#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 0.00 -4.81 6.43 7.64 -1.26 -4.76 113.62 116.86 1ssn n SER 2 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 1ssn n SER 2 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 1ssn n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ssn s SER 3 N -1.62 6.87 0.30 6.43 1.04 -1.26 -4.60 113.70 120.86 1ssn s SER 3 Ca 0.00 1.03 -0.29 0.00 0.48 0.00 0.00 55.95 57.17 1ssn s SER 3 Cb 0.00 -2.29 -0.10 0.00 0.10 0.00 0.00 66.02 63.73 1ssn s SER 3 CO 0.00 0.26 1.25 0.72 0.98 0.00 0.00 173.24 176.45 1ssn s PHE 4 N -0.82 3.21 0.17 5.02 -0.71 -1.26 -4.60 117.98 119.00 1ssn s PHE 4 Ca 0.26 1.47 -0.03 0.00 -1.04 0.00 0.00 56.93 57.59 1ssn s PHE 4 Cb -0.17 -3.57 0.04 0.00 -1.21 0.00 0.00 43.02 38.11 1ssn s PHE 4 CO 0.15 -1.52 0.24 -0.40 -1.34 0.00 0.00 175.22 172.35 1ssn n ASP 5 N 1.09 -0.00 0.00 1.98 5.75 -1.26 -4.91 116.55 119.20 1ssn n ASP 5 Ca 0.00 -1.08 0.00 0.00 -0.01 0.00 0.00 54.79 53.71 1ssn n ASP 5 Cb 0.43 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1ssn n ASP 5 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1ssn n LYS 6 N -1.51 0.00 -2.67 0.11 2.85 -1.26 -4.70 118.16 110.98 1ssn n LYS 6 Ca 0.03 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.25 1ssn n LYS 6 Cb 0.10 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.54 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 -1.76 3.51 2.58 0.00 -1.26 -5.03 105.19 103.22 1ssn n GLY 7 Ca 0.00 1.17 -0.23 0.00 0.00 0.00 0.00 46.02 46.96 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 2.04 -1.46 -4.10 1.61 4.81 -1.26 -5.00 118.16 114.79 1ssn n LYS 8 Ca 0.06 0.73 -0.18 0.00 -0.87 0.00 0.00 58.31 58.06 1ssn n LYS 8 Cb 0.68 -4.54 -0.16 0.00 0.02 0.00 0.00 35.03 31.03 1ssn n LYS 8 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1ssn s TYR 9 N -3.33 0.53 -0.34 5.64 5.04 -1.24 -4.94 117.35 118.72 1ssn s TYR 9 Ca 0.35 -0.11 0.14 0.00 -2.44 0.00 0.00 57.07 55.02 1ssn s TYR 9 Cb -0.11 -0.46 0.43 0.00 0.35 0.00 0.00 41.96 42.17 1ssn s TYR 9 CO 0.82 -0.11 1.31 0.36 -1.34 0.00 0.00 175.55 176.60 1ssn n LYS 10 N 3.67 1.33 0.00 4.97 0.00 -1.26 -4.53 118.16 122.33 1ssn n LYS 10 Ca -0.22 -2.14 0.00 0.00 -0.00 0.00 0.00 58.31 55.95 1ssn n LYS 10 Cb 0.53 -0.35 0.00 0.00 -0.00 0.00 0.00 35.03 35.21 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 -0.81 0.00 -1.02 -1.58 4.81 -1.26 -2.69 118.16 115.61 1ssn n LYS 11 Ca -0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.38 1ssn n LYS 11 Cb 0.85 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.89 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 0.00 -0.04 2.23 3.14 0.00 -1.26 -4.96 105.19 104.30 1ssn n GLY 12 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.15 -4.23 -4.17 1.61 9.92 -1.09 -2.21 116.55 116.22 1ssn n ASP 13 Ca -0.10 0.40 -0.35 0.00 -0.53 0.00 0.00 54.79 54.21 1ssn n ASP 13 Cb 0.48 -3.85 -0.02 0.00 -0.64 0.00 0.00 41.12 37.09 1ssn n ASP 13 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1ssn n ASP 14 N -0.84 -3.45 -2.84 -2.24 9.92 -1.26 -4.77 116.55 111.07 1ssn n ASP 14 Ca -0.16 -0.98 -0.01 0.00 -0.53 0.00 0.00 54.79 53.11 1ssn n ASP 14 Cb 0.53 -2.94 0.01 0.00 -0.64 0.00 0.00 41.12 38.08 1ssn n ASP 14 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ssn s ALA 15 N -3.31 -3.51 0.00 2.24 0.00 -0.94 -4.52 121.76 111.72 1ssn s ALA 15 Ca 0.71 0.51 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1ssn s ALA 15 Cb -0.38 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1ssn s ALA 15 CO 0.91 -2.39 0.00 0.45 0.00 0.00 0.00 175.76 174.73 1ssn n SER 16 N 3.42 0.00 -2.99 0.00 2.88 -1.26 -5.03 113.62 110.64 1ssn n SER 16 Ca 0.11 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.49 1ssn n SER 16 Cb 0.61 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.06 1ssn n SER 16 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1ssn n TYR 17 N 0.00 -1.61 -3.28 0.66 4.01 -1.26 -5.01 117.16 110.67 1ssn n TYR 17 Ca 0.00 -2.81 -0.07 0.00 -0.16 0.00 0.00 57.90 54.86 1ssn n TYR 17 Cb 0.00 0.52 -0.04 0.00 -0.31 0.00 0.00 39.34 39.51 1ssn n TYR 17 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1ssn s PHE 18 N -0.53 -1.07 0.32 -0.72 5.36 -1.26 -5.14 117.98 114.94 1ssn s PHE 18 Ca 0.33 -0.15 0.00 0.00 -0.96 0.00 0.00 56.93 56.15 1ssn s PHE 18 Cb 0.23 -0.03 0.00 0.00 -0.34 0.00 0.00 43.02 42.88 1ssn s PHE 18 CO -0.15 -1.07 0.00 0.39 -1.46 0.00 0.00 175.22 172.93 1ssn n GLU 19 N 4.48 -2.22 -1.98 10.12 1.02 -1.26 -4.65 120.64 126.15 1ssn n GLU 19 Ca 0.10 1.72 -0.29 0.00 -0.02 0.00 0.00 57.16 58.67 1ssn n GLU 19 Cb 0.51 -2.17 -0.05 0.00 -0.02 0.00 0.00 31.44 29.72 1ssn n GLU 19 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1ssn s PRO 20 N -4.73 2.46 -0.07 3.49 0.04 -1.26 -4.78 135.00 130.15 1ssn s PRO 20 Ca 0.00 0.10 -0.23 0.00 0.04 0.00 0.00 61.00 60.91 1ssn s PRO 20 Cb 0.00 -4.83 -0.19 0.00 0.04 0.00 0.00 34.50 29.52 1ssn s PRO 20 CO 0.00 -3.30 0.89 1.79 0.04 0.00 0.00 177.00 176.41 1ssn h THR 21 N 7.22 1.17 0.00 1.26 1.35 -1.89 -3.48 112.91 118.55 1ssn h THR 21 Ca -0.02 -1.