#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssn n SER 2 N 0.00 -0.70 -4.39 6.43 2.88 -1.26 -4.84 113.62 111.74 1ssn n SER 2 Ca 0.00 -0.95 -0.42 0.00 -1.33 0.00 0.00 58.87 56.17 1ssn n SER 2 Cb 0.00 -3.36 -0.10 0.00 -0.75 0.00 0.00 64.21 59.99 1ssn n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ssn s SER 3 N -4.34 5.88 -0.53 -3.46 0.15 -1.26 -4.79 113.70 105.34 1ssn s SER 3 Ca 0.02 -1.04 -0.28 0.00 0.70 0.00 0.00 55.95 55.35 1ssn s SER 3 Cb -0.01 -2.07 -0.00 0.00 -1.71 0.00 0.00 66.02 62.23 1ssn s SER 3 CO 0.86 -0.44 1.60 0.12 1.20 0.00 0.00 173.24 176.58 1ssn s PHE 4 N 1.59 2.04 -0.45 3.44 5.36 -1.26 -4.88 117.98 123.82 1ssn s PHE 4 Ca 0.03 0.58 0.08 0.00 -0.96 0.00 0.00 56.93 56.66 1ssn s PHE 4 Cb -0.20 -4.27 0.40 0.00 -0.34 0.00 0.00 43.02 38.61 1ssn s PHE 4 CO 0.07 -2.24 1.01 -0.25 -1.46 0.00 0.00 175.22 172.36 1ssn n ASP 5 N 10.49 3.79 0.01 6.13 8.00 -1.26 -4.69 116.55 139.02 1ssn n ASP 5 Ca 0.16 -3.49 0.00 0.00 0.71 0.00 0.00 54.79 52.18 1ssn n ASP 5 Cb 0.49 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1ssn n ASP 5 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ssn n LYS 6 N -0.29 0.00 -1.60 -1.24 4.76 -1.26 -5.13 118.16 113.41 1ssn n LYS 6 Ca 0.31 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.74 1ssn n LYS 6 Cb 0.62 -0.44 0.00 0.00 -1.84 0.00 0.00 35.03 33.37 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 2.89 -0.69 3.05 0.72 0.00 -1.26 -4.77 105.19 105.13 1ssn n GLY 7 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 1ssn n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ssn n LYS 8 N -0.55 -1.68 -2.84 1.61 4.81 -1.26 -4.95 118.16 113.29 1ssn n LYS 8 Ca 0.01 1.65 -0.33 0.00 -0.87 0.00 0.00 58.31 58.77 1ssn n LYS 8 Cb 0.09 -5.42 -0.02 0.00 0.02 0.00 0.00 35.03 29.70 1ssn n LYS 8 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1ssn n TYR 9 N -1.32 3.51 -3.84 5.64 9.36 -1.26 -5.00 117.16 124.25 1ssn n TYR 9 Ca 0.01 -3.42 -0.06 0.00 3.32 0.00 0.00 57.90 57.76 1ssn n TYR 9 Cb 0.51 -0.78 0.02 0.00 -0.63 0.00 0.00 39.34 38.45 1ssn n TYR 9 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1ssn s LYS 10 N -3.76 1.73 -1.13 2.98 0.00 -1.26 -4.62 119.74 113.68 1ssn s LYS 10 Ca 0.44 -1.10 -0.02 0.00 0.00 0.00 0.00 55.97 55.30 1ssn s LYS 10 Cb 0.24 0.49 -0.02 0.00 0.00 0.00 0.00 37.83 38.54 1ssn s LYS 10 CO -0.13 -0.81 0.95 1.17 0.00 0.00 0.00 175.35 176.54 1ssn n LYS 11 N -0.60 -5.25 0.00 1.78 4.81 -1.26 -4.97 118.16 112.67 1ssn n LYS 11 Ca -0.06 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 1ssn n LYS 11 Cb 0.60 -5.77 0.00 0.00 0.02 0.00 0.00 35.03 29.87 1ssn n LYS 11 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ssn n GLY 12 N -1.16 0.37 3.49 3.14 0.00 -1.26 -4.44 105.19 105.33 1ssn n GLY 12 Ca -0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 1ssn n GLY 12 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ssn n ASP 13 N -0.36 -5.99 -2.83 1.61 -0.08 -1.26 -1.01 116.55 106.62 1ssn n ASP 13 Ca 0.00 -0.81 -0.12 0.00 -1.51 0.00 0.00 54.79 52.35 1ssn n ASP 13 Cb 0.00 -4.01 0.06 0.00 2.34 0.00 0.00 41.12 39.51 1ssn n ASP 13 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1ssn n ASP 14 N -2.70 -3.40 -2.71 1.67 8.00 -1.26 -4.60 116.55 111.54 1ssn n ASP 14 Ca -0.09 -0.50 -0.01 0.00 0.71 0.00 0.00 54.79 54.91 1ssn n ASP 14 Cb 0.59 -4.03 -0.01 0.00 -0.02 0.00 0.00 41.12 37.66 1ssn n ASP 14 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ssn n ALA 15 N -3.15 -3.50 0.09 2.24 0.00 -1.13 -4.74 120.51 110.31 1ssn n ALA 15 Ca -0.15 0.70 -0.12 0.00 0.00 0.00 0.00 53.44 53.87 1ssn n ALA 15 Cb 0.61 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.61 1ssn n ALA 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ssn h SER 16 N 3.19 -0.68 -4.02 0.00 0.87 -1.29 -3.44 113.55 108.19 1ssn h SER 16 Ca -0.06 0.09 -0.44 0.00 -1.23 0.00 0.00 61.79 60.14 1ssn h SER 16 Cb 0.15 0.27 0.16 0.00 -0.44 0.00 0.00 62.40 62.54 1ssn h SER 16 CO 0.09 -0.31 0.34 -0.31 -0.53 0.00 0.00 176.83 176.11 1ssn s TYR 17 N -6.08 1.66 -0.37 2.24 2.02 -1.26 -4.64 117.35 110.91 1ssn s TYR 17 Ca -0.15 0.48 -0.08 0.00 -0.37 0.00 0.00 57.07 56.95 1ssn s TYR 17 Cb 0.08 -3.80 0.01 0.00 -0.40 0.00 0.00 41.96 37.85 1ssn s TYR 17 CO 0.66 -2.76 0.31 0.34 -1.57 0.00 0.00 175.55 172.52 1ssn n PHE 18 N -3.92 -3.74 -1.03 2.71 7.35 -1.26 -4.91 117.46 112.66 1ssn n PHE 18 Ca 0.13 1.58 0.11 0.00 -0.76 0.00 0.00 57.45 58.51 1ssn n PHE 18 Cb 0.60 -4.06 -0.06 0.00 0.35 0.00 0.00 39.48 36.31 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 0.19 -2.42 -1.64 -4.13 1.02 -1.26 -4.78 120.64 