#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 1.02 0.18 -3.46 0.15 -1.26 -5.10 113.70 105.22 1ssn s SER 2 Ca 0.00 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.44 1ssn s SER 2 Cb 0.00 -1.14 -0.04 0.00 -1.71 0.00 0.00 66.02 63.13 1ssn s SER 2 CO 0.00 -4.08 0.05 -0.94 1.20 0.00 0.00 173.24 169.47 1ssn s SER 3 N -3.69 0.77 0.30 5.45 1.04 -1.26 -5.02 113.70 111.30 1ssn s SER 3 Ca 0.70 -1.25 -0.22 0.00 0.48 0.00 0.00 55.95 55.65 1ssn s SER 3 Cb -0.12 0.22 -0.09 0.00 0.10 0.00 0.00 66.02 66.12 1ssn s SER 3 CO 0.57 -0.69 0.85 0.72 0.98 0.00 0.00 173.24 175.67 1ssn s PHE 4 N -3.87 3.60 0.38 5.02 -0.71 -1.26 -4.14 117.98 117.00 1ssn s PHE 4 Ca 0.28 1.58 0.01 0.00 -1.04 0.00 0.00 56.93 57.77 1ssn s PHE 4 Cb 0.07 -2.78 -0.02 0.00 -1.21 0.00 0.00 43.02 39.09 1ssn s PHE 4 CO 0.06 0.20 0.57 0.34 -1.34 0.00 0.00 175.22 175.05 1ssn s ASP 5 N -1.76 6.09 -0.35 1.98 2.15 -1.26 -4.81 116.67 118.71 1ssn s ASP 5 Ca 0.50 0.29 -0.18 0.00 0.43 0.00 0.00 52.55 53.58 1ssn s ASP 5 Cb -0.16 -1.74 0.03 0.00 -0.30 0.00 0.00 42.92 40.75 1ssn s ASP 5 CO 0.21 -0.45 0.42 2.29 -0.17 0.00 0.00 175.17 177.47 1ssn n LYS 6 N -1.85 -2.11 -1.55 4.34 2.85 -1.26 -4.80 118.16 113.78 1ssn n LYS 6 Ca -0.02 1.81 -0.39 0.00 -1.05 0.00 0.00 58.31 58.66 1ssn n LYS 6 Cb 0.57 -3.72 -0.04 0.00 -0.65 0.00 0.00 35.03 31.19 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 0.17 0.38 4.25 2.58 0.00 -1.26 -3.45 105.19 107.86 1ssn n GLY 7 Ca 0.01 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 8.87 0.00 -1.68 1.61 4.76 -1.23 -4.96 118.16 125.53 1ssn n LYS 8 Ca 0.37 0.00 -0.48 0.00 -2.87 0.00 0.00 58.31 55.33 1ssn n LYS 8 Cb 0.47 -0.36 -0.05 0.00 -1.84 0.00 0.00 35.03 33.26 1ssn n LYS 8 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1ssn n TYR 9 N 0.00 2.31 -1.18 2.13 9.36 -1.22 -4.65 117.16 123.89 1ssn n TYR 9 Ca 0.00 0.08 -0.16 0.00 3.32 0.00 0.00 57.90 61.14 1ssn n TYR 9 Cb 0.00 -2.63 0.23 0.00 -0.63 0.00 0.00 39.34 36.31 1ssn n TYR 9 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1ssn n LYS 10 N 5.65 2.74 0.00 2.98 3.00 -1.26 -4.43 118.16 126.84 1ssn n LYS 10 Ca 0.21 -3.05 0.00 0.00 -0.00 0.00 0.00 58.31 55.46 1ssn n LYS 10 Cb 0.29 -2.16 0.00 0.00 0.00 0.00 0.00 35.03 33.16 1ssn n LYS 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1ssn n LYS 11 N -0.80 0.00 0.00 1.64 0.00 -1.25 -4.28 118.16 113.48 1ssn n LYS 11 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.82 1ssn n LYS 11 Cb 1.51 0.00 0.00 0.00 0.00 0.00 0.00 35.03 36.54 1ssn n LYS 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ssn n GLY 12 N 0.00 2.65 3.42 3.14 0.00 -1.26 -5.04 105.19 108.10 1ssn n GLY 12 Ca 0.00 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 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 -5.75 -3.75 1.61 9.92 -1.26 -4.91 116.55 112.41 1ssn n ASP 13 Ca 0.00 -0.47 -0.41 0.00 -0.53 0.00 0.00 54.79 53.38 1ssn n ASP 13 Cb 0.00 -4.60 0.01 0.00 -0.64 0.00 0.00 41.12 35.89 1ssn n ASP 13 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1ssn n ASP 14 N -2.73 6.68 -0.00 -2.24 2.03 -1.26 -4.71 116.55 114.32 1ssn n ASP 14 Ca -0.03 -3.57 -0.18 0.00 0.52 0.00 0.00 54.79 51.53 1ssn n ASP 14 Cb 0.57 -1.16 -0.09 0.00 -0.72 0.00 0.00 41.12 39.73 1ssn n ASP 14 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ssn h ALA 15 N 4.65 0.19 -0.13 -1.67 0.00 -1.91 -3.48 119.26 116.92 1ssn h ALA 15 Ca 0.36 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ssn h ALA 15 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ssn h ALA 15 CO 1.21 0.56 0.00 0.45 0.00 0.00 0.00 179.25 181.47 1ssn n SER 16 N -4.03 0.00 -3.78 0.00 2.88 -1.26 -4.78 113.62 102.65 1ssn n SER 16 Ca -0.09 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.36 1ssn n SER 16 Cb 0.74 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.17 1ssn n SER 16 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1ssn s TYR 17 N 0.00 0.20 0.13 0.66 1.13 -1.26 -4.92 117.35 113.29 1ssn s TYR 17 Ca 0.00 -0.62 0.00 0.00 -1.41 0.00 0.00 57.07 55.04 1ssn s TYR 17 Cb 0.00 0.42 0.00 0.00 -1.10 0.00 0.00 41.96 41.28 1ssn s TYR 17 CO 0.00 -1.15 0.00 0.34 -2.51 0.00 0.00 175.55 172.23 1ssn n PHE 18 N -0.44 -2.57 -0.54 -3.49 7.35 -1.26 -5.06 117.46 111.45 1ssn n PHE 18 Ca -0.03 1.51 0.00 0.00 -0.76 0.00 0.00 57.45 58.17 1ssn n PHE 18 Cb 0.61 -2.84 0.00 0.00 0.35 0.00 0.00 39.48 37.60 1ssn n PHE 18 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1ssn n GLU 19 N 0.81 -1.56 -1.39 -4.13 4.07 -1.26 -4.77 120.64 112.41 1ssn n GLU 19 