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 1ssn h THR 21 Cb 1.06 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 1ssn h THR 21 CO 1.19 0.33 0.00 0.61 -0.25 0.00 0.00 175.52 177.40 1ssn n GLY 22 N 0.84 0.80 1.75 5.82 0.00 -1.26 -5.07 105.19 108.08 1ssn n GLY 22 Ca -0.08 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 1ssn n GLY 22 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ssn n PRO 23 N -0.13 -0.53 -3.42 1.61 -0.04 -1.26 -4.74 135.00 126.48 1ssn n PRO 23 Ca 0.00 -0.95 -0.06 0.00 -0.04 0.00 0.00 63.50 62.45 1ssn n PRO 23 Cb 0.00 -0.60 0.02 0.00 -0.04 0.00 0.00 33.50 32.88 1ssn n PRO 23 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1ssn n TYR 24 N -2.78 -1.83 -3.05 0.54 0.18 -1.26 -4.70 117.16 104.26 1ssn n TYR 24 Ca 0.08 -1.40 -0.08 0.00 1.88 0.00 0.00 57.90 58.37 1ssn n TYR 24 Cb 0.26 0.70 -0.02 0.00 -0.38 0.00 0.00 39.34 39.90 1ssn n TYR 24 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 1ssn s LEU 25 N 0.00 -0.81 -0.27 -3.48 0.20 -0.08 -1.79 118.68 112.45 1ssn s LEU 25 Ca 0.16 -1.73 -0.27 0.00 0.69 0.00 0.00 54.13 52.98 1ssn s LEU 25 Cb -0.04 1.35 0.01 0.00 -0.43 0.00 0.00 46.19 47.08 1ssn s LEU 25 CO 0.08 -0.13 0.96 -0.32 -0.29 0.00 0.00 176.35 176.65 1ssn s MET 26 N 1.03 4.14 -0.45 1.98 -2.45 -0.71 -1.53 119.30 121.32 1ssn s MET 26 Ca 0.26 1.06 -0.08 0.00 -1.25 0.00 0.00 55.69 55.67 1ssn s MET 26 Cb -0.03 -3.68 0.11 0.00 1.25 0.00 0.00 34.83 32.48 1ssn s MET 26 CO -0.07 -0.68 0.30 0.08 1.05 0.00 0.00 175.02 175.70 1ssn s VAL 27 N 3.19 4.07 0.29 10.11 1.01 -0.74 -1.28 120.40 137.04 1ssn s VAL 27 Ca 0.40 -1.74 -0.08 0.00 0.00 0.00 0.00 61.98 60.56 1ssn s VAL 27 Cb -0.14 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1ssn s VAL 27 CO 0.10 -0.70 0.53 0.59 0.00 0.00 0.00 175.10 175.62 1ssn n ASN 28 N 4.86 -1.54 -0.63 3.32 4.13 -0.74 -4.48 115.26 120.18 1ssn n ASN 28 Ca -0.08 -2.27 0.00 0.00 1.68 0.00 0.00 54.58 53.92 1ssn n ASN 28 Cb 0.41 2.62 0.00 0.00 -1.54 0.00 0.00 39.78 41.27 1ssn n ASN 28 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1ssn n VAL 29 N -0.41 0.00 -3.70 2.41 0.24 -1.22 -3.47 118.33 112.17 1ssn n VAL 29 Ca -0.05 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.96 1ssn n VAL 29 Cb 0.45 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.67 1ssn n VAL 29 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1ssn s THR 30 N -0.91 0.73 -1.08 3.34 2.01 -0.51 -4.60 115.64 114.62 1ssn s THR 30 Ca 0.00 -1.32 -0.22 0.00 0.31 0.00 0.00 61.69 60.46 1ssn s THR 30 Cb 0.00 -1.56 0.05 0.00 0.01 0.00 0.00 72.50 70.99 1ssn s THR 30 CO 0.00 -0.69 1.55 -0.83 -0.69 0.00 0.00 174.62 173.96 1ssn s GLY 31 N 1.67 1.28 0.36 4.40 0.00 -1.25 -3.15 107.32 110.62 1ssn s GLY 31 Ca 0.10 -2.37 0.07 0.00 0.00 0.00 0.00 44.72 42.52 1ssn s GLY 31 CO -0.26 2.75 0.37 -1.34 0.00 0.00 0.00 173.10 174.62 1ssn s VAL 32 N 5.15 3.45 0.97 1.40 -7.23 -1.08 -1.69 120.40 121.36 1ssn s VAL 32 Ca 0.49 -1.25 -0.16 0.00 -1.81 0.00 0.00 61.98 59.25 1ssn s VAL 32 Cb 0.01 -3.18 0.19 0.00 0.56 0.00 0.00 36.38 33.95 1ssn s VAL 32 CO -0.05 -0.12 1.27 -0.62 -0.31 0.00 0.00 175.10 175.26 1ssn s ASP 33 N -4.09 3.02 0.27 4.85 2.15 -0.07 -0.83 116.67 121.97 1ssn s ASP 33 Ca 0.44 0.42 -0.00 0.00 0.43 0.00 0.00 52.55 53.84 1ssn s ASP 33 Cb -0.06 -0.58 0.53 0.00 -0.30 0.00 0.00 42.92 42.50 1ssn s ASP 33 CO 0.28 -2.80 1.80 -1.28 -0.17 0.00 0.00 175.17 173.00 1ssn h SER 34 N -1.69 0.71 -0.36 -0.34 0.87 -1.91 -2.31 113.55 108.53 1ssn h SER 34 Ca -0.45 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1ssn h SER 34 Cb 1.26 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1ssn h SER 34 CO 0.43 0.35 0.00 0.29 -0.53 0.00 0.00 176.83 177.36 1ssn n LYS 35 N -4.76 3.19 -0.35 2.24 4.76 -1.26 -4.92 118.16 117.06 1ssn n LYS 35 Ca 0.17 -1.85 0.00 0.00 -2.87 0.00 0.00 58.31 53.76 1ssn n LYS 35 Cb 0.39 -1.89 0.00 0.00 -1.84 0.00 0.00 35.03 31.68 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 0.47 1.80 