107.61 1ssn n GLU 19 Ca 0.06 1.97 -0.48 0.00 -0.02 0.00 0.00 57.16 58.69 1ssn n GLU 19 Cb 0.24 -2.76 -0.05 0.00 -0.02 0.00 0.00 31.44 28.85 1ssn n GLU 19 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1ssn n PRO 20 N -3.50 1.83 0.04 3.49 -0.02 -1.26 -4.89 135.00 130.68 1ssn n PRO 20 Ca -0.06 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1ssn n PRO 20 Cb 0.47 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 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 3.13 0.85 0.00 3.45 -2.24 -1.26 -5.09 114.28 113.12 1ssn n THR 21 Ca 0.17 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 62.23 1ssn n THR 21 Cb 0.26 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.02 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 3.20 -0.04 3.63 3.38 0.00 -1.26 -5.01 105.19 109.09 1ssn n GLY 22 Ca 0.00 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 1ssn n GLY 22 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ssn s PRO 23 N -2.00 0.34 0.15 1.61 0.02 -1.24 -4.65 135.00 129.22 1ssn s PRO 23 Ca 0.00 0.88 -0.17 0.00 0.02 0.00 0.00 61.00 61.73 1ssn s PRO 23 Cb 0.00 -1.70 0.04 0.00 0.02 0.00 0.00 34.50 32.86 1ssn s PRO 23 CO 0.00 -2.89 0.45 1.52 -0.33 0.00 0.00 177.00 175.75 1ssn s TYR 24 N -2.74 -0.20 -0.30 6.54 1.13 -0.69 -4.54 117.35 116.55 1ssn s TYR 24 Ca 0.66 -0.12 0.05 0.00 -1.41 0.00 0.00 57.07 56.25 1ssn s TYR 24 Cb -0.21 0.32 0.19 0.00 -1.10 0.00 0.00 41.96 41.16 1ssn s TYR 24 CO 0.60 -0.78 0.53 -1.17 -2.51 0.00 0.00 175.55 172.22 1ssn s LEU 25 N -2.82 -1.34 0.14 -3.49 0.20 -0.11 -2.45 118.68 108.81 1ssn s LEU 25 Ca 0.05 -0.09 -0.11 0.00 0.69 0.00 0.00 54.13 54.67 1ssn s LEU 25 Cb 0.01 1.71 -0.06 0.00 -0.43 0.00 0.00 46.19 47.42 1ssn s LEU 25 CO -0.09 -0.31 0.48 -0.04 -0.29 0.00 0.00 176.35 176.11 1ssn s MET 26 N 2.65 3.84 -0.37 1.98 -1.94 -0.79 -1.78 119.30 122.90 1ssn s MET 26 Ca 0.10 0.30 0.02 0.00 -1.71 0.00 0.00 55.69 54.40 1ssn s MET 26 Cb -0.10 -2.89 0.15 0.00 2.01 0.00 0.00 34.83 33.99 1ssn s MET 26 CO -0.26 0.48 0.34 0.08 -0.01 0.00 0.00 175.02 175.65 1ssn s VAL 27 N -1.52 -0.21 0.38 -6.03 1.01 -1.19 -1.54 120.40 111.29 1ssn s VAL 27 Ca 0.38 -1.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 1ssn s VAL 27 Cb -0.14 -0.77 0.04 0.00 0.00 0.00 0.00 36.38 35.51 1ssn s VAL 27 CO 0.20 -0.69 0.68 0.59 0.00 0.00 0.00 175.10 175.87 1ssn n ASN 28 N 4.16 -1.95 -4.20 3.32 4.13 -1.17 -4.66 115.26 114.89 1ssn n ASN 28 Ca 0.12 -2.69 -0.19 0.00 1.68 0.00 0.00 54.58 53.50 1ssn n ASN 28 Cb 0.43 3.34 -0.12 0.00 -1.54 0.00 0.00 39.78 41.90 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 -2.36 1.27 -0.96 2.41 -7.23 -1.26 -3.73 120.40 108.53 1ssn s VAL 29 Ca 0.20 -1.41 -0.23 0.00 -1.81 0.00 0.00 61.98 58.73 1ssn s VAL 29 Cb -0.03 -1.23 0.05 0.00 0.56 0.00 0.00 36.38 35.72 1ssn s VAL 29 CO 0.15 -0.22 1.40 -0.89 -0.31 0.00 0.00 175.10 175.23 1ssn s THR 30 N -1.36 3.94 -1.34 5.32 2.01 -1.07 -2.42 115.64 120.70 1ssn s THR 30 Ca 0.01 -0.61 -0.13 0.00 0.31 0.00 0.00 61.69 61.27 1ssn s THR 30 Cb -0.09 -5.02 0.10 0.00 0.01 0.00 0.00 72.50 67.50 1ssn s THR 30 CO 0.03 -1.90 1.93 0.61 -0.69 0.00 0.00 174.62 174.60 1ssn n GLY 31 N 6.55 4.08 3.77 4.40 0.00 -1.11 -2.30 105.19 120.59 1ssn n GLY 31 Ca 0.27 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 1ssn n GLY 31 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ssn s VAL 32 N 2.25 3.25 1.08 1.61 -7.23 -1.10 -1.21 120.40 119.05 1ssn s VAL 32 Ca 0.45 0.90 -0.18 0.00 -1.81 0.00 0.00 61.98 61.34 1ssn s VAL 32 Cb 0.09 -3.43 0.25 0.00 0.56 0.00 0.00 36.38 33.84 1ssn s VAL 32 CO -0.02 -0.05 1.25 -0.62 -0.31 0.00 0.00 175.10 175.35 1ssn s ASP 33 N -1.51 2.08 0.26 4.85 2.15 0.20 -1.62 116.67 123.08 1ssn s ASP 33 Ca 0.65 0.35 -0.02 0.00 0.43 0.00 0.00 52.55 53.96 1ssn s ASP 33 Cb -0.26 -0.41 0.57 0.00 -0.30 0.00 0.00 42.92 42.52 1ssn s ASP 33 CO 0.31 -3.38 1.66 -1.28 -0.17 0.00 0.00 175.17 172.31 1ssn h SER 34 N -2.09 -0.02 -0.80 -0.34 0.87 -1.75 -2.45 113.55 106.97 1ssn h SER 34 Ca -0.44 0.17 -0.49 0.00 -1.23 0.00 0.00 61.79 59.81 1ssn h SER 34 Cb 1.25 0.24 -0.27 0.00 -0.44 0.00 0.00 62.40 63.18 1ssn h SER 34 CO 0.33 -0.10 0.34 0.29 -0.53 0.00 0.00 176.83 177.17 1ssn n LYS 35 N -5.20 2.45 0.00 2.24 4.76 -1.26 -4.95 118.16 116.20 1ssn n LYS 35 Ca 0.17 -3.30 0.00 0.00 -2.87 0.00 0.00 58.31 52.32 1ssn n LYS 35 Cb 0.56 -2.13 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 1ssn n LYS 35 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ssn n GLY 36 N -1.02 2.93 3.69 0.72 0.00 -0.92 -4.99 105.19 105.60 1ssn n GLY 36 Ca 0.52 