Ca 0.00 1.15 -0.53 0.00 -0.06 0.00 0.00 57.16 57.72 1ssn n GLU 19 Cb 0.00 -1.29 -0.09 0.00 -0.06 0.00 0.00 31.44 30.01 1ssn n GLU 19 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1ssn n PRO 20 N -0.79 0.75 0.10 5.31 -0.02 -1.26 -4.69 135.00 134.40 1ssn n PRO 20 Ca 0.00 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1ssn n PRO 20 Cb 0.00 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 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 7.03 0.09 0.00 3.45 -2.24 -1.26 -5.13 114.28 116.21 1ssn n THR 21 Ca 0.46 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 62.27 1ssn n THR 21 Cb 0.15 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 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 1.69 0.35 3.81 3.38 0.00 -1.26 -5.13 105.19 108.03 1ssn n GLY 22 Ca 0.00 0.68 -0.30 0.00 0.00 0.00 0.00 46.02 46.40 1ssn n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ssn s PRO 23 N 0.00 0.19 0.19 1.61 0.04 -1.26 -4.50 135.00 131.27 1ssn s PRO 23 Ca 0.00 -0.19 -0.21 0.00 0.04 0.00 0.00 61.00 60.63 1ssn s PRO 23 Cb 0.00 -1.77 0.05 0.00 0.04 0.00 0.00 34.50 32.82 1ssn s PRO 23 CO 0.00 -2.75 0.61 1.52 0.04 0.00 0.00 177.00 176.42 1ssn s TYR 24 N -3.53 -0.38 -0.33 0.56 -0.85 -1.25 -4.73 117.35 106.85 1ssn s TYR 24 Ca 0.71 0.08 0.00 0.00 -0.52 0.00 0.00 57.07 57.35 1ssn s TYR 24 Cb -0.07 0.56 0.14 0.00 0.38 0.00 0.00 41.96 42.96 1ssn s TYR 24 CO 0.54 -0.95 0.29 -1.17 -1.52 0.00 0.00 175.55 172.74 1ssn s LEU 25 N -2.81 0.17 0.07 -3.49 0.20 -0.76 -2.50 118.68 109.54 1ssn s LEU 25 Ca 0.05 -1.40 -0.20 0.00 0.69 0.00 0.00 54.13 53.26 1ssn s LEU 25 Cb -0.02 0.24 -0.07 0.00 -0.43 0.00 0.00 46.19 45.91 1ssn s LEU 25 CO -0.07 -0.33 0.59 0.00 -0.29 0.00 0.00 176.35 176.25 1ssn s MET 26 N 1.74 4.25 -0.44 1.98 0.23 -1.08 -1.86 119.30 124.13 1ssn s MET 26 Ca 0.14 0.77 0.02 0.00 -1.03 0.00 0.00 55.69 55.60 1ssn s MET 26 Cb -0.16 -3.26 0.13 0.00 -1.53 0.00 0.00 34.83 30.00 1ssn s MET 26 CO -0.16 0.58 0.21 0.08 -2.03 0.00 0.00 175.02 173.70 1ssn s VAL 27 N -0.94 1.73 0.20 5.16 1.01 -1.10 -2.49 120.40 123.97 1ssn s VAL 27 Ca 0.30 -2.62 -0.15 0.00 0.00 0.00 0.00 61.98 59.51 1ssn s VAL 27 Cb -0.20 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 33.98 1ssn s VAL 27 CO 0.19 -0.82 0.48 0.20 0.00 0.00 0.00 175.10 175.15 1ssn s ASN 28 N 0.36 -0.17 0.23 3.32 -0.87 -1.22 -4.71 114.94 111.88 1ssn s ASN 28 Ca 0.16 -0.65 -0.05 0.00 -1.57 0.00 0.00 52.86 50.75 1ssn s ASN 28 Cb -0.24 0.56 -0.02 0.00 -0.02 0.00 0.00 41.25 41.53 1ssn s ASN 28 CO -0.03 -1.06 0.28 0.68 -2.57 0.00 0.00 177.10 174.41 1ssn s VAL 29 N -3.92 0.00 -0.23 1.60 -7.23 -1.03 -3.45 120.40 106.13 1ssn s VAL 29 Ca 0.13 -1.75 -0.07 0.00 -1.81 0.00 0.00 61.98 58.48 1ssn s VAL 29 Cb -0.00 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 1ssn s VAL 29 CO 0.01 0.00 0.05 -0.89 -0.31 0.00 0.00 175.10 173.95 1ssn s THR 30 N -4.04 4.18 -0.84 5.32 2.01 -1.09 -3.03 115.64 118.15 1ssn s THR 30 Ca 0.32 -0.22 -0.18 0.00 0.31 0.00 0.00 61.69 61.92 1ssn s THR 30 Cb 0.04 -2.94 0.13 0.00 0.01 0.00 0.00 72.50 69.74 1ssn s THR 30 CO 0.12 0.37 1.00 -0.83 -0.69 0.00 0.00 174.62 174.59 1ssn s GLY 31 N 1.41 1.95 0.41 4.40 0.00 -0.78 -2.27 107.32 112.46 1ssn s GLY 31 Ca 0.05 -2.68 0.07 0.00 0.00 0.00 0.00 44.72 42.16 1ssn s GLY 31 CO 0.02 1.85 0.57 -1.34 0.00 0.00 0.00 173.10 174.21 1ssn s VAL 32 N 2.47 3.27 0.80 1.40 -7.23 -0.75 -1.30 120.40 119.06 1ssn s VAL 32 Ca 0.27 -0.95 -0.10 0.00 -1.81 0.00 0.00 61.98 59.39 1ssn s VAL 32 Cb -0.09 -3.12 0.11 0.00 0.56 0.00 0.00 36.38 33.84 1ssn s VAL 32 CO -0.05 -0.05 1.14 -1.81 -0.31 0.00 0.00 175.10 174.02 1ssn s ASP 33 N -4.31 4.25 0.25 4.85 1.01 -0.64 -1.46 116.67 120.63 1ssn s ASP 33 Ca 0.53 0.43 -0.04 0.00 0.71 0.00 0.00 52.55 54.17 1ssn s ASP 33 Cb -0.10 -0.85 0.37 0.00 1.01 0.00 0.00 42.92 43.35 1ssn s ASP 33 CO 0.33 -2.00 1.87 -1.28 0.21 0.00 0.00 175.17 174.30 1ssn h SER 34 N -0.99 0.93 0.49 0.27 0.87 -1.92 -2.66 113.55 110.54 1ssn h SER 34 Ca -0.44 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.11 1ssn h SER 34 Cb 1.30 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1ssn h SER 34 CO 0.54 0.59 -0.23 0.50 -0.53 0.00 0.00 176.83 177.71 1ssn h LYS 35 N 1.07 -0.63 0.00 2.24 3.64 -2.03 -3.48 116.57 117.38 1ssn h LYS 35 Ca 0.40 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1ssn h LYS 35 Cb 0.17 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1ssn h LYS 35 CO -0.17 -0.37 0.00 0.41 -2.27 0.00 0.00 179.45 177.04 1ssn n GLY 36 N -1.09 -0.75 3.68 