3.68 0.72 0.00 -0.87 -5.01 105.19 105.98 1ssn n GLY 36 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.37 7.00 -0.48 1.61 0.01 -1.26 -4.54 114.94 113.91 1ssn s ASN 37 Ca 0.00 1.80 -0.27 0.00 -0.71 0.00 0.00 52.86 53.68 1ssn s ASN 37 Cb 0.00 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 39.06 1ssn s ASN 37 CO 0.00 -0.65 2.14 -0.70 -1.51 0.00 0.00 177.10 176.39 1ssn s GLU 38 N 2.64 2.52 0.00 -0.60 2.12 -1.26 -0.90 118.70 123.21 1ssn s GLU 38 Ca 0.56 1.22 0.00 0.00 0.36 0.00 0.00 54.97 57.11 1ssn s GLU 38 Cb -0.24 -4.46 0.00 0.00 0.26 0.00 0.00 34.13 29.69 1ssn s GLU 38 CO 0.20 -2.82 0.23 1.28 -0.54 0.00 0.00 175.26 173.61 1ssn n LEU 39 N 13.82 0.51 -4.92 2.70 4.77 -0.68 -4.87 117.00 128.33 1ssn n LEU 39 Ca 0.29 0.52 -0.27 0.00 -0.03 0.00 0.00 56.01 56.52 1ssn n LEU 39 Cb 0.52 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1ssn n LEU 39 CO 0.70 -0.38 0.17 -0.76 -1.33 0.00 0.00 177.39 175.78 1ssn s LEU 40 N -3.30 4.06 -0.66 2.23 1.43 -1.14 -5.07 118.68 116.23 1ssn s LEU 40 Ca 0.00 0.58 0.06 0.00 -1.03 0.00 0.00 54.13 53.74 1ssn s LEU 40 Cb 0.00 -3.41 0.24 0.00 0.03 0.00 0.00 46.19 43.06 1ssn s LEU 40 CO 0.00 -0.21 0.74 -0.24 0.23 0.00 0.00 176.35 176.87 1ssn n SER 41 N -1.17 3.76 -4.56 2.29 2.88 -1.26 -3.85 113.62 111.70 1ssn n SER 41 Ca -0.03 -3.42 -0.31 0.00 -1.33 0.00 0.00 58.87 53.78 1ssn n SER 41 Cb 0.55 -0.70 -0.04 0.00 -0.75 0.00 0.00 64.21 63.26 1ssn n SER 41 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1ssn s PRO 42 N -2.36 2.74 -0.42 -1.46 0.04 -1.26 -4.59 135.00 127.68 1ssn s PRO 42 Ca 0.38 -0.28 0.09 0.00 0.04 0.00 0.00 61.00 61.23 1ssn s PRO 42 Cb 0.12 -4.98 0.36 0.00 0.04 0.00 0.00 34.50 30.05 1ssn s PRO 42 CO -0.03 -3.07 1.17 0.72 0.04 0.00 0.00 177.00 175.83 1ssn n HIS 43 N 12.89 -2.14 -1.88 0.56 8.25 -1.26 -3.43 115.22 128.21 1ssn n HIS 43 Ca 0.35 -2.24 0.00 0.00 -0.26 0.00 0.00 57.72 55.57 1ssn n HIS 43 Cb 0.48 1.29 0.00 0.00 1.12 0.00 0.00 29.99 32.89 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 -0.07 0.00 -3.98 4.41 0.18 -1.26 -3.59 117.16 112.85 1ssn n TYR 44 Ca 0.04 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.53 1ssn n TYR 44 Cb 0.77 0.14 -0.17 0.00 -0.38 0.00 0.00 39.34 39.71 1ssn n TYR 44 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1ssn s VAL 45 N 0.00 1.42 0.21 -3.48 1.01 -1.26 -4.67 120.40 113.63 1ssn s VAL 45 Ca 0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 1ssn s VAL 45 Cb 0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1ssn s VAL 45 CO 0.00 0.40 0.11 -1.83 0.00 0.00 0.00 175.10 173.78 1ssn s GLU 46 N 1.54 1.22 0.06 2.72 4.04 -1.26 -1.79 118.70 125.23 1ssn s GLU 46 Ca 0.04 -1.64 -0.07 0.00 0.04 0.00 0.00 54.97 53.34 1ssn s GLU 46 Cb -0.13 0.14 -0.01 0.00 0.02 0.00 0.00 34.13 34.15 1ssn s GLU 46 CO -0.10 -0.35 0.13 -0.06 -1.84 0.00 0.00 175.26 173.04 1ssn s PHE 47 N -4.05 0.21 0.96 4.83 0.08 -0.58 -4.92 117.98 114.50 1ssn s PHE 47 Ca 0.37 -0.60 -0.12 0.00 0.12 0.00 0.00 56.93 56.70 1ssn s PHE 47 Cb 0.07 -0.13 0.16 0.00 -0.57 0.00 0.00 43.02 42.55 1ssn s PHE 47 CO 0.11 -0.45 1.10 -1.25 -0.10 0.00 0.00 175.22 174.63 1ssn s PRO 48 N -3.36 0.76 -0.06 0.24 0.04 -1.26 -0.91 135.00 130.44 1ssn s PRO 48 Ca 0.01 0.53 -0.30 0.00 0.04 0.00 0.00 61.00 61.29 1ssn s PRO 48 Cb 0.03 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.74 1ssn s PRO 48 CO -0.08 -2.51 1.76 -1.50 0.04 0.00 0.00 177.00 174.71 1ssn s ILE 49 N -3.02 3.42 -0.41 0.56 1.10 -1.26 -4.51 121.20 117.08 1ssn s ILE 49 Ca 0.64 0.50 0.04 0.00 -0.51 0.00 0.00 60.65 61.33 1ssn s ILE 49 Cb -0.18 -3.35 0.17 0.00 0.15 0.00 0.00 42.46 39.25 1ssn s ILE 49 CO 0.57 -0.07 0.39 -0.54 -2.11 0.00 0.00 174.94 173.17 1ssn s LYS 50 N 4.36 0.82 0.00 3.50 1.02 -1.26 -5.09 119.74 123.09 1ssn s LYS 50 Ca 0.78 -1.58 0.00 0.00 0.02 0.00 0.00 55.97 55.19 1ssn s LYS 50 Cb -0.35 -1.