#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g2k n SER 2 N 0.00 0.25 -3.82 1.45 7.64 -1.26 -4.96 113.62 112.91 2g2k n SER 2 Ca 0.00 0.01 -0.12 0.00 1.01 0.00 0.00 58.87 59.77 2g2k n SER 2 Cb 0.00 1.58 -0.09 0.00 -1.01 0.00 0.00 64.21 64.69 2g2k n SER 2 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2g2k s VAL 3 N -3.45 0.07 0.50 0.44 1.01 -1.26 -5.15 120.40 112.57 2g2k s VAL 3 Ca -0.05 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 2g2k s VAL 3 Cb 0.13 -0.50 -0.08 0.00 0.00 0.00 0.00 36.38 35.93 2g2k s VAL 3 CO 0.88 -0.32 1.02 0.20 0.00 0.00 0.00 175.10 176.89 2g2k s ASN 4 N -1.30 6.33 0.61 3.32 0.02 -1.26 -4.91 114.94 117.75 2g2k s ASN 4 Ca -0.14 1.83 0.33 0.00 -1.02 0.00 0.00 52.86 53.86 2g2k s ASN 4 Cb -0.06 -2.55 1.92 0.00 0.02 0.00 0.00 41.25 40.58 2g2k s ASN 4 CO 0.03 -0.79 2.25 0.58 0.02 0.00 0.00 177.10 179.19 2g2k h VAL 5 N 1.29 0.40 -5.64 1.60 2.07 -2.03 -3.47 116.25 110.47 2g2k h VAL 5 Ca -0.49 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.94 2g2k h VAL 5 Cb 1.21 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2g2k h VAL 5 CO 0.59 0.00 -0.78 0.59 0.02 0.00 0.00 177.57 177.99 2g2k n ASN 6 N -3.66 -7.30 0.21 0.57 5.03 -1.26 -4.82 115.26 104.04 2g2k n ASN 6 Ca -0.02 0.50 0.15 0.00 0.87 0.00 0.00 54.58 56.08 2g2k n ASN 6 Cb 0.12 -4.25 0.63 0.00 -1.02 0.00 0.00 39.78 35.27 2g2k n ASN 6 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.26 175.51 2g2k h ARG 7 N 2.28 0.00 0.00 3.52 0.11 -2.04 -2.35 114.38 115.90 2g2k h ARG 7 Ca -0.14 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.94 2g2k h ARG 7 Cb 0.95 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.03 2g2k h ARG 7 CO 0.18 0.00 0.00 0.43 0.10 0.00 0.00 179.97 180.68 2g2k n SER 8 N -2.70 0.00 -0.19 0.08 7.64 -1.26 -3.59 113.62 113.60 2g2k n SER 8 Ca 0.01 -0.75 -0.04 0.00 1.01 0.00 0.00 58.87 59.09 2g2k n SER 8 Cb 0.25 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.51 2g2k n SER 8 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2g2k h VAL 9 N 0.00 1.01 -6.71 0.44 2.07 -1.74 -3.46 116.25 107.86 2g2k h VAL 9 Ca 0.00 -0.21 -0.54 0.00 0.82 0.00 0.00 66.70 66.77 2g2k h VAL 9 Cb 0.00 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2g2k h VAL 9 CO 0.00 0.11 -0.99 0.23 0.02 0.00 0.00 177.57 176.94 2g2k n MET 10 N -4.81 -0.64 -3.77 1.57 2.81 -1.24 -4.91 117.12 106.13 2g2k n MET 10 Ca 0.05 0.27 -0.37 0.00 -1.81 0.00 0.00 57.70 55.84 2g2k n MET 10 Cb 0.12 -2.94 -0.13 0.00 -0.71 0.00 0.00 33.22 29.56 2g2k n MET 10 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2g2k s ASP 11 N -3.44 5.22 0.18 7.83 2.15 -1.26 -4.94 116.67 122.41 2g2k s ASP 11 Ca 0.43 -1.04 0.23 0.00 0.43 0.00 0.00 52.55 52.60 2g2k s ASP 11 Cb -0.21 -1.86 0.90 0.00 -0.30 0.00 0.00 42.92 41.46 2g2k s ASP 11 CO 0.93 -0.29 1.71 1.67 -0.17 0.00 0.00 175.17 179.03 2g2k n GLN 12 N 4.81 0.17 -0.53 4.34 -0.06 -1.26 -2.90 117.38 121.94 2g2k n GLN 12 Ca -0.13 0.30 0.44 0.00 -2.00 0.00 0.00 57.00 55.61 2g2k n GLN 12 Cb 0.45 -1.76 0.77 0.00 -4.06 0.00 0.00 30.24 25.64 2g2k n GLN 12 CO 0.00 0.00 0.00 0.74 -0.20 0.00 0.00 177.06 177.60 2g2k h PHE 13 N 0.00 0.10 0.00 3.69 -1.00 -1.97 -3.41 116.94 114.35 2g2k h PHE 13 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2g2k h PHE 13 Cb 0.47 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.00 2g2k h PHE 13 CO 0.00 -0.03 0.00 0.98 -1.61 0.00 0.00 178.31 177.65 2g2k n TYR 14 N -4.15 0.00 -0.74 -0.55 9.36 -1.23 -5.00 117.16 114.86 2g2k n TYR 14 Ca 0.37 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.50 2g2k n TYR 14 Cb 1.65 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 