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.29 6.46 -0.56 1.61 0.01 -1.26 -4.00 114.94 116.91 1ssn s ASN 37 Ca 0.00 2.70 -0.27 0.00 -0.71 0.00 0.00 52.86 54.58 1ssn s ASN 37 Cb 0.00 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 39.07 1ssn s ASN 37 CO 0.00 -0.98 1.97 -0.70 -1.51 0.00 0.00 177.10 175.87 1ssn s GLU 38 N 2.81 2.59 -0.03 -0.60 2.12 -1.26 -0.63 118.70 123.69 1ssn s GLU 38 Ca 0.80 0.86 -0.26 0.00 0.36 0.00 0.00 54.97 56.72 1ssn s GLU 38 Cb -0.45 -4.41 -0.21 0.00 0.26 0.00 0.00 34.13 29.33 1ssn s GLU 38 CO 0.36 -2.76 1.21 -0.07 -0.54 0.00 0.00 175.26 173.46 1ssn h LEU 39 N 16.81 -0.00 -8.44 2.70 3.38 -1.49 -3.46 115.31 124.81 1ssn h LEU 39 Ca -0.26 -0.53 -0.41 0.00 0.09 0.00 0.00 57.88 56.76 1ssn h LEU 39 Cb 1.18 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.73 1ssn h LEU 39 CO 1.19 0.53 -0.78 -1.48 0.09 0.00 0.00 178.44 177.99 1ssn s LEU 40 N -9.13 2.30 0.33 1.67 0.05 -1.24 -4.20 118.68 108.45 1ssn s LEU 40 Ca -0.16 -0.65 -0.20 0.00 0.05 0.00 0.00 54.13 53.17 1ssn s LEU 40 Cb 0.01 -0.52 -0.10 0.00 -2.05 0.00 0.00 46.19 43.53 1ssn s LEU 40 CO 0.67 -0.09 0.84 -0.55 -0.55 0.00 0.00 176.35 176.68 1ssn s SER 41 N -1.86 7.01 -0.00 1.48 0.15 -1.26 -2.73 113.70 116.49 1ssn s SER 41 Ca -0.00 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.20 1ssn s SER 41 Cb -0.09 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1ssn s SER 41 CO 0.02 -0.17 0.88 -0.81 1.20 0.00 0.00 173.24 174.37 1ssn n PRO 42 N 0.01 1.00 -3.64 5.44 -0.04 -1.02 -4.06 135.00 132.69 1ssn n PRO 42 Ca 0.03 -0.01 -0.04 0.00 -0.04 0.00 0.00 63.50 63.44 1ssn n PRO 42 Cb 0.52 -1.12 -0.07 0.00 -0.04 0.00 0.00 33.50 32.79 1ssn n PRO 42 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1ssn s HIS 43 N -0.25 -0.55 0.00 0.54 -3.43 -1.26 -4.53 115.29 105.82 1ssn s HIS 43 Ca 0.00 1.14 0.00 0.00 -0.80 0.00 0.00 55.06 55.40 1ssn s HIS 43 Cb 0.00 0.36 0.00 0.00 -1.43 0.00 0.00 32.58 31.51 1ssn s HIS 43 CO 0.00 -0.27 0.00 0.98 -2.00 0.00 0.00 174.74 173.45 1ssn n TYR 44 N 3.34 -1.39 -3.36 0.38 9.36 -1.26 -4.42 117.16 119.81 1ssn n TYR 44 Ca -0.17 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.71 1ssn n TYR 44 Cb 0.57 0.28 -0.06 0.00 -0.63 0.00 0.00 39.34 39.50 1ssn n TYR 44 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1ssn s VAL 45 N -0.75 4.86 0.17 2.97 0.11 -1.26 -4.03 120.40 122.47 1ssn s VAL 45 Ca 0.00 0.72 -0.04 0.00 -2.93 0.00 0.00 61.98 59.73 1ssn s VAL 45 Cb 0.00 -3.69 -0.03 0.00 -1.53 0.00 0.00 36.38 31.13 1ssn s VAL 45 CO 0.00 0.10 0.17 -1.83 -3.33 0.00 0.00 175.10 170.21 1ssn s GLU 46 N -2.33 1.10 0.00 1.54 -1.05 -1.26 -3.19 118.70 113.51 1ssn s GLU 46 Ca 0.42 -1.40 -0.01 0.00 -0.15 0.00 0.00 54.97 53.83 1ssn s GLU 46 Cb -0.13 0.30 -0.01 0.00 -0.44 0.00 0.00 34.13 33.85 1ssn s GLU 46 CO 0.20 -0.36 0.02 -0.06 0.95 0.00 0.00 175.26 176.01 1ssn s PHE 47 N -4.05 0.08 -1.55 4.83 0.08 -0.73 -4.94 117.98 111.70 1ssn s PHE 47 Ca 0.26 -0.16 -0.12 0.00 0.12 0.00 0.00 56.93 57.03 1ssn s PHE 47 Cb 0.06 -0.07 -0.03 0.00 -0.57 0.00 0.00 43.02 42.41 1ssn s PHE 47 CO 0.04 -0.11 2.61 -0.35 -0.10 0.00 0.00 175.22 177.32 1ssn n PRO 48 N 2.34 3.31 -1.93 0.24 -0.04 -1.26 -0.93 135.00 136.72 1ssn n PRO 48 Ca -0.18 -2.40 0.00 0.00 -0.04 0.00 0.00 63.50 60.89 1ssn n PRO 48 Cb 0.58 -3.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 1ssn n PRO 48 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1ssn n ILE 49 N 4.29 0.00 -3.91 0.52 3.06 -1.26 -4.86 119.36 117.21 1ssn n ILE 49 Ca 0.66 0.00 -0.29 0.00 -2.50 0.00 0.00 62.75 60.62 1ssn n ILE 49 Cb 0.31 -1.43 -0.12 0.00 0.54 0.00 0.00 39.64 38.93 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 0.00 2.38 0.03 9.51 1.02 -1.26 -5.07 119.74 126.35 1ssn s LYS 50 Ca 0.00 -3.20 -0.00 0.00 0.02 0.00 0.00 55.97 52.79 1ssn s LYS 50 Cb 0.00 -3.41 0.01 0.00 -0.52 0.00 0.00 37.83 33.90 1ssn s LYS 50 CO 0.00 -1.25 0.04 -0.35 -0.92 0.00 0.00 175.35 172.87 1ssn n PRO 51 N 2.22 0.11 0.00 -1.68 -0.04 -1.26 -4.63 135.00 129.71 1ssn n PRO 51 Ca 0.17 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1ssn n PRO 51 Cb 0.34 -0.04 0.00 0.00 -0.04 0.00 0.00 33.50 33.77 1ssn n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ssn n GLY 52 N 4.73 3.09 3.75 0.55 0.00 -0.92 -5.03 105.19 111.37 1ssn n GLY 52 Ca 0.01 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.70 2.78 0.56 2.61 -1.32 -1.26 -4.59 115.64 113.71 1ssn s THR 53 Ca 0.00 0.42 -0.19 0.00 -1.21 0.00 0.00 61.69 60.71 1ssn s THR 53 Cb 0.00 -3.03 -0.05 0.00 -1.51 0.00 0.00 72.50 67.90 1ssn s THR 53 CO 0.00 -0.17 1.14 -0.89 -2.21 0.00 0.00 174.62 172.49 1ssn