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.92 1ssn s LYS 50 CO 0.33 -1.31 0.00 -0.35 -0.92 0.00 0.00 175.35 173.09 1ssn n PRO 51 N 3.33 0.41 0.00 -1.68 -0.04 -1.26 -4.61 135.00 131.14 1ssn n PRO 51 Ca 0.22 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1ssn n PRO 51 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 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 5.00 2.39 3.79 0.55 0.00 -0.55 -5.01 105.19 111.36 1ssn n GLY 52 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.29 3.79 0.54 2.61 -1.32 -1.26 -4.70 115.64 113.01 1ssn s THR 53 Ca 0.00 1.24 -0.20 0.00 -1.21 0.00 0.00 61.69 61.51 1ssn s THR 53 Cb 0.00 -3.57 -0.05 0.00 -1.51 0.00 0.00 72.50 67.37 1ssn s THR 53 CO 0.00 -0.12 1.20 -0.89 -2.21 0.00 0.00 174.62 172.60 1ssn s THR 54 N -1.83 2.79 -0.14 5.08 2.01 -1.26 -2.44 115.64 119.85 1ssn s THR 54 Ca 0.62 0.53 -0.04 0.00 0.31 0.00 0.00 61.69 63.12 1ssn s THR 54 Cb -0.19 -3.24 0.07 0.00 0.01 0.00 0.00 72.50 69.15 1ssn s THR 54 CO 0.23 -0.07 0.21 -0.22 -0.69 0.00 0.00 174.62 174.09 1ssn s LEU 55 N -3.65 -0.15 0.22 4.42 1.98 -0.67 -4.92 118.68 115.90 1ssn s LEU 55 Ca 0.72 0.18 -0.23 0.00 -2.89 0.00 0.00 54.13 51.91 1ssn s LEU 55 Cb -0.30 0.43 0.05 0.00 0.66 0.00 0.00 46.19 47.03 1ssn s LEU 55 CO 0.34 -0.28 0.87 0.28 -1.89 0.00 0.00 176.35 175.68 1ssn s THR 56 N 2.34 0.00 0.28 3.68 -1.32 -1.25 -2.19 115.64 117.18 1ssn s THR 56 Ca 0.04 -0.80 0.01 0.00 -1.21 0.00 0.00 61.69 59.73 1ssn s THR 56 Cb -0.13 -2.13 0.26 0.00 -1.51 0.00 0.00 72.50 68.99 1ssn s THR 56 CO -0.09 0.00 1.78 0.07 -2.21 0.00 0.00 174.62 174.17 1ssn h LYS 57 N 2.00 0.73 -0.00 7.08 2.10 -1.88 -0.67 116.57 125.92 1ssn h LYS 57 Ca -0.23 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 1ssn h LYS 57 Cb 1.24 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1ssn h LYS 57 CO 0.26 0.48 -0.05 -0.85 -2.00 0.00 0.00 179.45 177.30 1ssn n GLU 58 N -4.78 0.94 -2.63 0.07 -0.00 -1.26 -3.23 120.64 109.75 1ssn n GLU 58 Ca 0.19 -0.29 -0.16 0.00 -0.00 0.00 0.00 57.16 56.90 1ssn n GLU 58 Cb 0.44 -1.49 0.01 0.00 -0.00 0.00 0.00 31.44 30.40 1ssn n GLU 58 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1ssn n LYS 59 N -0.78 1.99 0.00 3.44 4.81 -0.29 -4.81 118.16 122.53 1ssn n LYS 59 Ca 0.18 -3.75 0.00 0.00 -0.87 0.00 0.00 58.31 53.88 1ssn n LYS 59 Cb 0.24 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 33.64 1ssn n LYS 59 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1ssn n ILE 60 N -0.20 0.00 -0.19 3.15 0.00 -1.00 -3.87 119.36 117.25 1ssn n ILE 60 Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 62.75 62.96 1ssn n ILE 60 Cb 0.74 -0.01 0.10 0.00 0.00 0.00 0.00 39.64 40.48 1ssn n ILE 60 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1ssn h GLU 61 N 0.00 0.20 -0.67 9.51 3.07 -1.79 -1.99 114.58 122.90 1ssn h GLU 61 Ca 0.00 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.80 1ssn h GLU 61 Cb 0.00 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.84 1ssn h GLU 61 CO 0.00 0.13 0.23 0.10 -1.40 0.00 0.00 179.01 178.07 1ssn h TYR 62 N 0.20 1.06 -0.35 4.33 -0.00 -1.89 -2.95 116.97 117.37 1ssn h TYR 62 Ca 0.31 -0.10 -0.04 0.00 0.00 0.00 0.00 58.73 58.90 1ssn h TYR 62 Cb 0.48 -0.31 -0.01 0.00 0.00 0.00 0.00 36.73 36.88 1ssn h TYR 62 CO -0.28 0.85 0.06 -0.92 -0.00 0.00 0.00 178.16 177.87 1ssn h TYR 63 N 0.97 0.60 0.00 0.10 3.20 -1.75 -1.26 116.97 118.83 1ssn h TYR 63 Ca 0.22 -0.08 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 1ssn h TYR 63 Cb 0.27 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1ssn h TYR 63 CO 0.02 0.63 -0.43 -0.39 -1.64 0.00 0.00 178.16 176.35 1ssn h VAL 64 N 0.41 1.25 -0.16 1.81 -1.51 -1.55 -2.01 116.25 114.48 1ssn h VAL 64 Ca 0.11 -1.51 -0.18 0.00 -1.23 0.00 0.00 66.70 63.89 1ssn h VAL 64 Cb 0.35 1.83 -0.00 0.00 -2.13 0.00 0.00 31.29 31.33 1ssn h VAL 64 CO 0.01 0.42 -0.64 -0.33 -1.23 0.00 0.00 177.57 175.80 1ssn h GLU 65 N 0.00 0.59 0.00 5.19 4.39 -1.32 -3.15 114.58 120.28 1ssn h GLU 65 Ca -0.00 -0.42 -0.09 0.00 0.34 0.00 0.00 59.36 59.19 1ssn h GLU 65 Cb 0.79 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 1ssn h GLU 65 CO 0.06 1.04 -0.42 -1.49 -1.16 0.00 0.00 179.01 177.03 1ssn h TRP 66 N 0.43 0.00 0.86 4.33 -0.00 -0.97 -2.70 115.95 117.90 1ssn h TRP 66 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.84 1ssn h TRP 66 Cb 1.21 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 30.38 1ssn h TRP 66 CO 0.05 0.42 -0.41 0.00 -0.00 0.00 0.00 178.44 178.50 1ssn h ALA 67 N 1.58 -1.16 0.00 1.49 0.00 -1.33 -3.10 119.26 116.74 1ssn h ALA 67 Ca -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1ssn h ALA 67 Cb 0.83 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ssn h ALA 67 CO 0.05 -1.08 -0.09 1.37 0.00 0.00 0.00 179.25 179.51 1ssn h LEU 68 N -1.31 0.00 -2.58 0.00 8.10 -1.62 -2.70 115.31 115.20 1ssn h LEU 68 Ca -0.12 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.87 1ssn h LEU 68 Cb 0.89 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.11 1ssn h LEU 68 CO 0.19 0.09 -0.02 -0.78 -4.11 0.00 0.00 178.44 173.82 1ssn h ASP 69 N 0.00 0.00 -0.04 0.17 3.58 -1.40 -2.96 116.42 115.78 1ssn h ASP 69 Ca -0.00 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.48 