU 40 N -4.75 0.00 -3.30 1.67 4.77 -1.26 -4.96 117.00 109.17 1ssn n LEU 40 Ca -0.07 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.65 1ssn n LEU 40 Cb 0.29 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.31 1ssn n LEU 40 CO 0.23 -0.47 -0.03 -1.20 -1.33 0.00 0.00 177.39 174.59 1ssn n SER 41 N -2.83 2.72 -4.73 -1.43 7.64 -1.25 -4.94 113.62 108.80 1ssn n SER 41 Ca 0.00 -3.24 -0.30 0.00 1.01 0.00 0.00 58.87 56.34 1ssn n SER 41 Cb 0.00 -0.65 0.13 0.00 -1.01 0.00 0.00 64.21 62.68 1ssn n SER 41 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1ssn s PRO 42 N -2.23 1.44 -0.02 1.43 0.04 -1.26 -3.95 135.00 130.45 1ssn s PRO 42 Ca 0.40 0.86 -0.01 0.00 0.04 0.00 0.00 61.00 62.29 1ssn s PRO 42 Cb 0.18 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.89 1ssn s PRO 42 CO -0.05 -2.12 0.03 0.72 0.04 0.00 0.00 177.00 175.61 1ssn n HIS 43 N -3.81 -0.16 0.00 0.56 8.25 -1.26 -4.69 115.22 114.11 1ssn n HIS 43 Ca 0.07 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1ssn n HIS 43 Cb 0.55 -1.62 0.00 0.00 1.12 0.00 0.00 29.99 30.04 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 -0.46 -0.79 -2.54 4.41 4.11 -1.26 -3.66 117.16 116.98 1ssn n TYR 44 Ca 0.01 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.47 1ssn n TYR 44 Cb 0.02 0.43 0.00 0.00 -0.00 0.00 0.00 39.34 39.79 1ssn n TYR 44 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.86 178.19 1ssn n VAL 45 N -2.36 4.01 -0.02 -3.48 0.24 -1.26 -1.71 118.33 113.75 1ssn n VAL 45 Ca 0.00 -4.16 -0.13 0.00 -2.04 0.00 0.00 64.34 58.01 1ssn n VAL 45 Cb 0.00 -2.42 -0.01 0.00 -1.47 0.00 0.00 33.84 29.94 1ssn n VAL 45 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1ssn h GLU 46 N 7.02 0.69 -2.88 7.34 4.11 -1.92 -3.28 114.58 125.65 1ssn h GLU 46 Ca 0.42 -0.49 0.12 0.00 0.07 0.00 0.00 59.36 59.48 1ssn h GLU 46 Cb 0.81 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.07 1ssn h GLU 46 CO 1.48 1.11 -0.87 1.19 0.07 0.00 0.00 179.01 181.98 1ssn n PHE 47 N -3.95 -3.26 -2.83 2.06 3.72 -1.26 -2.07 117.46 109.88 1ssn n PHE 47 Ca -0.05 1.78 -0.41 0.00 -0.05 0.00 0.00 57.45 58.73 1ssn n PHE 47 Cb 0.67 -2.89 -0.05 0.00 -0.94 0.00 0.00 39.48 36.27 1ssn n PHE 47 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1ssn s PRO 48 N -4.67 4.62 0.50 -1.08 0.04 -1.26 -2.92 135.00 130.23 1ssn s PRO 48 Ca 0.00 1.30 -0.21 0.00 0.04 0.00 0.00 61.00 62.13 1ssn s PRO 48 Cb 0.00 -3.37 -0.07 0.00 0.04 0.00 0.00 34.50 31.10 1ssn s PRO 48 CO 0.00 0.24 1.13 -1.50 0.04 0.00 0.00 177.00 176.91 1ssn s ILE 49 N -0.02 3.23 -0.22 0.56 2.07 -1.26 -4.70 121.20 120.87 1ssn s ILE 49 Ca 0.44 0.83 -0.03 0.00 -1.41 0.00 0.00 60.65 60.48 1ssn s ILE 49 Cb -0.22 -3.37 0.07 0.00 0.13 0.00 0.00 42.46 39.07 1ssn s ILE 49 CO 0.27 -0.11 0.06 -0.75 -1.91 0.00 0.00 174.94 172.50 1ssn s LYS 50 N -3.04 0.57 0.67 3.50 2.36 -1.26 -4.98 119.74 117.57 1ssn s LYS 50 Ca 0.68 -0.51 -0.11 0.00 -2.55 0.00 0.00 55.97 53.48 1ssn s LYS 50 Cb -0.25 -1.98 -0.01 0.00 -1.05 0.00 0.00 37.83 34.55 1ssn s LYS 50 CO 0.29 -0.74 1.06 -1.25 1.55 0.00 0.00 175.35 176.26 1ssn s PRO 51 N 1.86 3.14 0.00 4.03 0.04 -1.26 -4.55 135.00 138.26 1ssn s PRO 51 Ca 0.02 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.76 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 -0.14 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.42 