s THR 54 N -1.94 3.10 -0.29 5.08 2.01 -1.26 -2.91 115.64 119.43 1ssn s THR 54 Ca 0.73 0.68 0.01 0.00 0.31 0.00 0.00 61.69 63.41 1ssn s THR 54 Cb -0.26 -3.26 0.09 0.00 0.01 0.00 0.00 72.50 69.07 1ssn s THR 54 CO 0.38 -0.16 0.05 -0.22 -0.69 0.00 0.00 174.62 173.98 1ssn s LEU 55 N -3.90 2.94 0.32 4.42 2.96 -0.47 -4.92 118.68 120.03 1ssn s LEU 55 Ca 0.73 -1.62 -0.08 0.00 -0.22 0.00 0.00 54.13 52.93 1ssn s LEU 55 Cb -0.24 -1.13 0.01 0.00 0.50 0.00 0.00 46.19 45.33 1ssn s LEU 55 CO 0.28 -0.36 0.54 0.28 -1.32 0.00 0.00 176.35 175.78 1ssn s THR 56 N 1.39 0.00 0.09 3.68 -1.32 -1.26 -3.36 115.64 114.86 1ssn s THR 56 Ca 0.06 -1.42 -0.20 0.00 -1.21 0.00 0.00 61.69 58.92 1ssn s THR 56 Cb -0.18 -2.56 -0.08 0.00 -1.51 0.00 0.00 72.50 68.16 1ssn s THR 56 CO -0.15 0.00 1.64 0.50 -2.21 0.00 0.00 174.62 174.40 1ssn h LYS 57 N 2.13 0.30 -0.04 7.08 3.64 -1.84 -1.92 116.57 125.93 1ssn h LYS 57 Ca -0.28 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 58.97 1ssn h LYS 57 Cb 1.24 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1ssn h LYS 57 CO 0.38 0.36 -0.33 1.05 -2.27 0.00 0.00 179.45 178.64 1ssn h GLU 58 N 0.18 0.08 0.37 1.90 -0.00 -1.92 -1.18 114.58 114.01 1ssn h GLU 58 Ca 0.07 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.36 59.38 1ssn h GLU 58 Cb 0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 28.92 1ssn h GLU 58 CO -0.01 0.40 -0.18 0.87 -0.00 0.00 0.00 179.01 180.10 1ssn h LYS 59 N 0.07 -0.47 -0.43 1.06 1.79 -1.89 -3.28 116.57 113.41 1ssn h LYS 59 Ca 0.01 0.03 0.09 0.00 -2.18 0.00 0.00 60.65 58.60 1ssn h LYS 59 Cb 0.62 0.11 -0.08 0.00 -1.58 0.00 0.00 32.23 31.29 1ssn h LYS 59 CO 0.05 -0.20 -0.10 0.82 -1.08 0.00 0.00 179.45 178.94 1ssn h ILE 60 N -0.71 0.58 -0.54 1.86 1.08 -1.04 -1.71 117.51 117.04 1ssn h ILE 60 Ca -0.05 -0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.50 1ssn h ILE 60 Cb 0.50 0.57 -0.10 0.00 -3.07 0.00 0.00 36.82 34.71 1ssn h ILE 60 CO 0.08 0.00 -0.44 -0.33 -0.69 0.00 0.00 178.15 176.78 1ssn h GLU 61 N 0.01 -0.24 -0.03 2.37 5.08 -1.28 -0.94 114.58 119.55 1ssn h GLU 61 Ca 0.21 0.02 -0.23 0.00 -1.00 0.00 0.00 59.36 58.35 1ssn h GLU 61 Cb 0.32 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.63 1ssn h GLU 61 CO -0.43 -0.16 -0.92 0.10 -1.00 0.00 0.00 179.01 176.59 1ssn h TYR 62 N -0.25 0.76 -0.08 4.33 -0.00 -1.62 -3.24 116.97 116.86 1ssn h TYR 62 Ca 0.17 -0.39 -0.02 0.00 0.00 0.00 0.00 58.73 58.49 1ssn h TYR 62 Cb 0.57 -0.09 -0.00 0.00 0.00 0.00 0.00 36.73 37.20 1ssn h TYR 62 CO -0.69 1.21 -0.01 -0.92 -0.00 0.00 0.00 178.16 177.75 1ssn h TYR 63 N 0.31 0.16 -0.15 0.10 3.20 -0.53 -0.92 116.97 119.13 1ssn h TYR 63 Ca -0.08 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.66 1ssn h TYR 63 Cb 1.55 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.77 1ssn h TYR 63 CO 0.07 0.45 -0.34 -0.39 -1.64 0.00 0.00 178.16 176.32 1ssn h VAL 64 N -0.18 1.28 -0.60 1.81 -1.51 -1.37 -1.79 116.25 113.88 1ssn h VAL 64 Ca 0.02 -1.37 -0.07 0.00 -1.23 0.00 0.00 66.70 64.05 1ssn h VAL 64 Cb 0.40 1.54 -0.02 0.00 -2.13 0.00 0.00 31.29 31.08 1ssn h VAL 64 CO 0.01 0.42 0.10 -0.08 -1.23 0.00 0.00 177.57 176.78 1ssn h GLU 65 N 0.26 1.00 -0.21 5.19 4.81 -1.54 -2.12 114.58 121.97 1ssn h GLU 65 Ca 0.03 -0.27 -0.13 0.00 -0.13 0.00 0.00 59.36 58.87 1ssn h GLU 65 Cb 0.73 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1ssn h GLU 65 CO 0.06 0.94 -0.41 -1.49 -0.73 0.00 0.00 179.01 177.37 1ssn h TRP 66 N 0.90 0.58 -0.11 0.92 -0.00 -1.00 -2.16 115.95 115.09 1ssn h TRP 66 Ca 0.18 -0.17 -0.01 0.00 -0.00 0.00 0.00 58.89 58.90 1ssn h TRP 66 Cb 0.42 -0.13 -0.00 0.00 -0.00 0.00 0.00 29.16 29.45 1ssn h TRP 66 CO 0.03 0.83 0.04 0.00 -0.00 0.00 0.00 178.44 179.34 1ssn h ALA 67 N 1.15 0.14 0.00 1.49 0.00 -1.09 -2.77 119.26 118.19 1ssn h ALA 67 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ssn h ALA 67 Cb 0.90 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ssn h ALA 67 CO 0.08 -0.25 0.00 1.37 0.00 0.00 0.00 179.25 180.44 1ssn h LEU 68 N 0.00 0.00 -0.34 0.00 8.10 -1.43 -2.69 115.31 118.95 1ssn h LEU 68 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.03 1ssn h LEU 68 Cb 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.42 1ssn h LEU 68 CO -0.00 0.00 0.00 0.47 -4.11 0.00 0.00 178.44 174.80 1ssn n ASP 69 N -3.09 0.29 -0.04 0.17 8.00 -0.81 -1.22 116.55 119.85 1ssn n ASP 69 Ca 0.01 -1.73 -0.16 0.00 0.71 0.00 0.00 54.79 53.63 1ssn n ASP 69 Cb 0.36 -0.15 -0.07 0.00 -0.02 0.00 0.00 41.12 41.25 1ssn n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ssn h ALA 70 N 2.43 0.32 0.00 2.24 0.00 -1.48 -3.41 119.26 119.37 1ssn h ALA 70 Ca 0.00 -0.53 -0.39 0.00 0.00 0.00 0.00 54.91 53.99 1ssn h ALA 70 Cb 0.15 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1ssn h ALA 70 CO 0.00 0.56 -2.29 0.25 0.00 0.00 0.00 179.25 177.77 1ssn n THR 71 N -4.08 1.27 0.00 0.00 -2.24 -0.91 -4.94 114.28 103.38 1ssn n THR 71 Ca -0.07 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1ssn n THR 71 Cb 0.65 -1.