1ssn h ASP 69 Cb 0.30 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.30 1ssn h ASP 69 CO 0.01 0.02 -0.26 0.00 -2.88 0.00 0.00 179.24 176.13 1ssn h ALA 70 N 1.98 -0.33 -0.04 -0.78 0.00 -1.53 -3.36 119.26 115.21 1ssn h ALA 70 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ssn h ALA 70 Cb 0.07 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ssn h ALA 70 CO 0.00 -0.75 0.00 0.25 0.00 0.00 0.00 179.25 178.75 1ssn n THR 71 N -5.38 0.00 -4.03 0.00 -2.24 -1.12 -4.90 114.28 96.61 1ssn n THR 71 Ca -0.04 0.73 -0.31 0.00 -2.27 0.00 0.00 64.05 62.16 1ssn n THR 71 Cb 0.29 -1.72 -0.06 0.00 -2.10 0.00 0.00 70.33 66.74 1ssn n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ssn s ALA 72 N -3.01 3.68 -0.28 6.98 0.00 -1.22 -3.94 121.76 123.97 1ssn s ALA 72 Ca 0.00 -0.93 0.07 0.00 0.00 0.00 0.00 51.96 51.11 1ssn s ALA 72 Cb 0.00 -1.58 0.26 0.00 0.00 0.00 0.00 23.12 21.80 1ssn s ALA 72 CO 0.00 0.75 1.20 2.48 0.00 0.00 0.00 175.76 180.19 1ssn n TYR 73 N 0.65 -1.45 0.00 0.00 4.11 -1.26 -4.05 117.16 115.16 1ssn n TYR 73 Ca -0.09 -1.23 0.00 0.00 -0.00 0.00 0.00 57.90 56.57 1ssn n TYR 73 Cb 0.52 1.30 0.00 0.00 -0.00 0.00 0.00 39.34 41.16 1ssn n TYR 73 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1ssn n LYS 74 N -0.83 0.00 0.34 -3.48 5.02 -1.26 -4.56 118.16 113.39 1ssn n LYS 74 Ca -0.12 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.00 1ssn n LYS 74 Cb 0.75 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.68 1ssn n LYS 74 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1ssn h GLU 75 N 0.00 -0.82 -7.02 1.97 4.81 -1.87 -3.45 114.58 108.20 1ssn h GLU 75 Ca 0.00 0.06 -0.54 0.00 -0.13 0.00 0.00 59.36 58.75 1ssn h GLU 75 Cb 0.00 0.19 0.11 0.00 0.63 0.00 0.00 28.75 29.68 1ssn h GLU 75 CO 0.00 -0.50 0.61 -0.59 -0.73 0.00 0.00 179.01 177.79 1ssn s PHE 76 N -5.40 2.48 0.00 0.92 -0.12 -1.26 -1.91 117.98 112.69 1ssn s PHE 76 Ca -0.16 1.38 0.00 0.00 -0.05 0.00 0.00 56.93 58.10 1ssn s PHE 76 Cb 0.03 -3.74 0.00 0.00 -0.63 0.00 0.00 43.02 38.67 1ssn s PHE 76 CO 0.55 -2.59 0.00 -2.13 -0.05 0.00 0.00 175.22 171.00 1ssn n ARG 77 N -0.62 0.00 -0.22 1.99 3.00 -0.83 -4.90 116.66 115.08 1ssn n ARG 77 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 1ssn n ARG 77 Cb 0.45 -0.79 0.00 0.00 0.00 0.00 0.00 32.46 32.11 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 -2.33 -1.56 0.09 5.15 0.31 -1.21 -4.93 118.33 113.85 1ssn n VAL 78 Ca 0.00 0.10 -0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1ssn n VAL 78 Cb 0.37 -1.41 -0.02 0.00 -0.91 0.00 0.00 33.84 31.86 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 0.12 0.00 -2.46 2.52 2.07 -1.47 -3.45 116.25 113.59 1ssn h VAL 79 Ca 0.00 -0.71 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 1ssn h VAL 79 Cb 0.00 0.00 -0.25 0.00 -1.52 0.00 0.00 31.29 29.52 1ssn h VAL 79 CO 0.00 0.00 -0.23 -0.70 0.02 0.00 0.00 177.57 176.66 1ssn s GLU 80 N -2.56 0.46 -0.24 1.57 2.12 -1.25 -5.06 118.70 113.74 1ssn s GLU 80 Ca -0.05 0.94 -0.29 0.00 0.36 0.00 0.00 54.97 55.93 1ssn s GLU 80 Cb 0.00 0.07 0.01 0.00 0.26 0.00 0.00 34.13 34.47 1ssn s GLU 80 CO 0.14 -0.17 1.13 -0.51 -0.54 0.00 0.00 175.26 175.31 1ssn s LEU 81 N 1.62 4.06 0.31 2.70 1.43 -1.26 -2.84 118.68 124.70 1ssn s LEU 81 Ca -0.09 1.36 -0.29 0.00 -1.03 0.00 0.00 54.13 54.08 1ssn s LEU 81 Cb -0.08 -3.54 -0.11 0.00 0.03 0.00 0.00 46.19 42.49 1ssn s LEU 81 CO -0.15 -0.78 1.50 -1.81 0.23 0.00 0.00 176.35 175.34 1ssn s ASP 82 N 1.64 6.46 0.31 2.29 1.11 -1.06 -4.90 116.67 122.52 1ssn s ASP 82 Ca 0.48 2.90 0.04 0.00 0.18 0.00 0.00 52.55 56.15 1ssn s ASP 82 Cb -0.16 -2.64 0.52 0.00 1.07 0.00 0.00 42.92 41.70 1ssn s ASP 82 CO 0.12 -0.82 1.79 1.55 1.18 0.00 0.00 175.17 178.98 1ssn h PRO 83 N 4.18 0.43 -4.64 8.23 0.13 -1.94 -3.33 132.00 135.04 1ssn h PRO 83 Ca -0.48 -0.14 -0.72 0.00 -0.87 0.00 0.00 66.00 63.80 1ssn h PRO 83 Cb 1.23 -0.04 -0.10 0.00 0.13 0.00 0.00 31.00 32.21 1ssn h PRO 83 CO 0.73 0.60 2.26 0.43 -0.23 0.00 0.00 178.00 181.79 1ssn n SER 84 N -4.17 4.73 -4.65 1.44 7.64 -1.26 -4.81 113.62 112.53 1ssn n SER 84 Ca -0.00 -2.95 -0.30 0.00 1.01 0.00 0.00 58.87 56.64 1ssn n SER 84 Cb 0.35 -1.63 0.17 0.00 -1.01 0.00 0.00 64.21 62.09 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 2.63 1.05 -0.21 -0.43 0.00 -1.25 -4.75 121.76 118.79 1ssn s ALA 85 Ca 0.47 0.05 -0.08 0.00 0.00 0.00 0.00 51.96 52.40 1ssn s ALA 85 Cb 0.06 -3.26 0.09 0.00 0.00 0.00 0.00 23.12 20.02 1ssn s ALA 85 CO 0.00 -2.79 0.46 -1.59 0.00 0.00 0.00 175.76 