5.01 0.00 -1.00 -5.14 105.19 105.90 1ssn n GLY 36 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1ssn n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ssn s ASN 37 N 0.00 7.16 -0.45 1.61 0.01 -1.26 -4.52 114.94 117.49 1ssn s ASN 37 Ca 0.00 1.51 -0.27 0.00 -0.71 0.00 0.00 52.86 53.39 1ssn s ASN 37 Cb 0.00 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 1ssn s ASN 37 CO 0.00 -0.56 2.05 -1.83 -1.51 0.00 0.00 177.10 175.25 1ssn s GLU 38 N 2.54 2.74 -0.02 -0.60 1.03 -1.26 -1.62 118.70 121.50 1ssn s GLU 38 Ca 0.48 1.26 -0.22 0.00 0.03 0.00 0.00 54.97 56.52 1ssn s GLU 38 Cb -0.18 -4.39 -0.14 0.00 -0.80 0.00 0.00 34.13 28.62 1ssn s GLU 38 CO 0.14 -2.56 0.96 -0.07 -1.33 0.00 0.00 175.26 172.40 1ssn h LEU 39 N 16.40 -0.41 -9.40 1.83 4.07 -1.52 -3.47 115.31 122.81 1ssn h LEU 39 Ca -0.30 -0.14 -0.61 0.00 0.08 0.00 0.00 57.88 56.92 1ssn h LEU 39 Cb 1.20 0.11 -0.14 0.00 1.08 0.00 0.00 40.66 42.91 1ssn h LEU 39 CO 1.11 0.03 -0.68 -0.76 -1.08 0.00 0.00 178.44 177.06 1ssn s LEU 40 N -9.28 2.70 -0.40 1.67 1.43 -1.06 -5.06 118.68 108.69 1ssn s LEU 40 Ca -0.12 -1.20 0.08 0.00 -1.03 0.00 0.00 54.13 51.87 1ssn s LEU 40 Cb 0.01 -0.96 0.27 0.00 0.03 0.00 0.00 46.19 45.54 1ssn s LEU 40 CO 0.43 -0.22 0.61 -1.20 0.23 0.00 0.00 176.35 176.20 1ssn n SER 41 N -0.77 -0.14 -4.58 2.29 7.64 -1.26 -1.86 113.62 114.94 1ssn n SER 41 Ca -0.05 -2.83 -0.41 0.00 1.01 0.00 0.00 58.87 56.59 1ssn n SER 41 Cb 0.63 -0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 63.51 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 -1.12 2.85 -0.36 1.43 0.04 -1.17 -4.73 135.00 131.94 1ssn s PRO 42 Ca 0.35 1.57 0.02 0.00 0.04 0.00 0.00 61.00 62.98 1ssn s PRO 42 Cb 0.21 -4.39 0.15 0.00 0.04 0.00 0.00 34.50 30.51 1ssn s PRO 42 CO -0.12 -2.43 0.34 -1.01 0.04 0.00 0.00 177.00 173.82 1ssn s HIS 43 N 9.08 -0.09 0.00 0.56 3.76 -1.26 -2.46 115.29 124.88 1ssn s HIS 43 Ca 0.91 -0.97 0.00 0.00 -0.15 0.00 0.00 55.06 54.85 1ssn s HIS 43 Cb -0.24 -0.51 0.00 0.00 1.11 0.00 0.00 32.58 32.94 1ssn s HIS 43 CO 0.31 -0.94 0.00 2.48 -0.85 0.00 0.00 174.74 175.74 1ssn n TYR 44 N 4.23 0.00 -2.36 1.40 4.11 -1.26 -3.46 117.16 119.81 1ssn n TYR 44 Ca 0.11 0.00 -0.39 0.00 -0.00 0.00 0.00 57.90 57.61 1ssn n TYR 44 Cb 0.43 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.74 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 -1.00 3.61 0.68 -3.48 1.01 -1.26 -3.81 120.40 116.14 1ssn s VAL 45 Ca 0.00 0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.14 1ssn s VAL 45 Cb 0.00 -4.57 0.06 0.00 0.00 0.00 0.00 36.38 31.86 1ssn s VAL 45 CO 0.00 -1.52 0.97 -1.83 0.00 0.00 0.00 175.10 172.72 1ssn s GLU 46 N 6.16 2.25 -0.22 2.72 4.04 -1.26 -2.72 118.70 129.67 1ssn s GLU 46 Ca 0.48 -0.37 -0.13 0.00 0.04 0.00 0.00 54.97 54.99 1ssn s GLU 46 Cb -0.09 -2.23 0.07 0.00 0.02 0.00 0.00 34.13 31.90 1ssn s GLU 46 CO 0.14 -1.14 0.54 0.12 -1.84 0.00 0.00 175.26 173.08 1ssn s PHE 47 N -3.15 -0.79 -0.04 4.83 5.36 -0.78 -4.90 117.98 118.50 1ssn s PHE 47 Ca 0.60 1.66 -0.30 0.00 -0.96 0.00 0.00 56.93 57.93 1ssn s PHE 47 Cb -0.11 0.41 -0.05 0.00 -0.34 0.00 0.00 43.02 42.93 1ssn s PHE 47 CO 0.43 -0.41 1.55 -1.25 -1.46 0.00 0.00 175.22 174.08 1ssn s PRO 48 N 1.38 4.21 0.25 10.12 0.04 -1.26 -1.84 135.00 147.90 1ssn s PRO 48 Ca -0.09 2.10 -0.31 0.00 0.04 0.00 0.00 61.00 62.74 1ssn s PRO 48 Cb -0.07 -3.81 -0.13 0.00 0.04 0.00 0.00 34.50 30.54 1ssn s PRO 48 CO -0.14 -0.75 1.54 1.51 0.04 0.00 0.00 177.00 179.20 1ssn n ILE 49 N 5.18 0.77 -3.48 0.56 3.06 -1.26 -4.92 119.36 119.27 1ssn n ILE 49 Ca 0.16 -0.19 -0.25 0.00 -2.50 0.00 0.00 62.75 59.97 1ssn n ILE 49 Cb 0.43 -1.75 -0.13 0.00 0.54 0.00 0.00 39.64 38.73 1ssn n ILE 49 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 1ssn s LYS 50 N -0.13 0.30 0.93 9.51 1.02 -1.26 -5.07 119.74 125.04 1ssn s LYS 50 Ca 0.68 -0.51 -0.14 0.00 0.02 0.00 0.00 55.97 56.02 1ssn s LYS 50 Cb -0.57 -0.99 0.16 0.00 -0.52 0.00 0.00 37.83 35.91 1ssn s LYS 50 CO 0.46 -1.05 1.21 -1.25 -0.92 0.00 0.00 175.35 173.80 1ssn s PRO 51 N 2.04 0.97 0.00 -1.68 0.04 -1.26 -4.34 135.00 130.77 1ssn s PRO 51 Ca 0.11 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.09 1ssn s PRO 51 Cb -0.16 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1ssn s PRO 51 CO -0.30 -2.25 0.00 0.41 0.04 0.00 0.00 177.00 174.90 1ssn n GLY 52 N -2.98 3.16 3.75 0.56 0.00 -0.95 -5.03 105.19 103.71 1ssn n GLY 52 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.92 2.77 0.59 2.61 -1.32 -1.26 -4.71 115.64 111.40 1ssn s THR 53 Ca 0.00 0.44 -0.20 0.00 -1.21 0.00 0.00 61.69 60.72 1ssn s THR 53 Cb 0.00 -3.10 -0.03 0.00 -1.51 0.00 0.00 72.50 67.86 1ssn s THR 53 CO 0.00 -0.14 1.28 -0.89 -2.21 0.00 0.00 174.62 172.66 1ssn s THR 54 N -1.81 2.29 -0.29 5.08 2.01 -1.26 -1.98 115.64 119.68 1ssn s THR 54 Ca 0.74 0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.95 1ssn s THR 54 Cb -0.27 -3.09 0.16 0.00 0.01 0.00 0.00 72.50 69.31 1ssn s THR 54 CO 0.35 -0.03 0.42 -0.22 -0.69 0.00 0.00 174.62 174.45 1ssn s LEU 55 N -3.93 -0.81 0.00 4.42 1.98 -0.32 -4.73 118.68 115.29 1ssn s LEU 55 Ca 0.76 -0.28 0.00 0.00 -2.89 0.00 0.00 54.13 51.73 1ssn s LEU 55 Cb -0.36 1.16 -0.00 0.00 0.66 0.00 0.00 46.19 47.65 1ssn s LEU 55 CO 0.40 -0.35 0.04 1.07 -1.89 0.00 0.00 176.35 175.63 1ssn n THR 56 N 5.36 0.00 0.34 3.68 5.66 -1.26 -3.26 114.28 124.79 1ssn n THR 56 Ca 0.00 -0.23 -0.18 0.00 -3.05 0.00 0.00 64.05 60.60 1ssn n THR 56 Cb 0.50 0.13 -0.09 0.00 -1.55 0.00 0.00 70.33 69.32 1ssn n THR 56 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1ssn h LYS 57 N 0.00 -0.89 0.00 1.09 3.64 -1.78 -2.55 116.57 116.08 1ssn h LYS 57 Ca -0.03 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1ssn h LYS 57 Cb 0.13 0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1ssn h LYS 57 CO 0.04 -0.59 -0.09 1.05 -2.27 0.00 0.00 179.45 177.59 1ssn h GLU 58 N -0.92 0.00 0.36 1.90 -0.00 -1.95 -1.95 114.58 112.02 1ssn h GLU 58 Ca -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.27 1ssn h GLU 58 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.51 1ssn h GLU 58 CO 0.07 0.09 -0.17 -0.22 -0.00 0.00 0.00 179.01 178.77 1ssn h LYS 59 N 0.00 -0.47 -0.14 1.06 1.63 -1.91 -3.09 116.57 113.65 1ssn h LYS 59 Ca -0.00 0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.88 1ssn h LYS 59 Cb 0.17 0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 31.84 1ssn h LYS 59 CO 0.01 -0.24 -0.34 0.82 -3.45 0.00 0.00 179.45 176.25 1ssn h ILE 60 N -0.60 0.26 -0.25 2.00 1.08 -1.01 -2.69 117.51 116.30 1ssn h ILE 60 Ca -0.05 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.45 1ssn h ILE 60 Cb 0.44 0.26 -0.05 0.00 -3.07 0.00 0.00 36.82 34.40 1ssn h ILE 60 CO 0.08 0.00 -0.35 -0.33 -0.69 0.00 0.00 178.15 176.86 1ssn h GLU 61 N -0.41 -0.25 -0.66 2.37 5.08 -1.33 0.22 114.58 119.60 1ssn h GLU 61 Ca 0.09 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1ssn h GLU 61 Cb 0.56 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1ssn h GLU 61 CO -0.37 -0.16 0.21 0.10 -1.00 0.00 0.00 179.01 177.79 1ssn h TYR 62 N -0.26 1.03 -0.04 4.33 -0.00 -1.56 -2.25 116.97 118.23 1ssn h TYR 62 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 58.73 58.67 1ssn h TYR 62 Cb 0.38 -0.30 -0.00 0.00 0.00 0.00 0.00 36.73 36.80 1ssn h TYR 62 CO -0.67 0.82 -0.02 -0.92 -0.00 0.00 0.00 178.16 177.37 1ssn h TYR 63 N 0.97 0.10 -0.47 0.10 5.03 -1.03 -1.55 116.97 120.11 1ssn h TYR 63 Ca 0.22 -0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.42 1ssn h TYR 63 Cb 0.27 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.51 1ssn h TYR 63 CO 0.02 0.47 -0.03 -0.39 -1.32 0.00 0.00 178.16 176.90 1ssn h VAL 64 N -0.30 1.25 -0.59 1.81 -1.51 -1.01 -1.58 116.25 114.32 1ssn h VAL 64 Ca 0.01 -1.06 0.02 0.00 -1.23 0.00 0.00 66.70 64.45 1ssn h VAL 64 Cb 0.44 0.92 -0.04 0.00 -2.13 0.00 0.00 31.29 30.48 1ssn h VAL 64 CO 0.01 0.37 0.37 -0.33 -1.23 0.00 0.00 177.57 176.75 1ssn h GLU 65 N 0.74 0.70 -0.25 5.19 5.08 -1.28 -1.89 114.58 122.87 1ssn h GLU 65 Ca 0.14 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 1ssn h GLU 65 Cb 0.50 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1ssn h GLU 65 CO 0.03 0.47 -0.27 -1.49 -1.00 0.00 0.00 179.01 176.74 1ssn h TRP 66 N 0.73 0.56 0.48 4.33 -0.00 -1.07 -2.83 115.95 118.14 1ssn h TRP 66 Ca 0.24 -0.12 -0.02 0.00 -0.00 0.00 0.00 58.89 58.98 1ssn h TRP 66 Cb 0.01 -0.14 0.00 0.00 -0.00 0.00 0.00 29.16 29.04 1ssn h TRP 66 CO -0.05 0.72 -0.23 0.00 -0.00 0.00 0.00 178.44 178.88 1ssn h ALA 67 N 1.28 -1.07 -0.32 1.49 0.00 -0.51 -3.07 119.26 117.05 1ssn h ALA 67 Ca 0.06 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1ssn h ALA 67 Cb 0.70 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1ssn h ALA 67 CO 0.05 -1.02 -0.16 1.37 0.00 0.00 0.00 179.25 179.48 1ssn h LEU 68 N -0.70 0.57 -4.45 0.00 -0.00 -1.54 -2.99 115.31 106.20 1ssn h LEU 68 Ca -0.07 -0.17 -0.48 0.00 -0.00 0.00 0.00 57.88 57.17 1ssn h LEU 68 Cb 0.49 -0.15 -0.17 0.00 -0.00 0.00 0.00 40.66 40.83 1ssn h LEU 68 CO 0.11 0.75 0.36 0.47 -0.00 0.00 0.00 178.44 180.12 1ssn n ASP 69 N -4.16 6.41 -0.09 0.17 8.00 -1.07 -2.97 116.55 122.84 1ssn n ASP 69 Ca 0.00 -3.17 -0.18 0.00 0.71 0.00 0.00 54.79 52.16 1ssn n ASP 69 Cb 0.36 -1.23 -0.06 0.00 -0.02 0.00 0.00 41.12 40.17 1ssn n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ssn n ALA 70 N 0.92 1.70 0.02 2.24 0.00 -1.13 -4.47 120.51 119.78 1ssn n ALA 70 Ca 0.48 -0.74 -0.18 0.00 0.00 0.00 0.00 53.44 52.99 1ssn n ALA 70 Cb 0.57 0.22 -0.14 0.00 0.00 0.00 0.00 19.45 20.10 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 -0.70 1.57 0.00 0.00 1.35 -1.79 -3.44 112.91 109.89 1ssn h THR 71 Ca -0.40 -2.45 0.00 0.00 -0.55 0.00 0.00 66.41 63.01 1ssn h THR 71 Cb 1.29 3.19 0.00 0.00 -1.73 0.00 0.00 68.15 70.90 1ssn h THR 71 CO -0.24 0.68 0.00 0.00 -0.25 0.00 0.00 175.52 175.71 1ssn n ALA 72 N -2.65 0.00 -0.89 6.62 0.00 -1.16 -4.90 120.51 117.54 1ssn n ALA 72 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1ssn n ALA 72 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.10 0.00 0.00 4.19 -1.26 -4.86 117.16 115.13 1ssn n TYR 73 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1ssn n TYR 73 Cb 0.00 0.10 0.00 0.00 0.49 0.00 0.00 39.34 39.93 1ssn n TYR 73 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1ssn n LYS 74 N 0.00 0.00 0.00 2.98 5.02 -1.26 -4.30 118.16 120.59 1ssn n LYS 74 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ssn n LYS 74 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 0.00 -2.84 1.97 4.71 -1.26 -5.02 120.64 118.20 1ssn n GLU 75 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.08 1ssn n GLU 75 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 31.44 30.44 1ssn n GLU 75 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1ssn n PHE 76 N 0.00 -3.57 0.19 -0.32 3.01 -1.26 -4.63 117.46 110.88 1ssn n PHE 76 Ca 0.00 1.48 -0.14 0.00 1.01 0.00 0.00 57.45 59.80 1ssn n PHE 76 Cb 0.00 -4.00 -0.08 0.00 -0.01 0.00 0.00 39.48 35.39 1ssn n PHE 76 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1ssn h ARG 77 N 2.26 -0.48 -5.19 -1.08 2.43 -1.51 -3.43 114.38 107.37 1ssn h ARG 77 Ca -0.02 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1ssn h ARG 77 Cb 0.78 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1ssn h ARG 77 CO 0.18 -0.17 -0.41 0.28 -1.51 0.00 0.00 179.97 178.34 1ssn n VAL 78 N -5.18-10.59 -0.20 0.20 0.31 -0.61 -4.91 118.33 97.34 1ssn n VAL 78 Ca -0.10 0.70 -0.07 0.00 -0.01 0.00 0.00 64.34 64.86 1ssn n VAL 78 Cb 0.28 -7.11 0.03 0.00 -0.91 0.00 0.00 33.84 26.12 1ssn n VAL 78 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 1ssn h VAL 79 N 1.69 1.18 -4.37 2.52 3.04 -1.79 -3.46 116.25 115.07 1ssn h VAL 79 Ca 0.00 -0.45 -0.28 0.00 -1.01 0.00 0.00 66.70 64.96 1ssn h VAL 79 Cb 0.96 0.43 -0.15 0.00 -2.01 0.00 0.00 31.29 30.52 1ssn h VAL 79 CO 0.21 0.20 -0.61 -1.61 -1.01 0.00 0.00 177.57 174.74 1ssn s GLU 80 N -5.89 1.29 0.12 4.17 2.02 -1.24 -5.08 118.70 114.10 1ssn s GLU 80 Ca -0.13 -1.69 -0.16 0.00 0.02 0.00 0.00 54.97 53.01 1ssn s GLU 80 Cb 0.13 0.12 0.03 0.00 0.10 0.00 0.00 34.13 34.52 1ssn s GLU 80 CO 0.77 -0.38 0.40 -0.48 0.02 0.00 0.00 175.26 175.58 1ssn s LEU 81 N -3.21 0.42 -0.18 1.80 0.05 -1.26 -1.69 118.68 114.61 1ssn s LEU 81 Ca 0.39 -0.31 -0.29 0.00 0.05 0.00 0.00 54.13 53.96 1ssn s LEU 81 Cb 0.07 1.82 -0.01 0.00 -2.05 0.00 0.00 46.19 46.02 1ssn s LEU 81 CO 0.13 -0.84 1.17 -1.81 -0.55 0.00 0.00 176.35 174.45 1ssn s ASP 82 N -2.78 7.02 0.25 1.48 1.11 -0.87 -4.93 116.67 117.95 1ssn s ASP 82 Ca 0.03 1.59 0.04 0.00 0.18 0.00 0.00 52.55 54.39 1ssn s ASP 82 Cb 0.02 -2.54 0.31 0.00 1.07 0.00 0.00 42.92 41.78 1ssn s ASP 82 CO -0.12 -0.71 1.61 1.55 1.18 0.00 0.00 175.17 178.68 1ssn h PRO 83 N 7.86 0.27 -3.94 8.23 0.13 -2.01 -3.32 132.00 139.22 1ssn h PRO 83 Ca -0.25 -0.16 -0.72 0.00 -0.87 0.00 0.00 66.00 64.00 1ssn h PRO 83 Cb 1.09 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.16 1ssn h PRO 83 CO 0.96 0.73 2.78 0.43 -0.23 0.00 0.00 178.00 182.67 1ssn n SER 84 N -3.94 4.26 -4.75 1.44 7.64 -1.26 -4.94 113.62 112.07 1ssn n SER 84 Ca -0.02 -2.92 -0.31 0.00 1.01 0.00 0.00 58.87 56.63 1ssn n SER 84 Cb 0.56 -1.61 0.10 0.00 -1.01 0.00 0.00 64.21 62.25 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 2.44 2.09 -0.00 -0.43 0.00 -1.25 -4.90 121.76 119.71 1ssn s ALA 85 Ca 0.45 0.25 -0.02 0.00 0.00 0.00 0.00 51.96 52.64 1ssn s ALA 85 Cb 0.12 -3.28 -0.00 0.00 0.00 0.00 0.00 23.12 19.96 1ssn s ALA 85 CO -0.06 -1.93 0.04 -1.59 0.00 0.00 0.00 175.76 172.22 1ssn s LYS 86 N -4.89 0.24 -0.34 0.00 -2.85 -1.26 -2.79 119.74 107.85 1ssn s LYS 