1ssn n GLY 52 N -2.62 0.74 3.32 0.56 0.00 -0.79 -5.03 105.19 101.36 1ssn n GLY 52 Ca 0.07 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 1ssn n GLY 52 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ssn s THR 53 N -2.88 0.01 0.02 2.61 -1.32 -1.26 -4.93 115.64 107.89 1ssn s THR 53 Ca 0.00 -0.11 -0.30 0.00 -1.21 0.00 0.00 61.69 60.07 1ssn s THR 53 Cb 0.00 -0.63 -0.08 0.00 -1.51 0.00 0.00 72.50 70.28 1ssn s THR 53 CO 0.00 -0.06 1.83 -0.89 -2.21 0.00 0.00 174.62 173.29 1ssn s THR 54 N -0.23 3.15 -0.64 5.08 2.01 -1.26 -1.48 115.64 122.27 1ssn s THR 54 Ca -0.04 0.28 0.05 0.00 0.31 0.00 0.00 61.69 62.30 1ssn s THR 54 Cb -0.03 -3.18 0.18 0.00 0.01 0.00 0.00 72.50 69.48 1ssn s THR 54 CO 0.02 -0.02 0.50 -0.11 -0.69 0.00 0.00 174.62 174.32 1ssn n LEU 55 N 7.03 2.46 -4.73 4.42 -0.00 -0.51 -4.90 117.00 120.78 1ssn n LEU 55 Ca 0.18 -5.09 -0.27 0.00 -0.00 0.00 0.00 56.01 50.83 1ssn n LEU 55 Cb 0.41 -0.50 -0.08 0.00 -0.00 0.00 0.00 43.42 43.26 1ssn n LEU 55 CO 0.65 1.82 -0.19 0.42 -0.00 0.00 0.00 177.39 180.10 1ssn s THR 56 N -1.33 1.99 0.11 1.96 -4.23 -1.26 -3.82 115.64 109.06 1ssn s THR 56 Ca 0.28 -1.80 -0.21 0.00 -1.18 0.00 0.00 61.69 58.78 1ssn s THR 56 Cb -0.00 -2.79 -0.08 0.00 1.34 0.00 0.00 72.50 70.97 1ssn s THR 56 CO -0.16 0.00 1.72 0.50 -0.54 0.00 0.00 174.62 176.15 1ssn h LYS 57 N 1.44 0.03 0.00 3.99 3.11 -1.62 -2.73 116.57 120.79 1ssn h LYS 57 Ca -0.43 -0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.36 1ssn h LYS 57 Cb 1.26 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.48 1ssn h LYS 57 CO 0.72 0.02 -0.23 1.05 -2.81 0.00 0.00 179.45 178.20 1ssn h GLU 58 N 0.03 0.00 0.00 1.90 -0.00 -1.86 -1.22 114.58 113.43 1ssn h GLU 58 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.42 1ssn h GLU 58 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.83 1ssn h GLU 58 CO -0.11 0.23 0.00 1.63 -0.00 0.00 0.00 179.01 180.76 1ssn n LYS 59 N -4.12 0.72 -0.14 1.06 4.76 -1.03 -2.95 118.16 116.46 1ssn n LYS 59 Ca -0.02 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.13 1ssn n LYS 59 Cb 0.29 -1.30 -0.10 0.00 -1.84 0.00 0.00 35.03 32.08 1ssn n LYS 59 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1ssn n ILE 60 N -0.80 1.50 -0.13 -0.18 2.08 -0.47 -4.45 119.36 116.92 1ssn n ILE 60 Ca 0.10 -0.39 -0.07 0.00 0.56 0.00 0.00 62.75 62.95 1ssn n ILE 60 Cb 0.05 -1.85 -0.05 0.00 -0.75 0.00 0.00 39.64 37.03 1ssn n ILE 60 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1ssn h GLU 61 N -0.93 -0.13 0.00 0.38 5.08 -1.42 -1.11 114.58 116.45 1ssn h GLU 61 Ca -0.69 0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 57.48 1ssn h GLU 61 Cb 1.62 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.87 1ssn h GLU 61 CO -0.41 -0.09 -1.02 0.10 -1.00 0.00 0.00 179.01 176.60 1ssn h TYR 62 N -0.13 0.00 -0.06 4.33 -0.00 -1.89 -3.30 116.97 115.92 1ssn h TYR 62 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.78 1ssn h TYR 62 Cb 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.00 1ssn h TYR 62 CO -0.78 0.87 0.04 -0.92 -0.00 0.00 0.00 178.16 177.36 1ssn h TYR 63 N 0.00 0.08 -0.47 0.10 3.20 -1.65 -1.56 116.97 116.67 1ssn h TYR 63 Ca -0.06 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.71 1ssn h TYR 63 Cb 1.71 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.94 