171.84 1ssn s LYS 86 N -4.77 0.38 -0.23 0.00 -2.85 -1.25 -3.45 119.74 107.57 1ssn s LYS 86 Ca 0.65 1.08 -0.17 0.00 -1.00 0.00 0.00 55.97 56.54 1ssn s LYS 86 Cb -0.21 0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 35.90 1ssn s LYS 86 CO 0.59 -0.23 0.45 0.42 0.10 0.00 0.00 175.35 176.68 1ssn s ILE 87 N 2.51 5.14 -0.86 3.79 1.09 0.07 -3.17 121.20 129.76 1ssn s ILE 87 Ca -0.03 0.77 -0.00 0.00 -1.10 0.00 0.00 60.65 60.29 1ssn s ILE 87 Cb -0.11 -3.77 0.23 0.00 -1.06 0.00 0.00 42.46 37.74 1ssn s ILE 87 CO -0.14 0.17 0.82 -0.62 -0.10 0.00 0.00 174.94 175.07 1ssn n GLU 88 N 5.04 2.71 -2.21 2.79 4.71 -0.97 -1.45 120.64 131.27 1ssn n GLU 88 Ca -0.06 -4.52 -0.31 0.00 -0.01 0.00 0.00 57.16 52.25 1ssn n GLU 88 Cb 0.50 -2.39 -0.04 0.00 -1.01 0.00 0.00 31.44 28.50 1ssn n GLU 88 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1ssn s VAL 89 N -1.69 3.63 -0.81 2.62 0.11 -1.07 -2.99 120.40 120.19 1ssn s VAL 89 Ca 0.29 -0.71 -0.17 0.00 -2.93 0.00 0.00 61.98 58.46 1ssn s VAL 89 Cb -0.02 -4.45 0.15 0.00 -1.53 0.00 0.00 36.38 30.53 1ssn s VAL 89 CO -0.09 -1.26 0.90 -0.89 -3.33 0.00 0.00 175.10 170.43 1ssn s THR 90 N 8.72 5.05 0.57 5.04 2.01 -0.69 -3.63 115.64 132.72 1ssn s THR 90 Ca 0.63 -1.73 -0.01 0.00 0.31 0.00 0.00 61.69 60.89 1ssn s THR 90 Cb -0.03 -4.60 0.03 0.00 0.01 0.00 0.00 72.50 67.91 1ssn s THR 90 CO 0.01 -1.25 0.82 -0.72 -0.69 0.00 0.00 174.62 172.79 1ssn s TYR 91 N 1.83 2.92 -0.42 4.92 -0.85 -0.89 -4.43 117.35 120.43 1ssn s TYR 91 Ca 0.22 0.13 0.08 0.00 -0.52 0.00 0.00 57.07 56.99 1ssn s TYR 91 Cb -0.11 -2.80 0.31 0.00 0.38 0.00 0.00 41.96 39.73 1ssn s TYR 91 CO -0.05 -0.93 0.85 2.48 -1.52 0.00 0.00 175.55 176.38 1ssn n TYR 92 N -2.45 -1.45 -2.46 -3.49 4.11 -1.26 -3.39 117.16 106.77 1ssn n TYR 92 Ca 0.07 -2.91 -0.39 0.00 -0.00 0.00 0.00 57.90 54.68 1ssn n TYR 92 Cb 0.60 0.58 -0.03 0.00 -0.00 0.00 0.00 39.34 40.48 1ssn n TYR 92 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1ssn s ASP 93 N -1.74 6.30 -1.37 9.48 2.15 -1.12 -4.03 116.67 126.34 1ssn s ASP 93 Ca 0.32 -1.62 -0.16 0.00 0.43 0.00 0.00 52.55 51.52 1ssn s ASP 93 Cb 0.28 -2.57 0.03 0.00 -0.30 0.00 0.00 42.92 40.36 1ssn s ASP 93 CO -0.10 -1.70 2.11 1.17 -0.17 0.00 0.00 175.17 176.48 1ssn n LYS 94 N 8.71 2.77 0.15 4.34 4.81 -1.26 -0.80 118.16 136.88 1ssn n LYS 94 Ca 0.39 -2.65 0.00 0.00 -0.87 0.00 0.00 58.31 55.18 1ssn n LYS 94 Cb 0.49 -3.30 0.00 0.00 0.02 0.00 0.00 35.03 32.24 1ssn n LYS 94 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ssn n ASN 95 N 6.78 -1.64 -2.01 3.14 3.02 -1.26 -4.91 115.26 118.38 1ssn n ASN 95 Ca 0.51 0.54 -0.03 0.00 -0.03 0.00 0.00 54.58 55.57 1ssn n ASN 95 Cb 0.40 1.68 0.04 0.00 -0.61 0.00 0.00 39.78 41.29 1ssn n ASN 95 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1ssn n LYS 96 N -3.25 0.81 0.03 3.52 0.00 -1.25 -4.97 118.16 113.05 1ssn n LYS 96 Ca 0.00 -1.56 0.00 0.00 -0.00 0.00 0.00 58.31 56.75 1ssn n LYS 96 Cb 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 35.03 35.14 1ssn n LYS 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1ssn n LYS 97 N -0.67 0.00 0.00 -1.58 3.00 -1.21 -5.08 118.16 112.61 1ssn n LYS 97 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 1ssn n LYS 97 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.87 1ssn n LYS 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1ssn n LYS 98 N -2.61 0.00 -3.50 1.64 4.81 0.02 -4.82 118.16 113.70 1ssn n LYS 98 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.07 1ssn n LYS 98 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 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 0.00 4.23 -0.06 1.64 2.12 -1.26 -2.79 118.70 122.58 1ssn s GLU 99 Ca 0.00 0.18 -0.03 0.00 0.36 0.00 0.00 54.97 55.49 1ssn s GLU 99 Cb 0.00 -3.41 0.04 0.00 0.26 0.00 0.00 34.13 31.02 1ssn s GLU 99 CO 0.00 0.26 0.11 -1.21 -0.54 0.00 0.00 175.26 173.88 1ssn s GLU 100 N 0.37 -0.02 -1.14 4.30 2.02 -1.22 -5.03 118.70 118.00 1ssn s GLU 100 Ca 0.19 0.45 -0.20 0.00 0.02 0.00 0.00 54.97 55.43 1ssn s GLU 100 Cb -0.14 -0.37 0.07 0.00 0.10 0.00 0.00 34.13 33.80 1ssn s GLU 100 CO 0.06 -0.30 1.54 0.99 0.02 0.00 0.00 175.26 177.57 1ssn s THR 101 N 2.10 4.13 -0.86 3.63 2.01 -1.26 -3.80 115.64 121.59 1ssn s THR 101 Ca 0.03 -1.40 -0.25 0.00 0.31 0.00 0.00 61.69 60.37 1ssn s THR 101 Cb -0.12 -5.09 0.04 0.00 0.01 0.00 0.00 72.50 67.34 1ssn s THR 101 CO -0.04 -1.92 1.37 -0.75 -0.69 0.00 0.00 174.62 172.58 1ssn s LYS 102 N 4.30 3.34 -1.30 4.92 2.47 -1.24 -4.92 119.74 127.31 1ssn s LYS 102 Ca 0.48 -0.59 -0.10 