86 Ca 0.62 -0.26 0.03 0.00 -1.00 0.00 0.00 55.97 55.36 1ssn s LYS 86 Cb -0.18 0.09 0.10 0.00 -2.06 0.00 0.00 37.83 35.79 1ssn s LYS 86 CO 0.56 -0.04 0.07 0.42 0.10 0.00 0.00 175.35 176.46 1ssn s ILE 87 N -0.77 1.96 -1.27 3.79 1.09 -0.07 -3.33 121.20 122.60 1ssn s ILE 87 Ca -0.09 -2.18 -0.11 0.00 -1.10 0.00 0.00 60.65 57.18 1ssn s ILE 87 Cb -0.05 -2.45 0.16 0.00 -1.06 0.00 0.00 42.46 39.06 1ssn s ILE 87 CO 0.00 -0.63 1.79 -0.62 -0.10 0.00 0.00 174.94 175.38 1ssn n GLU 88 N 4.32 3.53 -2.02 2.79 1.02 -0.43 -2.66 120.64 127.19 1ssn n GLU 88 Ca 0.03 -3.56 -0.43 0.00 -0.02 0.00 0.00 57.16 53.18 1ssn n GLU 88 Cb 0.41 -2.98 -0.03 0.00 -0.02 0.00 0.00 31.44 28.83 1ssn n GLU 88 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ssn s VAL 89 N 0.83 3.57 -0.74 2.62 0.11 -0.97 -3.30 120.40 122.52 1ssn s VAL 89 Ca 0.41 0.64 -0.12 0.00 -2.93 0.00 0.00 61.98 59.98 1ssn s VAL 89 Cb 0.07 -3.57 0.19 0.00 -1.53 0.00 0.00 36.38 31.54 1ssn s VAL 89 CO 0.00 -0.23 0.65 -0.89 -3.33 0.00 0.00 175.10 171.30 1ssn s THR 90 N 5.38 5.10 -0.89 5.04 2.01 -0.69 -1.66 115.64 129.93 1ssn s THR 90 Ca 0.76 -2.45 -0.24 0.00 0.31 0.00 0.00 61.69 60.06 1ssn s THR 90 Cb -0.28 -4.20 0.05 0.00 0.01 0.00 0.00 72.50 68.09 1ssn s THR 90 CO 0.31 -0.97 1.33 -0.72 -0.69 0.00 0.00 174.62 173.88 1ssn s TYR 91 N 0.31 2.49 -0.17 4.92 1.13 -1.18 -0.99 117.35 123.85 1ssn s TYR 91 Ca 0.16 -0.57 -0.06 0.00 -1.41 0.00 0.00 57.07 55.19 1ssn s TYR 91 Cb -0.15 -4.62 -0.04 0.00 -1.10 0.00 0.00 41.96 36.06 1ssn s TYR 91 CO -0.06 -1.94 0.03 1.52 -2.51 0.00 0.00 175.55 172.58 1ssn s TYR 92 N 5.04 3.17 -0.35 -3.49 -0.85 -1.26 -3.39 117.35 116.22 1ssn s TYR 92 Ca 0.39 -0.07 0.06 0.00 -0.52 0.00 0.00 57.07 56.93 1ssn s TYR 92 Cb -0.04 -2.04 0.19 0.00 0.38 0.00 0.00 41.96 40.45 1ssn s TYR 92 CO 0.01 0.08 0.65 0.34 -1.52 0.00 0.00 175.55 175.10 1ssn s ASP 93 N 0.39 -1.48 0.55 -0.18 -1.08 -1.26 -4.49 116.67 109.12 1ssn s ASP 93 Ca 0.01 -0.33 0.25 0.00 -0.52 0.00 0.00 52.55 51.96 1ssn s ASP 93 Cb -0.13 1.89 1.47 0.00 -1.46 0.00 0.00 42.92 44.69 1ssn s ASP 93 CO 0.01 -0.21 2.05 0.07 0.52 0.00 0.00 175.17 177.61 1ssn h LYS 94 N 7.33 0.00 -0.86 4.34 5.09 -1.90 -0.23 116.57 130.34 1ssn h LYS 94 Ca 0.02 0.00 0.08 0.00 0.09 0.00 0.00 60.65 60.83 1ssn h LYS 94 Cb 1.19 0.00 -0.07 0.00 0.10 0.00 0.00 32.23 33.45 1ssn h LYS 94 CO 0.10 0.00 0.52 -0.91 -2.09 0.00 0.00 179.45 177.08 1ssn h ASN 95 N 0.00 0.80 0.00 7.07 2.35 -1.97 -3.44 115.58 120.39 1ssn h ASN 95 Ca 0.15 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1ssn h ASN 95 Cb 0.68 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.91 1ssn h ASN 95 CO -0.00 0.49 0.00 2.29 -1.65 0.00 0.00 177.43 178.55 1ssn n LYS 96 N -4.66 0.00 0.12 0.81 2.85 -0.83 -5.02 118.16 111.44 1ssn n LYS 96 Ca 0.13 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.33 1ssn n LYS 96 Cb 0.22 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.57 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 -0.37 0.00 -1.58 1.63 -1.50 -3.50 116.57 111.25 1ssn h LYS 97 Ca 0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1ssn h LYS 97 Cb 0.00 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1ssn h LYS 97 CO 0.00 -0.25 0.00 1.17 -3.45 0.00 0.00 179.45 176.92 1ssn n LYS 98 N -4.70 0.00 -1.64 1.90 4.81 -0.21 -4.86 118.16 113.47 1ssn n LYS 98 Ca -0.05 0.00 -0.53 0.00 -0.87 0.00 0.00 58.31 56.86 1ssn n LYS 98 Cb 0.15 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.14 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 -1.39 1.33 -3.25 1.64 2.13 -1.25 -4.43 120.64 115.42 1ssn n GLU 99 Ca 0.00 0.48 -0.04 0.00 0.66 0.00 0.00 57.16 58.26 1ssn n GLU 99 Cb 0.00 -2.16 -0.04 0.00 0.27 0.00 0.00 31.44 29.51 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 1.68 0.47 -0.77 5.31 2.12 -1.22 -4.96 118.70 121.34 1ssn s GLU 100 Ca 0.88 0.36 -0.26 0.00 0.36 0.00 0.00 54.97 56.31 1ssn s GLU 100 Cb -0.94 -0.07 0.02 0.00 0.26 0.00 0.00 34.13 33.39 1ssn s GLU 100 CO 0.52 -0.98 1.47 0.99 -0.54 0.00 0.00 175.26 176.71 1ssn s THR 101 N 2.66 3.66 -0.47 -1.70 2.01 -1.26 -3.12 115.64 117.42 1ssn s THR 101 Ca 0.11 0.14 -0.21 0.00 0.31 0.00 0.00 61.69 62.04 1ssn s THR 101 Cb -0.12 -4.68 0.03 0.00 0.01 0.00 0.00 72.50 67.75 1ssn s THR 101 CO -0.27 -1.62 0.68 -0.75 -0.69 0.00 0.00 174.62 171.97 1ssn s LYS 102 N 5.97 3.25 -1.30 4.92 2.36 -0.66 -4.95 119.74 129.33 1ssn s LYS 102 Ca 0.46 -0.48 -0.16 0.00 -2.55 0.00 0.00 55.97 53.24 1ssn s LYS 102 Cb -0.08 -4.00 0.09 0.00 -1.05 0.00 0.00 37.83 32.80 1ssn s LYS 102 