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.09 1ssn n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ssn n ALA 72 N -3.99 0.00 -1.21 6.98 0.00 -0.35 -4.79 120.51 117.15 1ssn n ALA 72 Ca -0.45 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 52.89 1ssn n ALA 72 Cb 0.83 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.24 1ssn n ALA 72 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1ssn n TYR 73 N -0.23 -0.34 0.00 0.00 0.18 -1.26 -4.62 117.16 110.88 1ssn n TYR 73 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1ssn n TYR 73 Cb 0.00 -2.25 0.00 0.00 -0.38 0.00 0.00 39.34 36.71 1ssn n TYR 73 CO 0.00 0.00 0.00 1.17 -2.08 0.00 0.00 176.86 175.95 1ssn n LYS 74 N -1.37 0.00 -0.11 -3.48 4.81 -1.26 -5.06 118.16 111.69 1ssn n LYS 74 Ca -0.10 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.15 1ssn n LYS 74 Cb 0.38 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.36 1ssn n LYS 74 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1ssn n GLU 75 N -0.90 0.55 -1.43 1.64 2.13 -1.26 -5.00 120.64 116.37 1ssn n GLU 75 Ca 0.00 0.33 -0.42 0.00 0.66 0.00 0.00 57.16 57.73 1ssn n GLU 75 Cb 0.00 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 30.18 1ssn n GLU 75 CO 0.00 0.00 0.00 1.97 -0.41 0.00 0.00 177.13 178.69 1ssn n PHE 76 N -4.39 -0.68 -0.04 4.31 -1.74 -1.26 -3.82 117.46 109.84 1ssn n PHE 76 Ca -0.32 0.62 -0.02 0.00 -0.56 0.00 0.00 57.45 57.16 1ssn n PHE 76 Cb 0.66 -1.97 -0.01 0.00 1.52 0.00 0.00 39.48 39.69 1ssn n PHE 76 CO 0.00 0.00 0.00 -0.09 -0.56 0.00 0.00 176.76 176.11 1ssn h ARG 77 N 0.76 0.00 -3.81 3.97 9.65 -1.65 -3.45 114.38 119.85 1ssn h ARG 77 Ca -0.39 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 1ssn h ARG 77 Cb 1.41 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.95 1ssn h ARG 77 CO 0.51 0.00 -0.57 0.28 2.80 0.00 0.00 179.97 182.99 1ssn n VAL 78 N -3.90 -6.70 0.09 0.20 0.31 -1.26 -4.98 118.33 102.09 1ssn n VAL 78 Ca -0.03 1.01 -0.04 0.00 -0.01 0.00 0.00 64.34 65.27 1ssn n VAL 78 Cb 0.10 -4.86 -0.02 0.00 -0.91 0.00 0.00 33.84 28.15 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 1.51 0.00 -1.87 2.52 2.07 -1.50 -3.49 116.25 115.49 1ssn h VAL 79 Ca -0.16 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.11 1ssn h VAL 79 Cb 0.37 0.00 -0.23 0.00 -1.52 0.00 0.00 31.29 29.91 1ssn h VAL 79 CO 0.01 0.00 0.18 -0.70 0.02 0.00 0.00 177.57 177.09 1ssn s GLU 80 N -2.54 0.69 0.42 1.57 2.56 -1.25 -5.05 118.70 115.10 1ssn s GLU 80 Ca -0.04 0.96 -0.15 0.00 0.00 0.00 0.00 54.97 55.75 1ssn s GLU 80 Cb 0.00 0.26 -0.08 0.00 2.00 0.00 0.00 34.13 36.31 1ssn s GLU 80 CO 0.11 -0.11 0.84 -0.48 -0.56 0.00 0.00 175.26 175.07 1ssn s LEU 81 N 0.85 3.85 0.29 2.70 2.34 -1.26 -2.78 118.68 124.68 1ssn s LEU 81 Ca -0.04 1.36 -0.22 0.00 0.06 0.00 0.00 54.13 55.29 1ssn s LEU 81 Cb -0.05 -4.23 -0.09 0.00 -0.56 0.00 0.00 46.19 41.26 1ssn s LEU 81 CO -0.09 -0.39 0.84 -1.81 -1.06 0.00 0.00 176.35 173.84 1ssn s ASP 82 N -2.78 7.13 0.40 1.48 1.11 -0.91 -4.97 116.67 118.13 1ssn s ASP 82 Ca 0.55 1.60 0.29 0.00 0.18 0.00 0.00 52.55 55.17 1ssn s ASP 82 Cb -0.10 -2.49 1.22 0.00 1.07 0.00 0.00 42.92 42.62 1ssn s ASP 82 CO 0.25 -0.07 1.85 1.55 1.18 0.00 0.00 175.17 179.94 1ssn h PRO 83 N 3.06 0.00 -3.02 8.23 0.13 -1.98 -3.35 132.00 135.07 1ssn h PRO 83 Ca -0.48 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.96 1ssn h PRO 83 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1ssn h PRO 83 CO 0.65 0.00 3.29 0.45 -0.23 0.00 0.00 178.00 182.16 1ssn n SER 84 N -2.63 7.91 -4.76 1.44 2.88 -1.26 -4.88 113.62 112.31 1ssn n SER 84 Ca 0.01 -2.79 -0.40 0.00 -1.33 0.00 0.00 58.87 54.37 1ssn n SER 84 Cb 0.24 -1.51 -0.04 0.00 -0.75 0.00 0.00 64.21 62.15 1ssn n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ssn s ALA 85 N 1.23 3.34 -0.13 -1.46 0.00 -1.26 -4.58 121.76 118.91 1ssn s ALA 85 Ca 0.62 0.88 -0.07 0.00 0.00 0.00 0.00 51.96 53.38 1ssn s ALA 85 Cb 0.17 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 20.02 1ssn s ALA 85 CO -0.07 -0.21 0.31 -1.59 0.00 0.00 0.00 175.76 174.21 1ssn s LYS 86 N -1.68 0.30 -0.26 0.00 -2.85 -1.05 -3.47 119.74 110.72 1ssn s LYS 86 Ca 0.48 0.61 -0.29 0.00 -1.00 0.00 0.00 55.97 