0.00 -1.56 0.00 0.00 55.97 54.20 1ssn s LYS 102 Cb 0.01 -4.68 0.15 0.00 -1.46 0.00 0.00 37.83 31.85 1ssn s LYS 102 CO -0.02 -2.20 1.92 -1.13 0.16 0.00 0.00 175.35 174.09 1ssn n SER 103 N 9.27 4.93 -4.75 1.43 3.41 -1.26 -2.61 113.62 124.04 1ssn n SER 103 Ca 0.16 -3.08 -0.41 0.00 -0.26 0.00 0.00 58.87 55.28 1ssn n SER 103 Cb 0.50 -1.50 -0.03 0.00 -0.26 0.00 0.00 64.21 62.92 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 0.75 3.16 0.00 7.33 5.36 -0.53 -4.89 117.98 129.16 1ssn s PHE 104 Ca 0.41 1.26 0.00 0.00 -0.96 0.00 0.00 56.93 57.63 1ssn s PHE 104 Cb 0.10 -3.66 0.00 0.00 -0.34 0.00 0.00 43.02 39.13 1ssn s PHE 104 CO -0.01 -1.98 0.00 -0.35 -1.46 0.00 0.00 175.22 171.42 1ssn n PRO 105 N 1.95 0.00 -3.51 10.12 -0.04 -1.26 -0.75 135.00 141.51 1ssn n PRO 105 Ca 0.04 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.36 1ssn n PRO 105 Cb 0.42 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.84 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 0.13 0.52 1.10 -1.22 -3.64 121.20 118.09 1ssn s ILE 106 Ca 0.00 0.00 0.06 0.00 -0.51 0.00 0.00 60.65 60.20 1ssn s ILE 106 Cb 0.00 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.57 1ssn s ILE 106 CO 0.00 0.00 -0.13 0.42 -2.11 0.00 0.00 174.94 173.12 1ssn s THR 107 N -1.94 1.32 -0.00 4.00 -4.23 -1.26 -4.99 115.64 108.54 1ssn s THR 107 Ca -0.04 -1.82 0.15 0.00 -1.18 0.00 0.00 61.69 58.80 1ssn s THR 107 Cb -0.00 -1.63 0.05 0.00 1.34 0.00 0.00 72.50 72.26 1ssn s THR 107 CO 0.01 -0.50 1.53 -0.33 -0.54 0.00 0.00 174.62 174.78 1ssn h GLU 108 N 3.29 0.00 -0.46 3.99 3.07 -1.98 -3.33 114.58 119.16 1ssn h GLU 108 Ca -0.39 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.44 1ssn h GLU 108 Cb 1.20 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.09 1ssn h GLU 108 CO 0.54 0.52 0.15 0.87 -1.40 0.00 0.00 179.01 179.70 1ssn h LYS 109 N 0.00 0.71 0.00 2.33 1.57 -1.97 -3.46 116.57 115.75 1ssn h LYS 109 Ca -0.01 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1ssn h LYS 109 Cb 1.26 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1ssn h LYS 109 CO 0.07 0.67 0.00 0.41 -0.57 0.00 0.00 179.45 180.03 1ssn n GLY 110 N -0.70 0.74 3.69 3.86 0.00 -1.26 -5.05 105.19 106.47 1ssn n GLY 110 Ca 0.01 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.33 3.15 0.05 1.61 -0.71 -0.93 -4.56 117.98 115.26 1ssn s PHE 111 Ca 0.00 1.13 -0.30 0.00 -1.04 0.00 0.00 56.93 56.71 1ssn s PHE 111 Cb 0.00 -3.49 -0.05 0.00 -1.21 0.00 0.00 43.02 38.27 1ssn s PHE 111 CO 0.00 -1.61 1.12 0.08 -1.34 0.00 0.00 175.22 173.47 1ssn s VAL 112 N 2.05 4.30 -0.05 -2.49 1.01 -1.26 -1.68 120.40 122.28 1ssn s VAL 112 Ca 0.58 1.68 -0.30 0.00 0.00 0.00 0.00 61.98 63.94 1ssn s VAL 112 Cb -0.27 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1ssn s VAL 112 CO 0.24 0.15 1.58 -0.69 0.00 0.00 0.00 175.10 176.38 1ssn s VAL 113 N 0.92 3.65 0.00 2.92 1.01 -1.02 -4.95 120.40 122.92 1ssn s VAL 113 Ca 0.56 0.84 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1ssn s VAL 113 Cb -0.27 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1ssn s VAL 113 CO 0.29 -0.06 0.00 -0.81 0.00 0.00 0.00 175.10 174.52 1ssn n PRO 114 N 6.77 0.00 0.00 2.72 -0.04 -1.26 -1.48 135.00 141.71 1ssn n PRO 114 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1ssn n PRO 114 Cb 0.43 -0.08 0.00 0.00 -0.04 0.00 0.00 33.50 33.81 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 0.00 -3.75 3.54 2.03 -1.26 -4.22 116.55 112.89 1ssn n ASP 115 Ca 0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 1ssn n ASP 115 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 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 -1.10 0.81 0.00 -2.67 1.43 -1.26 -5.05 118.68 110.83 1ssn s LEU 116 Ca 0.00 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1ssn s LEU 116 Cb 0.00 1.51 0.00 0.00 0.03 0.00 0.00 46.19 47.73 1ssn s LEU 116 CO 0.00 -0.82 0.00 -0.24 0.23 0.00 0.00 176.35 175.52 1ssn n SER 117 N -0.17 0.00 0.00 2.29 2.88 -1.26 -5.07 113.62 112.29 1ssn n SER 117 Ca -0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1ssn n SER 117 Cb 0.63 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 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 -2.23 0.00 -0.33 -1.46 0.00 -1.26 -5.02 120.64 110.34 1ssn n GLU 118 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 57.16 57.42 1ssn n GLU 118 Cb 0.00 0.00 0.55 0.00 0.00 0.00 0.00 31.44 31.99 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 0.57 -3.38 4.31 2.07 -2.00 -3.42 115.15 113.30 1ssn h HIS 119 Ca 0.00 