40.24 2g2k n TYR 14 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2g2k n ARG 15 N 0.00 1.47 -3.99 2.98 1.74 -1.14 -4.76 116.66 112.96 2g2k n ARG 15 Ca 0.00 -0.72 -0.17 0.00 -0.77 0.00 0.00 57.85 56.19 2g2k n ARG 15 Cb 0.00 -1.84 -0.16 0.00 -1.02 0.00 0.00 32.46 29.44 2g2k n ARG 15 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2g2k s TYR 16 N 1.44 0.36 -0.14 -1.55 5.04 -1.26 -4.55 117.35 116.69 2g2k s TYR 16 Ca 0.48 -0.04 -0.01 0.00 -2.44 0.00 0.00 57.07 55.06 2g2k s TYR 16 Cb 0.23 -0.38 -0.02 0.00 0.35 0.00 0.00 41.96 42.14 2g2k s TYR 16 CO 0.00 -0.10 -0.10 0.15 -1.34 0.00 0.00 175.55 174.15 2g2k s LYS 17 N 0.71 3.46 -0.32 4.97 1.02 -1.26 -5.05 119.74 123.27 2g2k s LYS 17 Ca -0.07 -0.64 0.01 0.00 0.02 0.00 0.00 55.97 55.29 2g2k s LYS 17 Cb -0.11 -2.72 0.15 0.00 -0.52 0.00 0.00 37.83 34.63 2g2k s LYS 17 CO -0.01 0.20 0.34 1.41 -0.92 0.00 0.00 175.35 176.37 2g2k s MET 18 N 0.40 0.44 0.00 1.68 1.75 -1.26 -5.07 119.30 117.24 2g2k s MET 18 Ca -0.08 -0.35 0.00 0.00 -1.25 0.00 0.00 55.69 54.01 2g2k s MET 18 Cb -0.15 -0.63 0.00 0.00 2.84 0.00 0.00 34.83 36.89 2g2k s MET 18 CO 0.05 -1.09 0.00 -0.35 -0.65 0.00 0.00 175.02 172.98 2g2k n PRO 19 N 4.95 0.00 0.00 4.11 -0.04 -1.26 -5.05 135.00 137.71 2g2k n PRO 19 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2g2k n PRO 19 Cb 0.46 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 2g2k n PRO 19 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2g2k n ARG 20 N -0.00 0.00 -3.43 0.54 1.85 -1.26 -5.11 116.66 109.24 2g2k n ARG 20 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.47 2g2k n ARG 20 Cb 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.32 2g2k n ARG 20 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2g2k s LEU 21 N 0.00 4.09 -0.22 2.89 2.96 -1.26 -4.87 118.68 122.26 2g2k s LEU 21 Ca 0.00 0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 54.20 2g2k s LEU 21 Cb 0.00 -2.40 -0.01 0.00 0.50 0.00 0.00 46.19 44.28 2g2k s LEU 21 CO 0.00 -0.11 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.27 2g2k s ILE 22 N 1.67 3.53 -0.13 6.68 1.01 -1.26 -4.82 121.20 127.87 2g2k s ILE 22 Ca 0.15 -0.44 -0.02 0.00 0.00 0.00 0.00 60.65 60.34 2g2k s ILE 22 Cb -0.15 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 2g2k s ILE 22 CO 0.09 0.41 -0.06 0.00 0.00 0.00 0.00 174.94 175.37 2g2k s ALA 23 N 1.47 2.92 -0.07 9.38 0.00 -1.26 -3.93 121.76 130.27 2g2k s ALA 23 Ca 0.06 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.20 2g2k s ALA 23 Cb -0.14 -1.41 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 2g2k s ALA 23 CO -0.02 0.30 -0.17 0.15 0.00 0.00 0.00 175.76 176.02 2g2k s LYS 24 N 0.09 2.76 -0.26 0.00 1.02 -0.86 -4.78 119.74 117.72 2g2k s LYS 24 Ca -0.02 -0.76 -0.12 0.00 0.02 0.00 0.00 55.97 55.09 2g2k s LYS 24 Cb -0.14 -2.38 -0.05 0.00 -0.52 0.00 0.00 37.83 34.75 2g2k s LYS 24 CO 0.03 0.43 0.22 0.08 -0.92 0.00 0.00 175.35 175.19 2g2k s VAL 25 N -0.25 5.30 -0.03 3.17 1.01 -1.26 -0.51 120.40 127.84 2g2k s VAL 25 Ca 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 2g2k s VAL 25 Cb -0.13 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.71 2g2k s VAL 25 CO 0.03 0.28 0.06 -0.70 0.00 0.00 0.00 175.10 174.76 2g2k s GLU 26 N 1.49 0.04 0.00 2.72 -6.30 -1.10 -4.86 118.70 110.68 2g2k s GLU 26 Ca 0.09 0.14 0.00 0.00 -2.50 0.00 0.00 54.97 52.70 2g2k s GLU 26 Cb -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 34.13 33.91 2g2k s GLU 26 CO 0.08 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.70 2g2k n GLY 27 N 3.49 -1.64 3.13 -1.50 0.00 -1.26 -3.62 105.19 103.78 2g2k n GLY 27 Ca -0.18 0.71 -0.10 0.00 0.00 0.00 0.00 