55.76 1ssn s LYS 86 Cb -0.31 -0.04 -0.00 0.00 -2.06 0.00 0.00 37.83 35.42 1ssn s LYS 86 CO 0.39 -0.14 1.28 0.42 0.10 0.00 0.00 175.35 177.40 1ssn s ILE 87 N 1.14 4.20 -0.90 3.79 1.09 -0.19 -3.15 121.20 127.17 1ssn s ILE 87 Ca -0.08 1.38 0.00 0.00 -1.10 0.00 0.00 60.65 60.85 1ssn s ILE 87 Cb -0.08 -4.13 0.29 0.00 -1.06 0.00 0.00 42.46 37.48 1ssn s ILE 87 CO -0.09 -0.38 1.24 -0.62 -0.10 0.00 0.00 174.94 174.99 1ssn n GLU 88 N 7.10 3.85 -2.03 2.79 -0.58 -0.86 -2.33 120.64 128.59 1ssn n GLU 88 Ca 0.14 -4.62 -0.43 0.00 -0.42 0.00 0.00 57.16 51.83 1ssn n GLU 88 Cb 0.46 -2.41 -0.03 0.00 -0.57 0.00 0.00 31.44 28.90 1ssn n GLU 88 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ssn s VAL 89 N -2.89 3.58 -0.74 2.62 0.11 -1.20 -3.29 120.40 118.58 1ssn s VAL 89 Ca 0.35 0.65 -0.04 0.00 -2.93 0.00 0.00 61.98 60.01 1ssn s VAL 89 Cb 0.10 -3.58 0.19 0.00 -1.53 0.00 0.00 36.38 31.56 1ssn s VAL 89 CO 0.04 -0.24 0.59 -0.89 -3.33 0.00 0.00 175.10 171.27 1ssn s THR 90 N 5.39 4.18 -0.94 5.04 2.01 -0.74 -2.63 115.64 127.95 1ssn s THR 90 Ca 0.75 -3.17 -0.14 0.00 0.31 0.00 0.00 61.69 59.45 1ssn s THR 90 Cb -0.27 -3.66 0.22 0.00 0.01 0.00 0.00 72.50 68.80 1ssn s THR 90 CO 0.31 -0.96 0.95 -0.72 -0.69 0.00 0.00 174.62 173.50 1ssn s TYR 91 N -0.43 3.76 -1.09 4.92 -0.85 -1.26 -2.07 117.35 120.34 1ssn s TYR 91 Ca 0.20 -2.07 -0.22 0.00 -0.52 0.00 0.00 57.07 54.46 1ssn s TYR 91 Cb -0.15 -3.93 -0.00 0.00 0.38 0.00 0.00 41.96 38.25 1ssn s TYR 91 CO -0.07 -1.09 1.76 -0.47 -1.52 0.00 0.00 175.55 174.17 1ssn s TYR 92 N 0.33 2.25 -0.49 -3.49 5.04 -1.25 -3.25 117.35 116.50 1ssn s TYR 92 Ca 0.25 -0.30 0.07 0.00 -2.44 0.00 0.00 57.07 54.65 1ssn s TYR 92 Cb -0.09 -4.37 0.24 0.00 0.35 0.00 0.00 41.96 38.09 1ssn s TYR 92 CO -0.08 -1.68 0.57 -3.47 -1.34 0.00 0.00 175.55 169.54 1ssn n ASP 93 N 11.48 1.35 0.24 4.32 -0.08 -1.26 -4.34 116.55 128.25 1ssn n ASP 93 Ca 0.41 -2.91 0.17 0.00 -1.51 0.00 0.00 54.79 50.95 1ssn n ASP 93 Cb 0.48 -0.65 0.78 0.00 2.34 0.00 0.00 41.12 44.07 1ssn n ASP 93 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1ssn h LYS 94 N 4.32 0.00 -0.30 -0.67 2.10 -1.88 0.15 116.57 120.29 1ssn h LYS 94 Ca 0.14 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.84 1ssn h LYS 94 Cb 0.81 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.12 1ssn h LYS 94 CO 0.58 0.00 0.21 -0.91 -2.00 0.00 0.00 179.45 177.33 1ssn h ASN 95 N 0.00 0.15 0.00 7.07 2.35 -2.00 -3.41 115.58 119.74 1ssn h ASN 95 Ca 0.08 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1ssn h ASN 95 Cb 0.84 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.18 1ssn h ASN 95 CO -0.00 0.10 0.00 2.29 -1.65 0.00 0.00 177.43 178.17 1ssn n LYS 96 N -4.48 0.00 -0.07 0.81 0.00 -0.86 -5.04 118.16 108.52 1ssn n LYS 96 Ca 0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.28 1ssn n LYS 96 Cb 0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.25 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 0.00 0.00 -1.58 3.64 -1.38 -3.51 116.57 113.73 1ssn h LYS 97 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ssn h LYS 97 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ssn h LYS 97 CO 0.00 0.16 0.00 1.17 -2.27 0.00 0.00 179.45 178.51 1ssn n LYS 98 N -4.63 0.00 -1.92 1.90 4.81 -0.11 -4.86 118.16 113.35 1ssn n LYS 98 Ca -0.09 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.01 1ssn n LYS 98 Cb 0.26 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.28 1ssn n LYS 98 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1ssn s GLU 99 N -2.90 2.45 -0.16 1.64 2.12 -1.20 -4.37 118.70 116.29 1ssn s GLU 99 Ca 0.00 0.61 0.02 0.00 0.36 0.00 0.00 54.97 55.96 1ssn s GLU 99 Cb 0.00 -4.56 0.01 0.00 0.26 0.00 0.00 34.13 29.85 1ssn s GLU 99 CO 0.00 -3.04 -0.20 -1.21 -0.54 0.00 0.00 175.26 170.28 1ssn s GLU 100 N 7.38 3.05 -1.14 4.30 8.01 -1.26 -4.96 118.70 134.08 1ssn s GLU 100 Ca 0.75 -0.83 -0.16 0.00 0.01 0.00 0.00 54.97 54.74 1ssn s GLU 100 Cb -0.13 -2.52 0.14 0.00 -4.31 0.00 0.00 34.13 27.32 1ssn s GLU 100 CO 0.18 -0.07 1.39 0.99 0.01 0.00 0.00 175.26 177.76 1ssn s THR 101 N 0.96 4.79 -0.17 3.63 2.01 -1.26 -4.06 115.64 121.54 1ssn s THR 101 Ca -0.03 -2.19 -0.29 0.00 0.31 0.00 0.00 61.69 59.48 1ssn s THR 101 Cb -0.15 -4.92 -0.01 0.00 0.01 0.00 0.00 72.50 67.43 1ssn s THR 101 CO -0.05 -1.66 1.27 -0.75 -0.69 0.00 0.00 174.62 172.75 1ssn s LYS 102 N 2.35 4.22 -1.34 4.92 2.36 -1.08 -4.83 119.74 126.33 1ssn s LYS 102 Ca 0.42 1.65 -0.14 0.00 -2.55 0.00 0.00 55.97 55.35 1ssn s LYS 102 Cb -0.02 -3.77 0.09 0.00 -1.05 0.00 0.00 37.83 33.07 1ssn s LYS 102 CO -0.02 -0.73 1.89 0.43 1.55 0.00 