CO 0.11 -1.12 1.75 -1.13 1.55 0.00 0.00 175.35 176.51 1ssn n SER 103 N 6.40 4.85 -4.72 1.43 3.41 -1.26 -2.29 113.62 121.44 1ssn n SER 103 Ca -0.02 -2.93 -0.42 0.00 -0.26 0.00 0.00 58.87 55.24 1ssn n SER 103 Cb 0.47 -1.68 -0.03 0.00 -0.26 0.00 0.00 64.21 62.71 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 3.26 3.38 0.00 7.33 5.36 -1.09 -4.93 117.98 131.29 1ssn s PHE 104 Ca 0.50 1.26 0.00 0.00 -0.96 0.00 0.00 56.93 57.73 1ssn s PHE 104 Cb 0.04 -3.49 0.00 0.00 -0.34 0.00 0.00 43.02 39.23 1ssn s PHE 104 CO 0.03 -1.53 0.00 -0.35 -1.46 0.00 0.00 175.22 171.91 1ssn n PRO 105 N 3.39 0.00 -3.48 10.12 -0.04 -1.26 -0.89 135.00 142.84 1ssn n PRO 105 Ca 0.08 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.39 1ssn n PRO 105 Cb 0.45 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.21 0.52 1.10 -1.12 -3.93 121.20 117.55 1ssn s ILE 106 Ca 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 60.65 60.08 1ssn s ILE 106 Cb 0.00 -1.00 -0.02 0.00 0.15 0.00 0.00 42.46 41.59 1ssn s ILE 106 CO 0.00 0.00 0.02 0.42 -2.11 0.00 0.00 174.94 173.27 1ssn s THR 107 N -2.22 4.03 0.33 4.00 -4.23 -1.26 -4.91 115.64 111.37 1ssn s THR 107 Ca -0.06 -0.28 0.01 0.00 -1.18 0.00 0.00 61.69 60.18 1ssn s THR 107 Cb -0.00 -2.84 0.23 0.00 1.34 0.00 0.00 72.50 71.22 1ssn s THR 107 CO 0.00 0.41 1.95 -0.08 -0.54 0.00 0.00 174.62 176.36 1ssn h GLU 108 N 7.71 0.84 0.34 3.99 4.22 -1.95 -3.18 114.58 126.55 1ssn h GLU 108 Ca -0.37 -0.09 -0.00 0.00 0.08 0.00 0.00 59.36 58.98 1ssn h GLU 108 Cb 1.18 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 1ssn h GLU 108 CO 0.60 0.62 -0.35 -0.22 -2.18 0.00 0.00 179.01 177.48 1ssn h LYS 109 N 0.85 -0.69 0.00 1.92 3.64 -2.00 -3.40 116.57 116.89 1ssn h LYS 109 Ca 0.22 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1ssn h LYS 109 Cb 0.03 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1ssn h LYS 109 CO -0.04 -0.46 0.00 0.41 -2.27 0.00 0.00 179.45 177.09 1ssn n GLY 110 N -1.46 2.65 3.56 5.01 0.00 -1.20 -5.05 105.19 108.70 1ssn n GLY 110 Ca -0.09 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 1ssn n GLY 110 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ssn s PHE 111 N -0.94 -0.05 0.02 1.61 5.36 -1.20 -4.83 117.98 117.94 1ssn s PHE 111 Ca 0.00 -0.31 0.01 0.00 -0.96 0.00 0.00 56.93 55.68 1ssn s PHE 111 Cb 0.00 0.39 -0.02 0.00 -0.34 0.00 0.00 43.02 43.05 1ssn s PHE 111 CO 0.00 -0.95 -0.05 0.08 -1.46 0.00 0.00 175.22 172.83 1ssn s VAL 112 N -3.90 0.36 -0.08 3.12 1.01 -1.25 -1.18 120.40 118.48 1ssn s VAL 112 Ca 0.11 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 1ssn s VAL 112 Cb -0.01 -0.40 -0.06 0.00 0.00 0.00 0.00 36.38 35.90 1ssn s VAL 112 CO -0.00 -0.22 1.89 -0.69 0.00 0.00 0.00 175.10 176.08 1ssn s VAL 113 N -0.89 3.25 0.92 2.92 1.01 -0.84 -4.84 120.40 121.93 1ssn s VAL 113 Ca -0.07 0.30 -0.15 0.00 0.00 0.00 0.00 61.98 62.06 1ssn s VAL 113 Cb -0.07 -3.23 0.16 0.00 0.00 0.00 0.00 36.38 33.24 1ssn s VAL 113 CO -0.00 -0.07 1.28 -2.16 0.00 0.00 0.00 175.10 174.14 1ssn s PRO 114 N 4.82 1.02 0.00 2.72 0.04 -1.26 -2.23 135.00 140.11 1ssn s PRO 114 Ca 0.85 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1ssn s PRO 114 Cb -0.35 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1ssn s PRO 114 CO 0.36 -2.18 0.00 -0.40 0.04 0.00 0.00 177.00 174.81 1ssn n ASP 115 N -3.65 -0.43 -1.32 6.66 5.75 -1.26 -4.69 116.55 117.61 1ssn n ASP 115 Ca 0.13 -0.38 0.02 0.00 -0.01 0.00 0.00 54.79 54.55 1ssn n ASP 115 Cb 0.60 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.70 1ssn n ASP 115 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ssn n LEU 116 N 0.00 0.67 0.00 -2.12 -0.00 -1.26 -5.11 117.00 109.17 1ssn n LEU 116 Ca 0.00 -1.87 0.00 0.00 -0.00 0.00 0.00 56.01 54.14 1ssn n LEU 116 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ssn n LEU 116 CO 0.00 0.58 0.00 -0.24 -0.00 0.00 0.00 177.39 177.73 1ssn n SER 117 N 0.38 0.00 0.00 1.45 2.88 -1.26 -4.16 113.62 112.91 1ssn n SER 117 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1ssn n SER 117 Cb 1.04 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.50 1ssn n SER 117 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1ssn n GLU 118 N 4.76 0.00 -0.32 -1.46 -0.00 -1.26 -4.94 120.64 117.42 1ssn n GLU 118 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.16 57.14 1ssn n GLU 118 Cb 0.00 -0.05 0.14 0.00 -0.00 0.00 0.00 31.44 31.54 1ssn n GLU 118 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.13 178.25 1ssn h HIS 119 N 0.00 1.17 -2.97 -1.84 2.07 -2.04 -3.39 