46.02 46.45 2g2k n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g2k s LYS 28 N 0.00 0.62 1.00 1.61 1.02 -1.26 -4.82 119.74 117.91 2g2k s LYS 28 Ca 0.00 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.25 2g2k s LYS 28 Cb 0.00 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.56 2g2k s LYS 28 CO 0.00 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.68 2g2k n GLY 29 N 0.72 0.36 0.01 -3.33 0.00 -1.26 0.19 105.19 101.88 2g2k n GLY 29 Ca -0.19 0.37 0.11 0.00 0.00 0.00 0.00 46.02 46.32 2g2k n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2g2k n ASN 30 N 2.28 0.14 -1.23 1.61 6.94 -1.26 -5.07 115.26 118.67 2g2k n ASN 30 Ca 0.00 -0.14 0.00 0.00 -0.02 0.00 0.00 54.58 54.42 2g2k n ASN 30 Cb 0.00 1.86 0.00 0.00 -2.36 0.00 0.00 39.78 39.28 2g2k n ASN 30 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2g2k n GLY 31 N 1.29 -2.84 1.05 4.83 0.00 0.51 -4.77 105.19 105.26 2g2k n GLY 31 Ca -0.03 -0.49 0.10 0.00 0.00 0.00 0.00 46.02 45.60 2g2k n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2g2k n ILE 32 N 0.01 0.84 -3.75 -0.61 2.08 -1.26 -4.53 119.36 112.13 2g2k n ILE 32 Ca 0.00 -0.92 -0.28 0.00 0.56 0.00 0.00 62.75 62.11 2g2k n ILE 32 Cb 0.00 0.65 -0.04 0.00 -0.75 0.00 0.00 39.64 39.50 2g2k n ILE 32 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2g2k s LYS 33 N -1.10 3.52 -0.18 0.38 2.20 -1.24 0.28 119.74 123.60 2g2k s LYS 33 Ca 0.37 -0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.64 2g2k s LYS 33 Cb 0.20 -2.88 0.01 0.00 -1.51 0.00 0.00 37.83 33.65 2g2k s LYS 33 CO 0.27 0.46 -0.17 -0.08 -0.36 0.00 0.00 175.35 175.47 2g2k s THR 34 N -1.76 2.40 -0.27 3.43 -1.32 -0.36 -2.72 115.64 115.03 2g2k s THR 34 Ca 0.38 -0.84 -0.07 0.00 -1.21 0.00 0.00 61.69 59.95 2g2k s THR 34 Cb -0.11 -2.02 -0.01 0.00 -1.51 0.00 0.00 72.50 68.85 2g2k s THR 34 CO 0.28 0.52 0.07 0.54 -2.21 0.00 0.00 174.62 173.82 2g2k s VAL 35 N 1.17 4.13 -0.46 5.08 0.11 0.33 0.16 120.40 130.92 2g2k s VAL 35 Ca 0.02 -0.42 -0.18 0.00 -2.93 0.00 0.00 61.98 58.46 2g2k s VAL 35 Cb -0.14 -3.02 0.04 0.00 -1.53 0.00 0.00 36.38 31.73 2g2k s VAL 35 CO -0.07 0.22 0.52 -0.63 -3.33 0.00 0.00 175.10 171.81 2g2k s ILE 36 N 1.56 5.00 -1.95 7.04 1.01 -0.62 -2.02 121.20 131.23 2g2k s ILE 36 Ca 0.05 -0.41 0.22 0.00 0.00 0.00 0.00 60.65 60.51 2g2k s ILE 36 Cb -0.16 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.14 2g2k s ILE 36 CO 0.03 -0.59 1.05 0.55 0.00 0.00 0.00 174.94 175.99 2g2k n VAL 37 N 5.53 0.00 0.54 2.92 3.14 -1.25 -4.11 118.33 125.09 2g2k n VAL 37 Ca -0.07 -0.26 0.06 0.00 -2.96 0.00 0.00 64.34 61.11 2g2k n VAL 37 Cb 0.46 1.25 0.04 0.00 -1.06 0.00 0.00 33.84 34.53 2g2k n VAL 37 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2g2k n ASN 38 N -0.06 1.89 -0.15 6.55 4.05 -1.26 -4.55 115.26 121.73 2g2k n ASN 38 Ca 0.09 -1.45 -0.09 0.00 0.45 0.00 0.00 54.58 53.58 2g2k n ASN 38 Cb 0.45 0.12 -0.00 0.00 1.23 0.00 0.00 39.78 41.58 2g2k n ASN 38 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 177.26 174.18 2g2k h MET 39 N 2.24 0.68 -0.35 1.20 4.05 -1.88 -1.36 114.93 119.50 2g2k h MET 39 Ca 0.00 -0.15 -0.16 0.00 -0.28 0.00 0.00 59.70 59.10 2g2k h MET 39 Cb 0.51 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.21 2g2k h MET 39 CO 0.00 0.67 -0.43 -0.24 0.23 0.00 0.00 176.91 177.14 2g2k h VAL 40 N 0.56 1.28 0.07 -5.77 3.04 -1.86 0.16 116.25 113.72 2g2k h VAL 40 Ca 0.14 -1.61 -0.00 0.00 -1.01 0.00 0.00 66.70 64.21 2g2k h VAL 40 Cb 0.28 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 31.02 2g2k h VAL 40 CO -0.00 0.53 -0.03 -0.78 -1.01 0.00 0.00 177.57 176.28 2g2k h ASP 41 N 0.71 -0.07 -0.22 3.17 3.58 -1.77 