1ssn h TYR 63 CO 0.00 0.06 -0.12 -0.39 -1.64 0.00 0.00 178.16 176.06 1ssn h VAL 64 N 0.07 1.26 -0.93 1.81 -1.51 -1.38 -2.46 116.25 113.12 1ssn h VAL 64 Ca 0.02 -1.23 0.01 0.00 -1.23 0.00 0.00 66.70 64.27 1ssn h VAL 64 Cb 0.00 1.04 -0.05 0.00 -2.13 0.00 0.00 31.29 30.15 1ssn h VAL 64 CO -0.00 0.42 0.62 -0.08 -1.23 0.00 0.00 177.57 177.30 1ssn h GLU 65 N 0.78 1.22 -0.20 5.19 4.81 -1.55 -1.37 114.58 123.45 1ssn h GLU 65 Ca 0.12 -0.07 -0.19 0.00 -0.13 0.00 0.00 59.36 59.09 1ssn h GLU 65 Cb 0.64 -0.28 0.01 0.00 0.63 0.00 0.00 28.75 29.75 1ssn h GLU 65 CO 0.04 0.81 -0.62 -1.49 -0.73 0.00 0.00 179.01 177.02 1ssn h TRP 66 N 1.26 1.01 -0.73 0.92 -0.00 -1.21 -1.30 115.95 115.90 1ssn h TRP 66 Ca 0.34 -0.41 0.01 0.00 -0.00 0.00 0.00 58.89 58.83 1ssn h TRP 66 Cb -0.13 -0.17 -0.04 0.00 -0.00 0.00 0.00 29.16 28.82 1ssn h TRP 66 CO -0.00 1.23 0.48 0.00 -0.00 0.00 0.00 178.44 180.15 1ssn h ALA 67 N 0.59 0.93 0.00 1.49 0.00 -1.02 -2.96 119.26 118.30 1ssn h ALA 67 Ca -0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1ssn h ALA 67 Cb 1.24 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1ssn h ALA 67 CO 0.13 0.35 -0.79 1.37 0.00 0.00 0.00 179.25 180.31 1ssn h LEU 68 N 0.99 0.00 -0.83 0.00 8.10 -1.31 -3.29 115.31 118.97 1ssn h LEU 68 Ca 0.27 0.00 0.01 0.00 0.11 0.00 0.00 57.88 58.27 1ssn h LEU 68 Cb -0.11 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.06 1ssn h LEU 68 CO -0.06 0.24 0.55 -0.78 -4.11 0.00 0.00 178.44 174.28 1ssn h ASP 69 N 0.00 0.94 -0.37 0.17 3.58 -1.10 -2.62 116.42 117.03 1ssn h ASP 69 Ca -0.04 -0.02 0.07 0.00 0.42 0.00 0.00 57.03 57.46 1ssn h ASP 69 Cb 1.22 -0.23 -0.07 0.00 1.72 0.00 0.00 39.33 41.97 1ssn h ASP 69 CO 0.02 0.67 -0.08 0.00 -2.88 0.00 0.00 179.24 176.98 1ssn h ALA 70 N 1.31 0.26 0.00 -0.78 0.00 -1.59 -2.42 119.26 116.05 1ssn h ALA 70 Ca 0.31 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1ssn h ALA 70 Cb -0.10 0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ssn h ALA 70 CO -0.08 -0.45 -0.14 1.79 0.00 0.00 0.00 179.25 180.37 1ssn h THR 71 N 0.01 0.00 0.19 0.00 1.35 -1.72 -3.42 112.91 109.32 1ssn h THR 71 Ca 0.18 -0.80 -0.01 0.00 -0.55 0.00 0.00 66.41 65.23 1ssn h THR 71 Cb 0.27 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.69 1ssn h THR 71 CO -0.37 0.00 -0.09 0.00 -0.25 0.00 0.00 175.52 174.81 1ssn h ALA 72 N -1.20 -0.92 -1.65 6.62 0.00 -1.59 -3.42 119.26 117.10 1ssn h ALA 72 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ssn h ALA 72 Cb 0.14 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ssn h ALA 72 CO 0.00 -0.90 -0.43 0.98 0.00 0.00 0.00 179.25 178.91 1ssn n TYR 73 N -2.76 -1.90 0.00 0.00 9.36 -0.91 -3.42 117.16 117.53 1ssn n TYR 73 Ca -0.03 1.03 0.00 0.00 3.32 0.00 0.00 57.90 62.22 1ssn n TYR 73 Cb 0.10 -1.89 0.00 0.00 -0.63 0.00 0.00 39.34 36.92 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 -1.93 0.00 -2.19 2.98 5.02 -1.26 -1.72 118.16 119.06 1ssn n LYS 74 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1ssn n LYS 74 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.21 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 0.00 3.23 -3.58 1.97 4.71 -1.26 -4.81 120.64 120.90 1ssn n GLU 75 Ca 0.00 -3.16 -0.11 0.00 -0.01 0.00 0.00 57.16 53.88 1ssn n GLU 75 Cb 0.00 -3.16 -0.06 0.00 -1.01 0.00 