115.15 108.14 1ssn h HIS 119 Ca 0.00 0.01 -0.65 0.00 -2.85 0.00 0.00 60.37 56.88 1ssn h HIS 119 Cb 0.00 -0.39 -0.11 0.00 2.57 0.00 0.00 27.41 29.48 1ssn h HIS 119 CO 0.00 0.76 -0.53 -1.50 -3.07 0.00 0.00 177.93 173.59 1ssn s ILE 120 N -5.96 5.12 -0.01 6.12 1.10 -1.26 -4.52 121.20 121.79 1ssn s ILE 120 Ca -0.12 0.07 0.01 0.00 -0.51 0.00 0.00 60.65 60.09 1ssn s ILE 120 Cb 0.18 -3.24 0.01 0.00 0.15 0.00 0.00 42.46 39.56 1ssn s ILE 120 CO 0.81 0.57 0.72 2.29 -2.11 0.00 0.00 174.94 177.22 1ssn n LYS 121 N 2.46 0.33 -2.75 3.50 2.85 -1.26 -4.64 118.16 118.66 1ssn n LYS 121 Ca -0.19 -0.84 -0.09 0.00 -1.05 0.00 0.00 58.31 56.15 1ssn n LYS 121 Cb 0.54 -0.59 0.07 0.00 -0.65 0.00 0.00 35.03 34.40 1ssn n LYS 121 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1ssn n ASN 122 N -0.11 -2.51 -3.19 -5.58 0.23 -1.26 -4.85 115.26 97.98 1ssn n ASN 122 Ca 0.01 -3.54 -0.19 0.00 -0.53 0.00 0.00 54.58 50.33 1ssn n ASN 122 Cb 0.54 1.86 0.14 0.00 -2.08 0.00 0.00 39.78 40.24 1ssn n ASN 122 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1ssn n PRO 123 N 0.86 -1.45 -3.18 -0.53 -0.04 -1.26 -4.16 135.00 125.23 1ssn n PRO 123 Ca 0.07 -1.23 -0.20 0.00 -0.04 0.00 0.00 63.50 62.10 1ssn n PRO 123 Cb 0.67 -0.94 -0.06 0.00 -0.04 0.00 0.00 33.50 33.13 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 -1.17 1.47 3.65 0.55 0.00 -0.16 -3.74 105.19 105.79 1ssn n GLY 124 Ca 0.10 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 0.12 1.88 -0.49 1.61 0.40 -1.04 -1.71 117.98 118.74 1ssn s PHE 125 Ca 0.32 0.23 0.04 0.00 -0.60 0.00 0.00 56.93 56.92 1ssn s PHE 125 Cb 0.06 -3.97 0.13 0.00 0.51 0.00 0.00 43.02 39.74 1ssn s PHE 125 CO -0.16 -3.84 0.24 -0.80 0.70 0.00 0.00 175.22 171.37 1ssn s ASN 126 N 4.01 4.29 -1.33 1.36 0.01 -1.21 -2.62 114.94 119.44 1ssn s ASN 126 Ca 0.76 -2.89 -0.11 0.00 -0.71 0.00 0.00 52.86 49.92 1ssn s ASN 126 Cb -0.32 -1.57 0.13 0.00 0.41 0.00 0.00 41.25 39.89 1ssn s ASN 126 CO 0.31 -0.25 1.99 0.18 -1.51 0.00 0.00 177.10 177.82 1ssn n LEU 127 N 3.26 6.75 -4.36 0.60 4.32 -1.04 -1.32 117.00 125.22 1ssn n LEU 127 Ca 0.05 -4.51 -0.46 0.00 -0.02 0.00 0.00 56.01 51.07 1ssn n LEU 127 Cb 0.33 -1.53 -0.02 0.00 -1.62 0.00 0.00 43.42 40.58 1ssn n LEU 127 CO 0.32 1.32 0.58 -0.63 -1.22 0.00 0.00 177.39 177.76 1ssn s ILE 128 N 1.16 5.39 0.56 -0.08 1.01 -1.21 -3.44 121.20 124.58 1ssn s ILE 128 Ca 0.42 -2.26 -0.00 0.00 0.00 0.00 0.00 60.65 58.81 1ssn s ILE 128 Cb 0.11 -4.55 0.03 0.00 0.01 0.00 0.00 42.46 38.06 1ssn s ILE 128 CO -0.02 -1.16 0.80 -0.89 0.00 0.00 0.00 174.94 173.66 1ssn s THR 129 N 0.79 2.82 -0.09 2.92 2.01 -1.22 -4.61 115.64 118.25 1ssn s THR 129 Ca 0.22 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.68 1ssn s THR 129 Cb -0.09 -3.08 -0.01 0.00 0.01 0.00 0.00 72.50 69.34 1ssn s THR 129 CO -0.09 -0.06 -0.19 -0.75 -0.69 0.00 0.00 174.62 172.84 1ssn s LYS 130 N -4.80 2.96 -0.02 4.92 2.20 -1.26 -2.67 119.74 121.06 1ssn s LYS 130 Ca 0.56 -0.79 0.06 0.00 -0.36 0.00 0.00 55.97 55.44 1ssn s LYS 130 Cb -0.10 -2.40 -0.01 0.00 -1.51 0.00 0.00 37.83 33.81 1ssn s LYS 130 CO 0.39 0.31 -0.20 0.14 -0.36 0.00 0.00 175.35 175.64 1ssn s VAL 131 N 0.05 1.57 -0.72 4.02 -7.23 -0.96 -2.05 120.40 115.08 1ssn s VAL 131 Ca -0.08 -0.83 -0.19 0.00 -1.81 0.00 0.00 61.98 59.07 1ssn s VAL 131 Cb -0.15 -1.32 0.12 0.00 0.56 0.00 0.00 36.38 35.59 1ssn s VAL 131 CO 0.05 0.45 0.88 -0.69 -0.31 0.00 0.00 175.10 175.48 1ssn s VAL 132 N -0.33 4.77 -0.47 1.32 1.01 -0.68 -1.81 120.40 124.21 1ssn s VAL 132 Ca 0.04 -1.17 -0.28 0.00 0.00 0.00 0.00 61.98 60.57 1ssn s VAL 132 Cb -0.09 -4.61 0.03 0.00 0.00 0.00 0.00 36.38 31.71 1ssn s VAL 132 CO 0.00 -1.29 1.10 -0.63 0.00 0.00 0.00 175.10 174.28 1ssn s ILE 133 N 2.72 4.26 0.20 2.22 1.01 -0.54 -2.80 121.20 128.28 1ssn s ILE 133 Ca 0.20 1.16 0.01 0.00 0.00 0.00 0.00 60.65 62.02 1ssn s ILE 133 Cb -0.16 -4.57 -0.04 0.00 0.01 0.00 0.00 42.46 37.70 1ssn s ILE 133 CO 0.01 -0.97 0.37 -1.61 0.00 0.00 0.00 174.94 172.74 1ssn s GLU 134 N 4.32 3.48 -0.14 2.79 0.41 -1.26 -4.70 118.70 123.61 1ssn s GLU 134 Ca 0.46 -0.48 -0.04 0.00 -0.41 0.00 0.00 54.97 54.50 1ssn s GLU 134 Cb -0.08 -2.87 -0.03 0.00 -1.78 0.00 0.00 34.13 29.37 1ssn s GLU 134 CO 0.31 0.42 -0.02 0.15 -0.49 0.00 0.00 175.26 175.63 1ssn s LYS 135 N -3.47 3.52 0.00 1.61 1.02 -1.26 -1.48 119.74 119.68 1ssn s LYS 135 Ca 0.37 -0.47 0.13 0.00 0.02 0.00 0.00 55.97 56.02 1ssn s LYS 135 Cb -0.11 -2.91 0.80 0.00 -0.52 0.00 0.00 37.83 35.10 1ssn s LYS 135 CO 0.29 0.37 1.23 1.17 -0.92 0.00 0.00 175.35 177.49