0.91 116.42 122.73 2g2k h ASP 41 Ca 0.05 -0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.32 2g2k h ASP 41 Cb 1.02 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 2g2k h ASP 41 CO 0.10 0.07 -0.12 1.62 -2.88 0.00 0.00 179.24 178.03 2g2k h VAL 42 N -0.21 1.31 -0.26 2.25 3.04 -1.27 -2.24 116.25 118.86 2g2k h VAL 42 Ca -0.01 -1.19 -0.11 0.00 -1.01 0.00 0.00 66.70 64.38 2g2k h VAL 42 Cb 0.18 1.62 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 2g2k h VAL 42 CO 0.01 0.37 -0.28 0.00 -1.01 0.00 0.00 177.57 176.66 2g2k h ALA 43 N 0.70 1.02 -0.36 3.17 0.00 -0.91 -2.86 119.26 120.03 2g2k h ALA 43 Ca 0.05 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 2g2k h ALA 43 Cb 0.62 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2g2k h ALA 43 CO 0.03 0.59 -0.21 -0.22 0.00 0.00 0.00 179.25 179.44 2g2k h LYS 44 N 0.46 0.69 0.00 0.00 3.64 0.99 2.43 116.57 124.77 2g2k h LYS 44 Ca 0.06 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.16 2g2k h LYS 44 Cb 0.73 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2g2k h LYS 44 CO 0.06 0.84 -0.09 0.00 -2.27 0.00 0.00 179.45 177.99 2g2k h ALA 45 N 1.16 1.00 -0.00 5.00 0.00 -1.22 -3.21 119.26 121.99 2g2k h ALA 45 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2g2k h ALA 45 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2g2k h ALA 45 CO 0.05 0.11 -0.12 -0.11 0.00 0.00 0.00 179.25 179.18 2g2k n LEU 46 N -3.20 0.22 0.00 0.00 0.00 -1.00 -5.10 117.00 107.92 2g2k n LEU 46 Ca 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 56.01 55.48 2g2k n LEU 46 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.80 2g2k n LEU 46 CO 0.30 0.05 0.00 -3.20 0.00 0.00 0.00 177.39 174.55 2g2k n ASN 47 N -0.96 0.00 -4.99 1.96 2.85 0.81 -5.06 115.26 109.88 2g2k n ASN 47 Ca 0.01 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.28 2g2k n ASN 47 Cb 0.04 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.09 2g2k n ASN 47 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2g2k s ARG 48 N -0.86 2.74 0.04 1.20 0.52 -1.20 -2.91 118.95 118.48 2g2k s ARG 48 Ca 0.00 -0.96 -0.30 0.00 -0.52 0.00 0.00 55.73 53.95 2g2k s ARG 48 Cb 0.00 -2.63 -0.06 0.00 0.52 0.00 0.00 34.95 32.79 2g2k s ARG 48 CO 0.00 -0.45 1.30 -1.25 0.02 0.00 0.00 175.30 174.93 2g2k s PRO 49 N -4.54 4.35 0.00 3.54 0.04 -1.26 -4.53 135.00 132.60 2g2k s PRO 49 Ca 0.55 1.88 -0.03 0.00 0.04 0.00 0.00 61.00 63.44 2g2k s PRO 49 Cb -0.10 -3.43 -0.14 0.00 0.04 0.00 0.00 34.50 30.87 2g2k s PRO 49 CO 0.36 -0.42 2.44 -0.35 0.04 0.00 0.00 177.00 179.06 2g2k n PRO 50 N 4.56 1.27 0.22 0.56 -0.04 -1.26 -4.39 135.00 135.92 2g2k n PRO 50 Ca 0.11 -0.52 0.08 0.00 -0.04 0.00 0.00 63.50 63.13 2g2k n PRO 50 Cb 0.45 -1.64 0.52 0.00 -0.04 0.00 0.00 33.50 32.78 2g2k n PRO 50 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2g2k h THR 51 N 1.94 0.79 0.13 0.52 1.35 -1.99 -0.85 112.91 114.80 2g2k h THR 51 Ca 0.10 -1.00 -0.01 0.00 -0.55 0.00 0.00 66.41 64.95 2g2k h THR 51 Cb 1.02 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 2g2k h THR 51 CO 0.21 0.24 -0.06 1.88 -0.25 0.00 0.00 175.52 177.53 2g2k h TYR 52 N 0.00 -0.16 0.00 4.73 0.05 -2.01 -3.27 116.97 116.31 2g2k h TYR 52 Ca -0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 2g2k h TYR 52 Cb 0.59 0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.39 2g2k h TYR 52 CO 0.00 0.30 0.00 -1.00 -1.05 0.00 0.00 178.16 176.41 2g2k h PRO 53 N -0.88 0.00 0.00 4.88 0.13 -1.91 -2.92 132.00 131.30 2g2k h PRO 53 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2g2k h PRO 53 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 2g2k h PRO 53 CO 0.03 0.00 0.18 