0.00 31.44 27.22 1ssn n GLU 75 CO 0.00 0.00 0.00 -0.59 0.09 0.00 0.00 177.13 176.63 1ssn s PHE 76 N 2.11 -0.42 0.02 -0.32 -0.71 -1.26 -2.23 117.98 115.17 1ssn s PHE 76 Ca 0.45 0.79 -0.05 0.00 -1.04 0.00 0.00 56.93 57.08 1ssn s PHE 76 Cb 0.09 0.43 -0.02 0.00 -1.21 0.00 0.00 43.02 42.31 1ssn s PHE 76 CO -0.02 -0.35 -0.10 -2.13 -1.34 0.00 0.00 175.22 171.28 1ssn n ARG 77 N 1.05 0.16 -2.04 1.99 3.00 -0.70 -4.72 116.66 115.40 1ssn n ARG 77 Ca -0.12 0.06 -0.03 0.00 -0.00 0.00 0.00 57.85 57.77 1ssn n ARG 77 Cb 0.57 -0.77 0.00 0.00 0.00 0.00 0.00 32.46 32.26 1ssn n ARG 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1ssn n VAL 78 N -3.78 -5.86 0.19 5.15 0.31 -1.26 -4.97 118.33 108.11 1ssn n VAL 78 Ca -0.04 0.46 -0.12 0.00 -0.01 0.00 0.00 64.34 64.64 1ssn n VAL 78 Cb 0.15 -5.33 -0.07 0.00 -0.91 0.00 0.00 33.84 27.68 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 0.93 0.37 -3.29 2.52 2.07 -1.30 -3.48 116.25 114.06 1ssn h VAL 79 Ca 0.00 -0.64 -0.41 0.00 0.82 0.00 0.00 66.70 66.47 1ssn h VAL 79 Cb 0.32 0.57 -0.14 0.00 -1.52 0.00 0.00 31.29 30.51 1ssn h VAL 79 CO 0.07 0.08 -0.62 -1.61 0.02 0.00 0.00 177.57 175.51 1ssn s GLU 80 N -4.02 1.52 0.07 1.57 2.02 -1.21 -5.02 118.70 113.62 1ssn s GLU 80 Ca -0.12 -1.83 -0.18 0.00 0.02 0.00 0.00 54.97 52.87 1ssn s GLU 80 Cb 0.01 -0.58 0.04 0.00 0.10 0.00 0.00 34.13 33.70 1ssn s GLU 80 CO 0.41 -0.22 0.42 -0.48 0.02 0.00 0.00 175.26 175.41 1ssn s LEU 81 N -3.39 0.35 0.08 1.80 0.05 -1.26 -1.65 118.68 114.65 1ssn s LEU 81 Ca 0.36 -0.08 -0.22 0.00 0.05 0.00 0.00 54.13 54.24 1ssn s LEU 81 Cb 0.08 1.82 -0.07 0.00 -2.05 0.00 0.00 46.19 45.97 1ssn s LEU 81 CO 0.14 -0.73 0.65 1.51 -0.55 0.00 0.00 176.35 177.37 1ssn s ASP 82 N -2.25 7.15 0.41 1.48 -4.77 -1.25 -4.98 116.67 112.45 1ssn s ASP 82 Ca -0.03 1.36 0.28 0.00 -3.30 0.00 0.00 52.55 50.87 1ssn s ASP 82 Cb 0.00 -2.41 1.02 0.00 -1.09 0.00 0.00 42.92 40.44 1ssn s ASP 82 CO -0.05 0.19 1.82 1.55 0.70 0.00 0.00 175.17 179.38 1ssn h PRO 83 N 4.85 0.00 -0.27 2.11 0.13 -1.99 -3.19 132.00 133.64 1ssn h PRO 83 Ca -0.47 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 1ssn h PRO 83 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1ssn h PRO 83 CO 0.66 0.00 0.18 0.77 -0.23 0.00 0.00 178.00 179.38 1ssn h SER 84 N 0.00 0.21 -2.89 1.44 0.02 -1.94 -3.44 113.55 106.95 1ssn h SER 84 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ssn h SER 84 Cb 0.59 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1ssn h SER 84 CO 0.00 0.15 0.00 0.00 -1.14 0.00 0.00 176.83 175.84 1ssn n ALA 85 N -2.52 -0.78 -2.65 3.77 0.00 -1.21 -3.36 120.51 113.75 1ssn n ALA 85 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 1ssn n ALA 85 Cb 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 1ssn n ALA 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ssn s LYS 86 N -0.88 4.50 -0.13 0.00 -2.85 -0.80 -4.48 119.74 115.09 1ssn s LYS 86 Ca 0.00 1.48 -0.29 0.00 -1.00 0.00 0.00 55.97 56.15 1ssn s LYS 86 Cb 0.00 -3.47 -0.01 0.00 -2.06 0.00 0.00 37.83 32.30 1ssn s LYS 86 CO 0.00 -0.16 1.02 0.42 0.10 0.00 0.00 175.35 176.74 1ssn s ILE 87 N 1.30 4.73 -0.49 3.79 1.09 -0.12 -2.95 121.20 128.54 1ssn s ILE 87 Ca 0.52 2.02 0.03 0.00 -1.10 0.00 0.00 60.65 62.13 1ssn s ILE 87 Cb -0.22 -4.30 0.13 0.00 -1.06 0.00 0.00 42.46 37.01 1ssn s ILE 