0.02 -0.42 0.00 -2.85 0.00 0.00 60.37 57.12 1ssn h HIS 119 Cb 0.00 -0.16 -0.14 0.00 2.57 0.00 0.00 27.41 29.68 1ssn h HIS 119 CO 0.00 0.02 -0.59 0.96 -3.07 0.00 0.00 177.93 175.26 1ssn s ILE 120 N -5.41 0.70 -0.33 6.12 -4.36 -1.26 -4.82 121.20 111.85 1ssn s ILE 120 Ca -0.08 -2.00 0.15 0.00 -0.26 0.00 0.00 60.65 58.46 1ssn s ILE 120 Cb 0.25 -2.62 0.44 0.00 1.25 0.00 0.00 42.46 41.78 1ssn s ILE 120 CO 0.80 0.00 1.36 2.29 0.24 0.00 0.00 174.94 179.63 1ssn n LYS 121 N -0.61 1.42 -2.71 0.37 0.00 -1.26 -4.85 118.16 110.52 1ssn n LYS 121 Ca -0.01 -2.08 -0.08 0.00 -0.00 0.00 0.00 58.31 56.14 1ssn n LYS 121 Cb 0.66 -0.32 0.10 0.00 -0.00 0.00 0.00 35.03 35.47 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 -1.04 -2.05 -0.25 -5.58 2.04 -1.26 -4.60 115.26 102.52 1ssn n ASN 122 Ca -0.07 -2.94 -0.06 0.00 -0.44 0.00 0.00 54.58 51.07 1ssn n ASN 122 Cb 0.85 1.41 -0.01 0.00 -2.53 0.00 0.00 39.78 39.50 1ssn n ASN 122 CO 0.00 0.00 0.00 1.55 -0.44 0.00 0.00 177.26 178.37 1ssn h PRO 123 N 2.40 -0.14 -4.62 -0.53 0.13 -1.90 -3.38 132.00 123.95 1ssn h PRO 123 Ca -0.22 0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.89 1ssn h PRO 123 Cb 1.21 0.03 0.03 0.00 0.13 0.00 0.00 31.00 32.40 1ssn h PRO 123 CO 0.01 -0.09 -0.12 0.41 -0.23 0.00 0.00 178.00 177.98 1ssn n GLY 124 N -1.42 -0.85 3.76 1.56 0.00 -1.26 -2.09 105.19 104.89 1ssn n GLY 124 Ca 0.04 0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.05 3.08 -0.49 1.61 0.40 -0.74 -1.70 117.98 117.09 1ssn s PHE 125 Ca 0.06 1.38 0.03 0.00 -0.60 0.00 0.00 56.93 57.80 1ssn s PHE 125 Cb -0.01 -3.67 0.14 0.00 0.51 0.00 0.00 43.02 39.99 1ssn s PHE 125 CO 0.51 -1.89 0.28 -0.80 0.70 0.00 0.00 175.22 174.03 1ssn s ASN 126 N -0.37 3.74 -0.72 1.36 -0.87 -1.16 -1.74 114.94 115.19 1ssn s ASN 126 Ca 0.50 -2.88 -0.26 0.00 -1.57 0.00 0.00 52.86 48.64 1ssn s ASN 126 Cb -0.39 -1.17 0.01 0.00 -0.02 0.00 0.00 41.25 39.67 1ssn s ASN 126 CO 0.51 -0.23 1.57 -0.76 -2.57 0.00 0.00 177.10 175.61 1ssn s LEU 127 N -0.01 3.24 -0.33 0.60 2.01 -0.41 -2.28 118.68 121.49 1ssn s LEU 127 Ca 0.20 -0.21 -0.01 0.00 0.01 0.00 0.00 54.13 54.12 1ssn s LEU 127 Cb -0.20 -2.55 0.11 0.00 0.01 0.00 0.00 46.19 43.57 1ssn s LEU 127 CO -0.04 -2.09 0.15 -0.63 1.01 0.00 0.00 176.35 174.75 1ssn s ILE 128 N 7.30 0.65 0.28 -0.59 1.01 -1.19 -1.80 121.20 126.86 1ssn s ILE 128 Ca 0.51 -1.51 -0.19 0.00 0.00 0.00 0.00 60.65 59.46 1ssn s ILE 128 Cb -0.09 -1.49 -0.09 0.00 0.01 0.00 0.00 42.46 40.80 1ssn s ILE 128 CO 0.15 -0.78 0.76 -0.89 0.00 0.00 0.00 174.94 174.18 1ssn s THR 129 N 1.42 4.57 -0.18 2.92 2.01 -1.23 -4.26 115.64 120.88 1ssn s THR 129 Ca 0.12 1.22 -0.25 0.00 0.31 0.00 0.00 61.69 63.09 1ssn s THR 129 Cb -0.19 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 1ssn s THR 129 CO -0.19 0.03 0.85 -0.75 -0.69 0.00 0.00 174.62 173.86 1ssn s LYS 130 N -2.42 4.28 -0.02 4.92 2.36 -1.26 -1.43 119.74 126.17 1ssn s LYS 130 Ca 0.49 1.03 0.04 0.00 -2.55 0.00 0.00 55.97 54.97 1ssn s LYS 130 Cb -0.14 -3.59 -0.00 0.00 -1.05 0.00 0.00 37.83 33.05 1ssn s LYS 130 CO 0.19 -0.38 -0.13 0.14 1.55 0.00 0.00 175.35 176.73 1ssn s VAL 131 N 2.33 1.05 -0.52 4.02 -7.23 -1.19 -2.56 120.40 116.30 1ssn s VAL 131 Ca 0.38 -0.53 -0.17 0.00 -1.81 0.00 0.00 61.98 59.85 1ssn s VAL 131 Cb -0.16 -0.90 0.09 0.00 0.56 0.00 0.00 36.38 35.96 1ssn s VAL 131 CO 0.11 0.31 0.54 -0.69 -0.31 0.00 0.00 175.10 175.06 1ssn s VAL 132 N -0.03 5.06 -0.10 1.32 1.01 -1.13 -2.65 120.40 123.87 1ssn s VAL 132 Ca -0.00 -0.99 -0.28 0.00 0.00 0.00 0.00 61.98 60.71 1ssn s VAL 132 Cb -0.08 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 1ssn s VAL 132 CO 0.01 -0.80 0.92 -0.63 0.00 0.00 0.00 175.10 174.59 1ssn s ILE 133 N 2.09 4.86 -0.11 2.22 1.01 -0.01 -1.18 121.20 130.09 1ssn s ILE 133 Ca 0.08 1.86 -0.06 0.00 0.00 0.00 0.00 60.65 62.53 1ssn s ILE 133 Cb -0.24 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 1ssn s ILE 133 CO 0.07 0.06 0.14 -1.83 0.00 0.00 0.00 174.94 173.38 1ssn s GLU 134 N 1.76 3.41 -0.09 2.79 -1.05 -1.26 -4.44 118.70 119.82 1ssn s GLU 134 Ca 0.45 -0.17 -0.01 0.00 -0.15 0.00 0.00 54.97 55.09 1ssn s GLU 134 Cb -0.18 -3.16 -0.03 0.00 -0.44 0.00 0.00 34.13 30.32 1ssn s GLU 134 CO 0.18 0.76 -0.03 -1.59 0.95 0.00 0.00 175.26 175.53 1ssn s LYS 135 N -1.11 3.01 0.00 -4.83 -2.85 -1.26 -1.97 119.74 110.73 1ssn s LYS 135 Ca 0.16 -0.49 0.00 0.00 -1.00 0.00 0.00 55.97 54.65 1ssn s LYS 135 Cb -0.12 -2.73 0.00 0.00 -2.06 0.00 0.00 37.83 32.92 1ssn s LYS 135 CO 0.05 0.61 0.00 0.36 0.10 0.00 0.00 175.35 176.47