1.15 -0.23 0.00 0.00 178.00 179.13 2g2k h THR 54 N 0.00 0.00 -0.18 1.56 2.02 -1.20 -0.76 112.91 114.36 2g2k h THR 54 Ca 0.00 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 66.98 2g2k h THR 54 Cb 0.49 0.72 0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2g2k h THR 54 CO 0.00 0.00 -0.66 0.50 0.37 0.00 0.00 175.52 175.73 2g2k h LYS 55 N 0.00 0.76 -0.10 6.66 3.64 -1.69 -2.97 116.57 122.87 2g2k h LYS 55 Ca 0.00 -0.58 0.01 0.00 -1.27 0.00 0.00 60.65 58.81 2g2k h LYS 55 Cb 0.35 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2g2k h LYS 55 CO 0.00 1.20 0.00 1.88 -2.27 0.00 0.00 179.45 180.26 2g2k h TYR 56 N 0.48 0.00 -0.70 1.91 0.05 -1.35 -1.51 116.97 115.85 2g2k h TYR 56 Ca -0.03 0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.83 2g2k h TYR 56 Cb 1.29 0.01 -0.04 0.00 1.01 0.00 0.00 36.73 39.00 2g2k h TYR 56 CO 0.09 -0.01 0.46 0.74 -1.05 0.00 0.00 178.16 178.40 2g2k h PHE 57 N 0.04 0.71 -0.35 4.88 0.04 -1.61 -0.02 116.94 120.63 2g2k h PHE 57 Ca 0.04 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 2g2k h PHE 57 Cb 0.05 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 37.95 2g2k h PHE 57 CO -0.12 0.37 -0.08 0.78 -0.60 0.00 0.00 178.31 178.66 2g2k h GLY 58 N 0.69 0.62 0.86 -1.45 0.00 -1.14 -2.45 103.07 100.20 2g2k h GLY 58 Ca 0.31 -0.42 0.08 0.00 0.00 0.00 0.00 47.33 47.30 2g2k h GLY 58 CO -0.10 0.39 0.53 0.00 0.00 0.00 0.00 176.54 177.36 2g2k h GLU 60 N 0.82 0.08 -0.19 0.00 4.57 -1.38 -2.66 114.58 115.82 2g2k h GLU 60 Ca 0.37 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.53 2g2k h GLU 60 Cb 0.35 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2g2k h GLU 60 CO -0.14 0.32 0.00 1.47 -1.18 0.00 0.00 179.01 179.48 2g2k n LEU 61 N -4.91 0.19 0.00 1.64 -0.00 -0.89 -4.81 117.00 108.23 2g2k n LEU 61 Ca -0.07 -0.10 0.00 0.00 -0.00 0.00 0.00 56.01 55.84 2g2k n LEU 61 Cb 0.16 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 2g2k n LEU 61 CO 0.34 0.05 0.00 0.61 -0.00 0.00 0.00 177.39 178.39 2g2k n GLY 62 N 0.40 0.28 3.57 1.47 0.00 -0.60 -4.92 105.19 105.38 2g2k n GLY 62 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2g2k n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g2k s ALA 63 N -1.74 3.02 0.00 4.61 0.00 -0.12 -4.95 121.76 122.58 2g2k s ALA 63 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 49.96 2g2k s ALA 63 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.90 2g2k s ALA 63 CO 0.00 0.11 0.00 1.04 0.00 0.00 0.00 175.76 176.91 2g2k n GLN 64 N -0.83 0.00 -4.04 0.00 6.02 -1.26 -2.97 117.38 114.30 2g2k n GLN 64 Ca -0.05 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.84 2g2k n GLN 64 Cb 0.62 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.82 2g2k n GLN 64 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2g2k s THR 65 N 3.05 0.00 -0.01 5.09 -4.23 -1.26 -3.32 115.64 114.96 2g2k s THR 65 Ca 0.00 -1.53 -0.01 0.00 -1.18 0.00 0.00 61.69 58.97 2g2k s THR 65 Cb 0.00 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.56 2g2k s THR 65 CO 0.00 0.00 0.04 -1.10 -0.54 0.00 0.00 174.62 173.02 2g2k s GLN 66 N -3.99 0.04 0.02 3.99 -1.52 0.56 -4.81 119.66 113.94 2g2k s GLN 66 Ca 0.26 0.05 0.06 0.00 -1.95 0.00 0.00 55.36 53.78 2g2k s GLN 66 Cb 0.01 0.01 -0.02 0.00 -0.22 0.00 0.00 33.01 32.79 2g2k s GLN 66 CO 0.10 -0.01 -0.18 -0.06 -0.25 0.00 0.00 175.29 174.89 2g2k s PHE 67 N 0.06 1.59 -0.18 0.91 0.08 -1.26 -0.77 117.98 118.41 2g2k s PHE 67 Ca -0.00 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.72 2g2k s PHE 67 Cb -0.01 -0.98 0.03 0.00 -0.57 0.00 0.00 43.02 41.49 2g2k s PHE 67 CO -0.00 0.03 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.50 