87 CO 0.26 -0.04 0.25 -1.61 -0.10 0.00 0.00 174.94 173.69 1ssn s GLU 88 N 2.33 1.78 -0.94 2.79 2.02 -0.90 -1.95 118.70 123.82 1ssn s GLU 88 Ca 0.48 -2.44 -0.24 0.00 0.02 0.00 0.00 54.97 52.78 1ssn s GLU 88 Cb -0.18 -3.06 0.04 0.00 0.10 0.00 0.00 34.13 31.03 1ssn s GLU 88 CO 0.15 -1.12 1.47 0.14 0.02 0.00 0.00 175.26 175.93 1ssn s VAL 89 N -0.09 3.82 -0.84 2.63 -7.23 -1.21 -2.62 120.40 114.86 1ssn s VAL 89 Ca 0.17 -0.47 -0.22 0.00 -1.81 0.00 0.00 61.98 59.65 1ssn s VAL 89 Cb -0.25 -4.91 0.08 0.00 0.56 0.00 0.00 36.38 31.86 1ssn s VAL 89 CO -0.00 -1.81 1.18 -0.89 -0.31 0.00 0.00 175.10 173.27 1ssn s THR 90 N 5.70 4.27 -1.07 5.32 2.01 -0.64 -3.42 115.64 127.81 1ssn s THR 90 Ca 0.47 -0.74 -0.14 0.00 0.31 0.00 0.00 61.69 61.58 1ssn s THR 90 Cb -0.02 -4.84 0.19 0.00 0.01 0.00 0.00 72.50 67.83 1ssn s THR 90 CO -0.04 -1.65 1.21 -0.72 -0.69 0.00 0.00 174.62 172.74 1ssn s TYR 91 N 4.07 3.57 -0.93 4.92 1.13 -1.21 -1.59 117.35 127.31 1ssn s TYR 91 Ca 0.33 -2.01 -0.24 0.00 -1.41 0.00 0.00 57.07 53.73 1ssn s TYR 91 Cb -0.08 -4.16 0.01 0.00 -1.10 0.00 0.00 41.96 36.64 1ssn s TYR 91 CO -0.00 -1.29 1.61 1.52 -2.51 0.00 0.00 175.55 174.88 1ssn s TYR 92 N 1.20 2.22 -0.49 -3.49 1.13 -1.25 -3.43 117.35 113.23 1ssn s TYR 92 Ca 0.35 -0.19 0.05 0.00 -1.41 0.00 0.00 57.07 55.87 1ssn s TYR 92 Cb -0.06 -4.45 0.18 0.00 -1.10 0.00 0.00 41.96 36.54 1ssn s TYR 92 CO -0.05 -1.92 0.41 -0.25 -2.51 0.00 0.00 175.55 171.23 1ssn n ASP 93 N 10.79 0.60 -4.57 -0.18 9.92 -1.26 -4.09 116.55 127.76 1ssn n ASP 93 Ca 0.31 -2.65 -0.36 0.00 -0.53 0.00 0.00 54.79 51.56 1ssn n ASP 93 Cb 0.50 -0.61 -0.03 0.00 -0.64 0.00 0.00 41.12 40.33 1ssn n ASP 93 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1ssn s LYS 94 N -0.51 3.29 0.00 -1.24 2.20 -1.26 -0.99 119.74 121.23 1ssn s LYS 94 Ca 0.31 -1.36 0.00 0.00 -0.36 0.00 0.00 55.97 54.56 1ssn s LYS 94 Cb 0.03 -5.36 0.00 0.00 -1.51 0.00 0.00 37.83 31.00 1ssn s LYS 94 CO -0.18 -2.90 0.00 0.27 -0.36 0.00 0.00 175.35 172.18 1ssn n ASN 95 N 10.97 0.00 0.00 1.43 0.23 -1.26 -4.77 115.26 121.86 1ssn n ASN 95 Ca 0.44 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.49 1ssn n ASN 95 Cb 0.47 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 1ssn n ASN 95 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1ssn n LYS 96 N -1.29 0.00 -0.03 -3.83 2.85 -1.25 -5.02 118.16 109.60 1ssn n LYS 96 Ca 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1ssn n LYS 96 Cb 0.00 -0.11 -0.00 0.00 -0.65 0.00 0.00 35.03 34.26 1ssn n LYS 96 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1ssn h LYS 97 N 0.00 -0.01 -1.14 -1.58 1.63 -1.87 -3.51 116.57 110.09 1ssn h LYS 97 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ssn h LYS 97 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1ssn h LYS 97 CO 0.00 -0.00 -0.18 1.17 -3.45 0.00 0.00 179.45 176.99 1ssn n LYS 98 N -3.90 -1.00 0.00 1.90 0.00 -0.16 -4.91 118.16 110.10 1ssn n LYS 98 Ca -0.00 0.90 0.00 0.00 0.00 0.00 0.00 58.31 59.20 1ssn n LYS 98 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 35.03 34.26 1ssn n LYS 98 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1ssn n GLU 99 N -0.01 0.00 -3.70 1.64 2.13 -1.22 -4.78 120.64 114.69 1ssn n GLU 99 Ca 0.00 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.64 1ssn n GLU 99 Cb 0.00 