0.00 175.35 178.48 1ssn n SER 103 N 6.66 4.63 -4.72 1.43 7.64 -1.26 -3.25 113.62 124.74 1ssn n SER 103 Ca 0.14 -2.93 -0.41 0.00 1.01 0.00 0.00 58.87 56.67 1ssn n SER 103 Cb 0.45 -1.64 -0.04 0.00 -1.01 0.00 0.00 64.21 61.96 1ssn n SER 103 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1ssn s PHE 104 N 2.79 3.75 0.00 1.43 5.36 -0.98 -4.99 117.98 125.34 1ssn s PHE 104 Ca 0.47 1.73 0.00 0.00 -0.96 0.00 0.00 56.93 58.17 1ssn s PHE 104 Cb 0.07 -3.05 0.00 0.00 -0.34 0.00 0.00 43.02 39.70 1ssn s PHE 104 CO -0.00 0.14 0.00 -0.35 -1.46 0.00 0.00 175.22 173.54 1ssn n PRO 105 N 3.18 0.00 -3.47 10.12 -0.04 -1.26 -1.02 135.00 142.50 1ssn n PRO 105 Ca 0.03 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.34 1ssn n PRO 105 Cb 0.50 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.92 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 0.10 0.00 -0.04 0.52 1.10 -1.23 -3.42 121.20 118.24 1ssn s ILE 106 Ca 0.00 -0.01 0.05 0.00 -0.51 0.00 0.00 60.65 60.18 1ssn s ILE 106 Cb 0.00 -1.00 -0.01 0.00 0.15 0.00 0.00 42.46 41.60 1ssn s ILE 106 CO 0.00 -0.00 -0.20 0.42 -2.11 0.00 0.00 174.94 173.04 1ssn s THR 107 N -2.57 1.64 0.21 4.00 -4.23 -1.26 -5.03 115.64 108.40 1ssn s THR 107 Ca -0.05 -0.85 0.03 0.00 -1.18 0.00 0.00 61.69 59.64 1ssn s THR 107 Cb -0.01 -1.39 -0.08 0.00 1.34 0.00 0.00 72.50 72.37 1ssn s THR 107 CO -0.02 0.46 1.50 -0.33 -0.54 0.00 0.00 174.62 175.69 1ssn h GLU 108 N 6.01 0.25 0.00 3.99 5.08 -1.96 -2.80 114.58 125.16 1ssn h GLU 108 Ca -0.34 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 57.81 1ssn h GLU 108 Cb 1.16 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1ssn h GLU 108 CO 0.48 0.84 -0.05 1.57 -1.00 0.00 0.00 179.01 180.85 1ssn h LYS 109 N 0.18 0.00 -0.34 2.33 5.09 -1.97 -3.43 116.57 118.42 1ssn h LYS 109 Ca -0.02 0.00 0.04 0.00 0.09 0.00 0.00 60.65 60.76 1ssn h LYS 109 Cb 1.23 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.55 1ssn h LYS 109 CO 0.11 0.05 -0.07 0.41 -2.09 0.00 0.00 179.45 177.85 1ssn n GLY 110 N -0.23 -1.68 3.63 0.07 0.00 -1.06 -5.05 105.19 100.88 1ssn n GLY 110 Ca -0.00 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 1ssn n GLY 110 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ssn s PHE 111 N -1.63 -0.83 0.02 1.61 -0.71 -1.21 -4.99 117.98 110.23 1ssn s PHE 111 Ca 0.00 1.87 -0.30 0.00 -1.04 0.00 0.00 56.93 57.45 1ssn s PHE 111 Cb 0.00 0.40 -0.06 0.00 -1.21 0.00 0.00 43.02 42.16 1ssn s PHE 111 CO 0.00 -0.41 1.36 0.08 -1.34 0.00 0.00 175.22 174.92 1ssn s VAL 112 N 0.83 3.72 -0.10 -2.49 1.01 -1.26 -1.37 120.40 120.73 1ssn s VAL 112 Ca -0.03 1.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.79 1ssn s VAL 112 Cb -0.05 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1ssn s VAL 112 CO -0.08 0.02 1.35 -0.69 0.00 0.00 0.00 175.10 175.70 1ssn s VAL 113 N 2.03 4.06 0.00 2.92 1.01 -1.15 -4.97 120.40 124.30 1ssn s VAL 113 Ca 0.63 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.93 1ssn s VAL 113 Cb -0.32 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1ssn s VAL 113 CO 0.27 -0.08 0.00 -0.81 0.00 0.00 0.00 175.10 174.48 1ssn n PRO 114 N 6.30 0.00 -3.21 2.72 -0.04 -1.26 -2.16 135.00 137.34 1ssn n PRO 114 Ca 0.14 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.64 1ssn n PRO 114 Cb 0.44 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.89 1ssn n PRO 114 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ssn s ASP 115 N -1.03 -1.12 -0.74 3.54 2.15 -1.26 -4.38 116.67 113.83 1ssn s ASP 115 Ca 0.00 0.81 -0.22 0.00 0.43 0.00 0.00 52.55 53.57 1ssn s ASP 115 Cb 0.00 1.98 0.08 0.00 -0.30 0.00 0.00 42.92 44.68 1ssn s ASP 115 CO 0.00 -0.21 1.03 -0.22 -0.17 0.00 0.00 175.17 175.60 1ssn s LEU 116 N 2.86 4.48 -0.37 -1.34 1.98 -1.26 -4.83 118.68 120.20 1ssn s LEU 116 Ca 0.12 -1.25 -0.03 0.00 -2.89 0.00 0.00 54.13 50.08 1ssn s LEU 116 Cb -0.13 -2.42 0.19 0.00 0.66 0.00 0.00 46.19 44.49 1ssn s LEU 116 CO -0.18 -1.37 0.94 -0.55 -1.89 0.00 0.00 176.35 173.30 1ssn s SER 117 N 3.73 -0.70 0.00 3.68 0.15 -1.26 -4.70 113.70 114.61 1ssn s SER 117 Ca 0.26 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1ssn s SER 117 Cb -0.13 0.90 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 1ssn s SER 117 CO 0.05 -0.06 0.00 1.21 1.20 0.00 0.00 173.24 175.64 1ssn n GLU 118 N 3.52 0.00 -0.11 5.44 0.00 -1.26 -5.01 120.64 123.23 1ssn n GLU 118 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 57.05 1ssn n GLU 118 Cb 0.62 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.97 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 -2.28 0.72 -3.81 4.31 1.44 -1.26 -4.97 115.22 109.36 1ssn n HIS 119 Ca 0.00 0.31 -0.22 0.00 -2.01 0.00 0.00 57.72 55.80 1ssn n HIS 119 Cb 0.00 -0.99 -0.05 0.00 0.12 0.00 0.00 29.99 29.07 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 -2.41 2.65 0.00 0.61 -4.36 -1.26 -5.01 121.20 111.42 1ssn s ILE 120 Ca -0.29 -1.49 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 1ssn s ILE 120 Cb 0.07 -3.01 0.00 0.00 1.25 0.00 0.00 42.46 40.77 1ssn s ILE 120 CO 0.50 -0.03 0.53 2.29 0.24 0.00 0.00 174.94 178.47 1ssn n LYS 121 N -1.40 0.00 -3.17 0.37 -0.00 -1.26 -3.98 118.16 108.72 1ssn n LYS 121 Ca 0.01 -0.10 -0.20 0.00 -0.00 0.00 0.00 58.31 58.02 1ssn n LYS 121 Cb 0.62 -0.05 -0.04 0.00 -0.00 0.00 0.00 35.03 35.56 1ssn n LYS 121 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1ssn n ASN 122 N 0.00 1.10 -4.47 -5.58 0.23 -1.26 -3.74 115.26 101.55 1ssn n ASN 122 Ca 0.00 -3.03 -0.29 0.00 -0.53 0.00 0.00 54.58 50.73 1ssn n ASN 122 Cb 0.52 -0.62 0.17 0.00 -2.08 0.00 0.00 39.78 37.78 1ssn n ASN 122 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1ssn s PRO 123 N -2.35 0.41 -0.40 -0.53 0.04 -1.26 -3.92 135.00 126.98 1ssn s PRO 123 Ca 0.40 0.16 0.08 0.00 0.04 0.00 0.00 61.00 61.68 1ssn s PRO 123 Cb 0.32 -1.77 0.26 0.00 0.04 0.00 0.00 34.50 33.35 1ssn s PRO 123 CO -0.09 -2.67 0.61 0.41 0.04 0.00 0.00 177.00 175.31 1ssn n GLY 124 N -1.93 2.49 3.56 0.56 0.00 -0.88 -1.70 105.19 107.30 1ssn n GLY 124 Ca 0.09 -1.30 -0.19 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.03 1.41 -0.54 1.61 0.40 -1.03 -1.80 117.98 117.01 1ssn s PHE 125 Ca 0.35 1.47 -0.16 0.00 -0.60 0.00 0.00 56.93 57.99 1ssn s PHE 125 Cb 0.20 -3.67 0.12 0.00 0.51 0.00 0.00 43.02 40.19 1ssn s PHE 125 CO -0.12 -1.55 0.51 -0.80 0.70 0.00 0.00 175.22 173.95 1ssn s ASN 126 N 9.52 6.18 -0.88 1.36 0.01 -1.21 -1.88 114.94 128.05 1ssn s ASN 126 Ca 0.83 -1.70 -0.22 0.00 -0.71 0.00 0.00 52.86 51.06 1ssn s ASN 126 Cb -0.10 -2.22 0.08 0.00 0.41 0.00 0.00 41.25 39.43 1ssn s ASN 126 CO 0.06 -0.86 1.23 -0.76 -1.51 0.00 0.00 177.10 175.26 1ssn s LEU 127 N 1.70 4.11 -0.15 0.60 2.01 -0.59 -2.03 118.68 124.34 1ssn s LEU 127 Ca 0.04 -1.40 -0.10 0.00 0.01 0.00 0.00 54.13 52.69 1ssn s LEU 127 Cb -0.29 -2.48 -0.05 0.00 0.01 0.00 0.00 46.19 43.38 1ssn s LEU 127 CO 0.04 -1.41 0.17 -0.63 1.01 0.00 0.00 176.35 175.53 1ssn s ILE 128 N 4.19 5.42 -0.11 -0.59 1.09 -1.19 -3.02 121.20 126.99 1ssn s ILE 128 Ca 0.35 0.28 -0.04 0.00 -1.10 0.00 0.00 60.65 60.15 1ssn s ILE 128 Cb -0.06 -3.48 0.05 0.00 -1.06 0.00 0.00 42.46 37.92 1ssn s ILE 128 CO -0.02 0.51 0.15 -0.89 -0.10 0.00 0.00 174.94 174.59 1ssn s THR 129 N -0.25 -0.22 0.14 2.92 2.01 -1.24 -2.52 115.64 116.47 1ssn s THR 129 Ca 0.13 0.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 1ssn s THR 129 Cb -0.12 -0.39 -0.07 0.00 0.01 0.00 0.00 72.50 71.93 1ssn s THR 129 CO 0.02 0.02 1.19 -0.75 -0.69 0.00 0.00 174.62 174.41 1ssn s LYS 130 N 2.26 4.48 -0.02 4.92 2.36 -1.26 -2.61 119.74 129.87 1ssn s LYS 130 Ca 0.04 1.83 0.02 0.00 -2.55 0.00 0.00 55.97 55.31 1ssn s LYS 130 Cb -0.13 -3.28 0.00 0.00 -1.05 0.00 0.00 37.83 33.37 1ssn s LYS 130 CO -0.07 -0.14 -0.06 0.14 1.55 0.00 0.00 175.35 176.76 1ssn s VAL 131 N 0.36 0.57 0.14 4.02 -7.23 -0.97 -2.13 120.40 115.14 1ssn s VAL 131 Ca 0.55 -0.25 -0.27 0.00 -1.81 0.00 0.00 61.98 60.20 1ssn s VAL 131 Cb -0.31 -0.51 -0.07 0.00 0.56 0.00 0.00 36.38 36.05 1ssn s VAL 131 CO 0.34 0.18 0.85 -0.69 -0.31 0.00 0.00 175.10 175.46 1ssn s VAL 132 N 0.17 4.44 -0.02 1.32 1.01 -1.12 -2.71 120.40 123.50 1ssn s VAL 132 Ca -0.02 1.84 0.01 0.00 0.00 0.00 0.00 61.98 63.81 1ssn s VAL 132 Cb -0.07 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.12 1ssn s VAL 132 CO -0.00 0.43 -0.02 -0.63 0.00 0.00 0.00 175.10 174.88 1ssn s ILE 133 N -0.61 0.25 -0.17 2.22 1.01 -0.64 -1.15 121.20 122.11 1ssn s ILE 133 Ca 0.40 -0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.90 1ssn s ILE 133 Cb -0.23 -0.29 -0.05 0.00 0.01 0.00 0.00 42.46 41.90 1ssn s ILE 133 CO 0.27 0.13 0.24 -1.61 0.00 0.00 0.00 174.94 173.97 1ssn s GLU 134 N 0.61 4.22 -0.75 2.79 0.41 -1.26 -2.06 118.70 122.66 1ssn s GLU 134 Ca -0.06 -0.01 -0.26 0.00 -0.41 0.00 0.00 54.97 54.23 1ssn s GLU 134 Cb -0.09 -3.42 -0.01 0.00 -1.78 0.00 0.00 34.13 28.82 1ssn s GLU 134 CO -0.01 0.27 1.76 0.21 -0.49 0.00 0.00 175.26 177.00 1ssn s LYS 135 N 0.41 2.77 0.00 1.61 2.20 -1.26 -2.09 119.74 123.38 1ssn s LYS 135 Ca 0.14 0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.82 1ssn s LYS 135 Cb -0.12 -4.64 0.00 0.00 -1.51 0.00 0.00 37.83 31.56 1ssn s LYS 135 CO 0.02 -2.79 0.00 1.17 -0.36 0.00 0.00 175.35 173.39