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 31.54 1ssn n GLU 99 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1ssn s GLU 100 N 0.00 -0.04 -0.47 5.31 -6.30 -1.24 -4.96 118.70 111.00 1ssn s GLU 100 Ca 0.00 0.36 -0.13 0.00 -2.50 0.00 0.00 54.97 52.70 1ssn s GLU 100 Cb 0.00 -0.38 0.09 0.00 0.00 0.00 0.00 34.13 33.84 1ssn s GLU 100 CO 0.00 -0.27 0.37 0.99 0.02 0.00 0.00 175.26 176.37 1ssn s THR 101 N 1.84 4.88 -0.50 -1.70 2.01 -1.26 -3.28 115.64 117.63 1ssn s THR 101 Ca 0.00 -1.28 -0.29 0.00 0.31 0.00 0.00 61.69 60.44 1ssn s THR 101 Cb -0.12 -3.99 0.03 0.00 0.01 0.00 0.00 72.50 68.43 1ssn s THR 101 CO -0.04 -0.62 1.16 -0.75 -0.69 0.00 0.00 174.62 173.68 1ssn s LYS 102 N 1.56 3.67 -1.25 4.92 2.47 -1.22 -4.91 119.74 124.98 1ssn s LYS 102 Ca 0.04 0.50 -0.12 0.00 -1.56 0.00 0.00 55.97 54.83 1ssn s LYS 102 Cb -0.25 -3.94 0.17 0.00 -1.46 0.00 0.00 37.83 32.35 1ssn s LYS 102 CO 0.04 -1.46 1.66 -1.13 0.16 0.00 0.00 175.35 174.62 1ssn n SER 103 N 8.02 5.14 -4.78 1.43 3.41 -1.26 -3.29 113.62 122.29 1ssn n SER 103 Ca 0.11 -3.04 -0.38 0.00 -0.26 0.00 0.00 58.87 55.30 1ssn n SER 103 Cb 0.49 -1.53 -0.06 0.00 -0.26 0.00 0.00 64.21 62.85 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 1.06 3.80 0.00 7.33 5.36 -0.82 -4.94 117.98 129.76 1ssn s PHE 104 Ca 0.42 1.76 0.00 0.00 -0.96 0.00 0.00 56.93 58.14 1ssn s PHE 104 Cb 0.03 -2.88 0.00 0.00 -0.34 0.00 0.00 43.02 39.83 1ssn s PHE 104 CO 0.00 0.34 0.00 -0.35 -1.46 0.00 0.00 175.22 173.75 1ssn n PRO 105 N 0.98 0.00 -3.51 10.12 -0.04 -1.26 -0.95 135.00 140.34 1ssn n PRO 105 Ca -0.01 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.37 1ssn n PRO 105 Cb 0.49 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.93 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 0.05 0.52 1.10 -1.21 -3.45 121.20 118.21 1ssn s ILE 106 Ca 0.00 0.00 0.02 0.00 -0.51 0.00 0.00 60.65 60.16 1ssn s ILE 106 Cb 0.00 -1.00 -0.03 0.00 0.15 0.00 0.00 42.46 41.58 1ssn s ILE 106 CO 0.00 0.00 -0.07 0.42 -2.11 0.00 0.00 174.94 173.18 1ssn s THR 107 N -3.09 0.52 -0.86 4.00 -4.23 -1.26 -4.88 115.64 105.85 1ssn s THR 107 Ca 0.05 -1.22 0.16 0.00 -1.18 0.00 0.00 61.69 59.50 1ssn s THR 107 Cb -0.01 -0.78 0.15 0.00 1.34 0.00 0.00 72.50 73.20 1ssn s THR 107 CO -0.09 -0.49 1.51 -1.84 -0.54 0.00 0.00 174.62 173.18 1ssn n GLU 108 N 1.19 0.05 -3.10 3.99 0.28 -1.26 -1.90 120.64 119.89 1ssn n GLU 108 Ca -0.21 0.31 -0.16 0.00 -0.16 0.00 0.00 57.16 56.94 1ssn n GLU 108 Cb 0.56 -1.60 -0.01 0.00 1.43 0.00 0.00 31.44 31.81 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 -1.70 0.99 0.00 3.44 4.81 -1.26 -4.54 118.16 119.90 1ssn n LYS 109 Ca 0.03 -3.22 0.00 0.00 -0.87 0.00 0.00 58.31 54.25 1ssn n LYS 109 Cb 0.18 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.63 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 0.25 1.33 3.46 3.14 0.00 -1.15 -5.11 105.19 107.12 1ssn n GLY 110 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 1ssn n GLY 110 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ssn s PHE 111 N 0.00 -0.45 0.13 1.61 -0.12 -1.25 -5.08 117.98 112.82 1ssn s PHE 111 Ca 0.00 0.28 -0.13 0.00 -0.05 0.00 0.00 56.93 57.03 1ssn s PHE 111 Cb 0.00 0.55 -0.07 0.00 -0.63 0.00 0.00 43.02 42.87 1ssn s PHE 111 CO 0.00 -0.70 0.52 0.08 -0.05 0.00 0.00 175.22 175.07 1ssn s VAL 112 N -3.40 4.90 -0.10 -2.49 1.01 -1.26 -1.43 120.40 117.64 1ssn s VAL 112 Ca 0.03 0.76 -0.32 0.00 0.00 0.00 0.00 61.98 62.45 1ssn s VAL 112 Cb -0.01 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 1ssn s VAL 112 CO -0.11 0.26 2.01 0.52 0.00 0.00 0.00 175.10 177.78 1ssn n VAL 113 N 0.85 0.57 0.00 2.92 0.31 -0.55 -4.88 118.33 117.54 1ssn n VAL 113 Ca -0.06 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 1ssn n VAL 113 Cb 0.52 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.31 1ssn n VAL 113 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1ssn n PRO 114 N 7.50 0.00 0.00 5.55 -0.04 -1.26 -1.88 135.00 144.87 1ssn n PRO 114 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1ssn n PRO 114 Cb 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 1ssn n PRO 114 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ssn n ASP 115 N 0.00 3.05 -4.05 3.54 2.03 -1.26 -4.28 116.55 115.57 1ssn n ASP 115 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 1ssn n ASP 115 Cb 0.00 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 1ssn n ASP 115 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ssn s LEU 116 N 0.00 2.29 0.00 -2.67 1.02 -1.26 -5.10 118.68 112.96 1ssn s LEU 116 Ca 0.00 -0.61 0.00 0.00 0.02 0.00 0.00 54.13 53.54 1ssn s LEU 116 Cb 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 46.19 46.15 1ssn s LEU 116 CO 0.00 -0.28 0.14 -0.24 0.02 0.00 0.00 176.35 175.99 1ssn n SER 117 N 1.28 0.00 0.00 2.29 2.88 -1.26 -5.01 113.62 113.79 1ssn n SER 117 Ca -0.22 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1ssn n SER 117 Cb 0.56 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 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 -1.84 0.00 -0.33 -1.46 0.00 -1.26 -5.03 120.64 110.71 1ssn n GLU 118 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 57.16 57.33 1ssn n GLU 118 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 31.44 31.77 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 -1.84 0.70 -4.21 4.31 1.44 -1.26 -4.60 115.22 109.75 1ssn n HIS 119 Ca 0.00 1.17 -0.12 0.00 -2.01 0.00 0.00 57.72 56.75 1ssn n HIS 119 Cb 0.00 -1.28 -0.10 0.00 0.12 0.00 0.00 29.99 28.73 1ssn n HIS 119 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1ssn s ILE 120 N -5.89 0.82 -0.03 0.61 -5.25 -1.26 -4.80 121.20 105.40 1ssn s ILE 120 Ca -0.12 -1.98 -0.02 0.00 -0.99 0.00 0.00 60.65 57.54 1ssn s ILE 120 Cb 0.29 -1.84 -0.01 0.00 2.95 0.00 0.00 42.46 43.85 1ssn s ILE 120 CO 0.76 -0.74 -0.04 1.17 -1.79 0.00 0.00 174.94 174.31 1ssn n LYS 121 N -0.14 0.08 -3.63 0.37 4.81 -1.26 -4.89 118.16 113.51 1ssn n LYS 121 Ca -0.10 0.27 -0.40 0.00 -0.87 0.00 0.00 58.31 57.21 1ssn n LYS 121 Cb 0.61 -0.89 -0.10 0.00 0.02 0.00 0.00 35.03 34.67 1ssn n LYS 121 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1ssn s ASN 122 N -3.96 5.57 1.09 3.14 6.03 -1.26 -5.01 114.94 120.53 1ssn s ASN 122 Ca -0.03 -1.66 -0.14 0.00 -1.03 0.00 0.00 52.86 50.00 1ssn s ASN 122 Cb 0.00 -1.96 0.20 0.00 -3.03 0.00 0.00 41.25 36.47 1ssn s ASN 122 CO 0.04 -0.56 0.96 -0.81 -2.03 0.00 0.00 177.10 174.70 1ssn n PRO 123 N 4.86 -1.77 -2.89 3.55 -0.04 -1.26 -3.91 135.00 133.53 1ssn n PRO 123 Ca -0.09 -1.50 -0.13 0.00 -0.04 0.00 0.00 63.50 61.74 1ssn n PRO 123 Cb 0.42 -1.17 0.02 0.00 -0.04 0.00 0.00 33.50 32.73 1ssn n PRO 123 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ssn n GLY 124 N -2.44 1.10 3.69 0.55 0.00 -0.62 -3.53 105.19 103.94 1ssn n GLY 124 Ca 0.13 -0.45 -0.44 0.00 0.00 0.00 0.00 46.02 45.25 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 1.32 2.52 -3.83 1.61 3.01 -1.07 -1.62 117.46 119.41 1ssn n PHE 125 Ca 0.13 0.12 -0.27 0.00 1.01 0.00 0.00 57.45 58.44 1ssn n PHE 125 Cb 0.61 -2.62 -0.17 0.00 -0.01 0.00 0.00 39.48 37.29 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 1.34 2.45 -1.37 4.37 0.01 -1.08 -1.35 114.94 119.30 1ssn s ASN 126 Ca 0.78 -0.50 -0.06 0.00 -0.71 0.00 0.00 52.86 52.37 1ssn s ASN 126 Cb -0.59 -0.72 0.09 0.00 0.41 0.00 0.00 41.25 40.44 1ssn s ASN 126 CO 0.36 -0.20 2.48 0.18 -1.51 0.00 0.00 177.10 178.40 1ssn n LEU 127 N 4.99 8.17 -4.71 0.60 7.99 -0.71 -2.11 117.00 131.20 1ssn n LEU 127 Ca -0.10 -4.80 -0.42 0.00 -0.01 0.00 0.00 56.01 50.68 1ssn n LEU 127 Cb 0.48 -1.40 -0.03 0.00 -0.11 0.00 0.00 43.42 42.37 1ssn n LEU 127 CO 0.14 2.06 0.72 -0.63 -1.51 0.00 0.00 177.39 178.17 1ssn s ILE 128 N -0.58 4.61 -0.05 -0.08 1.01 -1.15 -4.28 121.20 120.67 1ssn s ILE 128 Ca 0.57 1.92 -0.05 0.00 0.00 0.00 0.00 60.65 63.09 1ssn s ILE 128 Cb 0.18 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 38.44 1ssn s ILE 128 CO -0.09 0.18 0.14 -0.89 0.00 0.00 0.00 174.94 174.28 1ssn s THR 129 N 0.82 -0.00 -0.85 2.92 2.01 -1.26 -1.91 115.64 117.37 1ssn s THR 129 Ca 0.52 0.01 -0.21 0.00 0.31 0.00 0.00 61.69 62.33 1ssn s THR 129 Cb -0.23 -0.20 0.10 0.00 0.01 0.00 0.00 72.50 72.17 1ssn s THR 129 CO 0.29 0.01 1.11 -0.75 -0.69 0.00 0.00 174.62 174.59 1ssn s LYS 130 N 0.16 3.43 -0.11 4.92 2.36 -1.26 -0.96 119.74 128.28 1ssn s LYS 130 Ca -0.01 -1.35 -0.04 0.00 -2.55 0.00 0.00 55.97 52.02 1ssn s LYS 130 Cb -0.02 -4.73 -0.04 0.00 -1.05 0.00 0.00 37.83 32.00 1ssn s LYS 130 CO -0.00 -1.85 0.04 0.14 1.55 0.00 0.00 175.35 175.24 1ssn s VAL 131 N 3.47 4.68 -0.61 4.02 -7.23 -0.72 -3.85 120.40 120.16 1ssn s VAL 131 Ca 0.31 -0.10 -0.21 0.00 -1.81 0.00 0.00 61.98 60.17 1ssn s VAL 131 Cb -0.08 -3.01 0.08 0.00 0.56 0.00 0.00 36.38 33.93 1ssn s VAL 131 CO -0.03 0.59 0.81 -0.69 -0.31 0.00 0.00 175.10 175.47 1ssn s VAL 132 N -0.71 4.61 0.15 1.32 1.01 -0.66 -1.71 120.40 124.42 1ssn s VAL 132 Ca 0.12 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 1ssn s VAL 132 Cb -0.12 -4.56 -0.07 0.00 0.00 0.00 0.00 36.38 31.64 1ssn s VAL 132 CO 0.02 -1.23 0.53 -0.63 0.00 0.00 0.00 175.10 173.79 1ssn s ILE 133 N 3.27 4.91 -0.03 2.22 1.01 -0.73 -0.78 121.20 131.06 1ssn s ILE 133 Ca 0.17 0.71 -0.00 0.00 0.00 0.00 0.00 60.65 61.52 1ssn s ILE 133 Cb -0.21 -3.70 0.03 0.00 0.01 0.00 0.00 42.46 38.59 1ssn s ILE 133 CO 0.09 0.20 0.02 -0.70 0.00 0.00 0.00 174.94 174.54 1ssn s GLU 134 N -2.10 0.17 0.06 2.79 2.56 -1.26 -4.67 118.70 116.24 1ssn s GLU 134 Ca 0.39 0.17 -0.31 0.00 0.00 0.00 0.00 54.97 55.22 1ssn s GLU 134 Cb -0.14 -0.47 -0.08 0.00 2.00 0.00 0.00 34.13 35.44 1ssn s GLU 134 CO 0.19 -0.20 1.56 0.15 -0.56 0.00 0.00 175.26 176.40 1ssn s LYS 135 N 1.35 4.23 0.00 4.30 -0.14 -1.26 -1.72 119.74 126.50 1ssn s LYS 135 Ca -0.05 2.21 0.29 0.00 -1.36 0.00 0.00 55.97 57.06 1ssn s LYS 135 Cb -0.13 -3.54 1.72 0.00 -1.68 0.00 0.00 37.83 34.20 1ssn s LYS 135 CO -0.03 -0.66 2.06 1.63 -0.76 0.00 0.00 175.35 177.59