2g2k s ASP 68 N -0.85 3.14 -0.07 1.36 1.11 -0.33 -4.97 116.67 116.07 2g2k s ASP 68 Ca 0.06 -0.72 -0.03 0.00 0.18 0.00 0.00 52.55 52.04 2g2k s ASP 68 Cb -0.08 -1.29 -0.01 0.00 1.07 0.00 0.00 42.92 42.61 2g2k s ASP 68 CO 0.01 -0.08 -0.06 0.58 1.18 0.00 0.00 175.17 176.80 2g2k h VAL 69 N 6.19 0.00 0.00 -1.27 2.07 -1.94 1.10 116.25 122.40 2g2k h VAL 69 Ca -0.35 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.59 2g2k h VAL 69 Cb 1.12 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2g2k h VAL 69 CO 0.53 0.00 0.16 0.07 0.02 0.00 0.00 177.57 178.35 2g2k h LYS 70 N -0.58 0.00 0.00 1.57 2.10 -1.99 -0.27 116.57 117.40 2g2k h LYS 70 Ca 0.00 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.36 2g2k h LYS 70 Cb 0.16 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.44 2g2k h LYS 70 CO 0.00 0.00 -2.12 -1.71 -2.00 0.00 0.00 179.45 173.62 2g2k n ASN 71 N -2.49 0.94 -0.50 7.07 5.15 -1.25 -4.98 115.26 119.20 2g2k n ASN 71 Ca -0.02 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.90 2g2k n ASN 71 Cb 0.20 0.94 -0.03 0.00 -0.53 0.00 0.00 39.78 40.36 2g2k n ASN 71 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2g2k n ASP 72 N -2.59 -4.42 -4.38 1.20 8.00 0.38 -4.98 116.55 109.76 2g2k n ASP 72 Ca -0.26 0.16 -0.33 0.00 0.71 0.00 0.00 54.79 55.07 2g2k n ASP 72 Cb 1.02 -2.49 -0.14 0.00 -0.02 0.00 0.00 41.12 39.49 2g2k n ASP 72 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2g2k s ARG 73 N -2.16 3.41 -0.07 -1.24 3.52 -1.04 -4.91 118.95 116.46 2g2k s ARG 73 Ca 0.00 -0.67 0.02 0.00 -0.13 0.00 0.00 55.73 54.95 2g2k s ARG 73 Cb 0.00 -2.67 -0.02 0.00 -1.56 0.00 0.00 34.95 30.70 2g2k s ARG 73 CO 0.00 0.19 -0.13 0.71 -0.81 0.00 0.00 175.30 175.26 2g2k s TYR 74 N 0.41 2.75 0.06 5.12 2.02 -1.26 -1.18 117.35 125.27 2g2k s TYR 74 Ca -0.10 -0.22 0.05 0.00 -0.37 0.00 0.00 57.07 56.43 2g2k s TYR 74 Cb -0.16 -1.68 -0.03 0.00 -0.40 0.00 0.00 41.96 39.69 2g2k s TYR 74 CO 0.05 0.13 -0.14 -1.50 -1.57 0.00 0.00 175.55 172.52 2g2k s ILE 75 N -0.53 1.10 -0.05 2.71 2.07 0.05 -1.58 121.20 124.96 2g2k s ILE 75 Ca 0.07 -1.18 0.04 0.00 -1.41 0.00 0.00 60.65 58.17 2g2k s ILE 75 Cb -0.12 -1.03 -0.02 0.00 0.13 0.00 0.00 42.46 41.41 2g2k s ILE 75 CO 0.02 -0.14 -0.15 -0.69 -1.91 0.00 0.00 174.94 172.06 2g2k s VAL 76 N -1.12 2.96 0.33 4.00 1.01 0.41 0.21 120.40 128.20 2g2k s VAL 76 Ca -0.01 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 2g2k s VAL 76 Cb -0.09 -2.15 -0.10 0.00 0.00 0.00 0.00 36.38 34.03 2g2k s VAL 76 CO 0.02 0.59 1.28 0.20 0.00 0.00 0.00 175.10 177.18 2g2k s ASN 77 N -0.64 6.83 0.00 3.32 0.01 -1.21 -1.24 114.94 122.02 2g2k s ASN 77 Ca 0.09 2.63 0.00 0.00 -0.71 0.00 0.00 52.86 54.88 2g2k s ASN 77 Cb -0.11 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 38.90 2g2k s ASN 77 CO 0.01 -0.49 0.00 0.61 -1.51 0.00 0.00 177.10 175.72 2g2k n GLY 78 N 0.84 2.52 3.73 0.66 0.00 -1.20 -4.50 105.19 107.25 2g2k n GLY 78 Ca -0.00 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 2g2k n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2g2k s SER 79 N 0.00 7.44 -0.07 1.61 1.04 0.78 -1.22 113.70 123.29 2g2k s SER 79 Ca 0.00 1.73 -0.03 0.00 0.48 0.00 0.00 55.95 58.13 2g2k s SER 79 Cb 0.00 -2.57 0.04 0.00 0.10 0.00 0.00 66.02 63.59 2g2k s SER 79 CO 0.00 -0.10 0.13 -1.00 0.98 0.00 0.00 173.24 173.25 2g2k s HIS 80 N 0.22 -0.10 0.54 5.02 3.76 -1.26 -4.93 115.29 118.53 2g2k s HIS 80 Ca 0.47 0.49 -0.10 0.00 -0.15 0.00 0.00 55.06 55.78 2g2k s HIS 80 Cb -0.23 -0.33 -0.05 0.00 1.11 0.00 0.00 32.58 33.08 2g2k s HIS 80 CO 0.29 -0.25 0.92 -2.00 -0.85 0.00 0.00 174.74 172.85 2g2k s GLU 81 N 2.25 3.64 0.25 1.40 2.12 -1.26 -4.78 118.70 122.33 2g2k s GLU 81 Ca 0.04 0.57 -0.03 0.00 0.36 0.00 0.00 54.97 55.92 2g2k s GLU 81 Cb -0.12 -2.21 0.50 0.00 0.26 0.00 0.00 34.13 32.56 2g2k s GLU 81 CO -0.05 -0.36 1.73 0.00 -0.54 0.00 0.00 175.26 176.04 2g2k h ALA 82 N 0.17 1.15 -0.23 6.30 0.00 -1.88 0.48 119.26 125.26 2g2k h ALA 82 Ca -0.46 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2g2k h ALA 82 Cb 1.19 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2g2k h ALA 82 CO 0.62 -0.19 -0.11 -0.97 0.00 0.00 0.00 179.25 178.60 2g2k h ASN 83 N 0.48 0.36 -0.66 0.00 -1.24 -1.92 -2.29 115.58 110.31 2g2k h ASN 83 Ca 0.44 -0.08 0.02 0.00 0.71 0.00 0.00 56.30 57.39 2g2k h ASN 83 Cb 0.67 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.60 2g2k h ASN 83 CO -0.41 0.50 0.44 0.50 -1.29 0.00 0.00 177.43 177.17 2g2k h LYS 84 N 0.35 0.81 -0.33 6.67 3.11 -0.40 -1.06 116.57 125.73 2g2k h LYS 84 Ca 0.07 -0.05 0.03 0.00 -2.81 0.00 0.00 60.65 57.90 2g2k h LYS 84 Cb 0.41 -0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.44 2g2k h LYS 84 CO 0.02 0.54 0.22 -0.07 -2.81 0.00 0.00 179.45 177.36 2g2k h LEU 85 N 0.84 0.27 -0.78 5.20 3.38 -0.80 -0.34 115.31 123.09 2g2k h LEU 85 Ca 0.25 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 2g2k h LEU 85 Cb -0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2g2k h LEU 85 CO -0.06 0.19 -0.36 1.56 0.09 0.00 0.00 178.44 179.86 2g2k h GLN 86 N 0.32 0.50 -0.38 1.13 1.08 -1.26 -3.13 115.11 113.37 2g2k h GLN 86 Ca 0.14 -0.23 0.02 0.00 -1.45 0.00 0.00 58.65 57.13 2g2k h GLN 86 Cb 0.16 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 2g2k h GLN 86 CO -0.03 0.79 0.21 0.22 -0.95 0.00 0.00 178.83 179.07 2g2k h ASP 87 N 0.42 0.33 -0.39 1.46 1.82 -0.95 -1.29 116.42 117.82 2g2k h ASP 87 Ca 0.05 0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.67 2g2k h ASP 87 Cb 0.82 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.76 2g2k h ASP 87 CO 0.07 0.24 0.14 0.00 -1.61 0.00 0.00 179.24 178.07 2g2k h MET 88 N 0.43 0.60 -0.72 0.28 -0.00 -1.54 -0.03 114.93 113.95 2g2k h MET 88 Ca 0.15 -0.12 0.19 0.00 -0.00 0.00 0.00 59.70 59.92 2g2k h MET 88 Cb 0.03 -0.09 -0.04 0.00 -0.00 0.00 0.00 31.60 31.50 2g2k h MET 88 CO -0.09 0.59 0.51 1.25 -0.00 0.00 0.00 176.91 179.17 2g2k h LEU 89 N 0.49 0.11 -0.59 -0.10 7.12 -1.42 0.50 115.31 121.42 2g2k h LEU 89 Ca 0.13 0.01 -0.04 0.00 0.13 0.00 0.00 57.88 58.11 2g2k h LEU 89 Cb 0.23 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.32 2g2k h LEU 89 CO -0.01 0.05 0.21 -0.78 -0.13 0.00 0.00 178.44 177.79 2g2k h ASP 90 N 0.12 0.84 -0.23 1.25 3.58 0.18 -1.86 116.42 120.30 2g2k h ASP 90 Ca 0.35 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 2g2k h ASP 90 Cb 1.21 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 42.03 2g2k h ASP 90 CO -0.04 0.80 0.08 1.23 -2.88 0.00 0.00 179.24 178.43 2g2k h GLY 91 N 0.83 0.45 0.64 -0.78 0.00 0.41 -1.55 103.07 103.07 2g2k h GLY 91 Ca 0.19 -0.22 0.08 0.00 0.00 0.00 0.00 47.33 47.39 2g2k h GLY 91 CO -0.01 0.21 0.63 -2.75 0.00 0.00 0.00 176.54 174.62 2g2k h PHE 92 N 0.42 1.16 -0.71 5.60 3.04 -0.62 0.47 116.94 126.30 2g2k h PHE 92 Ca 0.10 0.03 0.14 0.00 3.98 0.00 0.00 57.97 62.22 2g2k h PHE 92 Cb 0.15 -0.38 -0.04 0.00 2.56 0.00 0.00 35.95 38.24 2g2k h PHE 92 CO 0.00 0.55 0.48 0.82 -2.02 0.00 0.00 178.31 178.14 2g2k h ILE 93 N 1.09 0.81 -0.34 1.41 2.04 -1.15 0.14 117.51 121.52 2g2k h ILE 93 Ca 0.45 -0.13 0.10 0.00 1.00 0.00 0.00 64.86 66.28 2g2k h ILE 93 Cb 0.28 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2g2k h ILE 93 CO -0.21 0.07 0.31 0.50 0.00 0.00 0.00 178.15 178.83 2g2k h LYS 94 N 0.39 0.00 -0.30 2.37 3.64 -0.95 -0.32 116.57 121.39 2g2k h LYS 94 Ca 0.34 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 2g2k h LYS 94 Cb 0.80 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 2g2k h LYS 94 CO -0.10 0.00 0.13 0.87 -2.27 0.00 0.00 179.45 178.08 2g2k h LYS 95 N 0.00 0.41 0.00 1.90 1.57 -0.80 -3.28 116.57 116.37 2g2k h LYS 95 Ca 0.16 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 2g2k h LYS 95 Cb 0.79 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 2g2k h LYS 95 CO -0.00 0.34 -1.33 1.97 -0.57 0.00 0.00 179.45 179.85 2g2k n PHE 96 N -4.43 0.00 0.21 -1.35 1.16 -0.58 -4.56 117.46 107.92 2g2k n PHE 96 Ca 0.01 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.70 2g2k n PHE 96 Cb 0.12 -0.23 0.55 0.00 -1.61 0.00 0.00 39.48 38.31 2g2k n PHE 96 CO 0.00 0.00 0.00 -0.39 -1.87 0.00 0.00 176.76 174.50 2g2k h VAL 97 N 0.00 0.00 -0.03 1.97 -1.51 -1.22 -3.41 116.25 112.06 2g2k h VAL 97 Ca -0.13 0.00 -0.37 0.00 -1.23 0.00 0.00 66.70 64.97 2g2k h VAL 97 Cb 1.26 0.45 -0.11 0.00 -2.13 0.00 0.00 31.29 30.76 2g2k h VAL 97 CO -0.00 0.00 1.91 0.18 -1.23 0.00 0.00 177.57 178.42 2g2k n LEU 98 N -2.33 -1.02 -4.88 4.19 4.32 -1.24 -4.84 117.00 111.20 2g2k n LEU 98 Ca -0.01 -0.47 -0.30 0.00 -0.02 0.00 0.00 56.01 55.21 2g2k n LEU 98 Cb 0.26 -0.65 -0.03 0.00 -1.62 0.00 0.00 43.42 41.38 2g2k n LEU 98 CO 0.09 -1.37 0.37 0.00 -1.22 0.00 0.00 177.39 175.26 2g2k n PRO 100 N -1.18 0.89 0.04 0.00 -0.04 -1.26 -3.76 135.00 129.69 2g2k n PRO 100 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2g2k n PRO 100 Cb 0.54 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 2g2k n PRO 100 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2g2k n GLU 101 N 1.19 0.00 0.00 0.54 4.71 -1.26 -5.05 120.64 120.78 2g2k n GLU 101 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2g2k n GLU 101 Cb 0.45 -0.24 0.00 0.00 -1.01 0.00 0.00 31.44 30.64 2g2k n GLU 101 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2g2k h GLU 103 N 0.00 0.00 -0.64 0.00 4.57 -1.89 -3.32 114.58 113.29 2g2k h GLU 103 Ca 0.00 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.28 2g2k h GLU 103 Cb 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.49 2g2k h GLU 103 CO 0.00 0.44 -0.26 -1.71 -1.18 0.00 0.00 179.01 176.30 2g2k n ASN 104 N -3.30 -0.43 -4.76 1.04 2.85 -1.26 -4.24 115.26 105.16 2g2k n ASN 104 Ca 0.01 1.13 -0.35 0.00 -0.11 0.00 0.00 54.58 55.26 2g2k n ASN 104 Cb 0.66 -0.25 0.03 0.00 1.24 0.00 0.00 39.78 41.45 2g2k n ASN 104 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2g2k s PRO 105 N -5.60 3.05 -0.23 1.20 0.04 -1.25 -4.91 135.00 127.29 2g2k s PRO 105 Ca -0.09 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.36 2g2k s PRO 105 Cb 0.13 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 2g2k s PRO 105 CO 0.46 -1.12 1.71 -2.00 0.04 0.00 0.00 177.00 176.10 2g2k s GLU 106 N -3.43 3.66 0.37 4.56 -6.30 -1.26 -4.98 118.70 111.32 2g2k s GLU 106 Ca 0.74 1.67 0.08 0.00 -2.50 0.00 0.00 54.97 54.97 2g2k s GLU 106 Cb -0.27 -4.10 -0.06 0.00 0.00 0.00 0.00 34.13 29.70 2g2k s GLU 106 CO 0.32 -1.46 0.07 0.95 0.02 0.00 0.00 175.26 175.16 2g2k s THR 107 N 5.76 2.50 -0.06 -1.70 -4.23 -1.26 -4.69 115.64 111.96 2g2k s THR 107 Ca 0.76 -1.87 0.03 0.00 -1.18 0.00 0.00 61.69 59.43 2g2k s THR 107 Cb -0.26 -2.89 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 2g2k s THR 107 CO 0.31 -0.12 -0.12 -1.81 -0.54 0.00 0.00 174.62 172.34 2g2k s ASP 108 N -3.78 4.18 -0.14 3.99 1.01 -1.19 -4.99 116.67 115.75 2g2k s ASP 108 Ca 0.37 -0.16 -0.05 0.00 0.71 0.00 0.00 52.55 53.43 2g2k s ASP 108 Cb 0.02 -0.95 -0.04 0.00 1.01 0.00 0.00 42.92 42.96 2g2k s ASP 108 CO 0.20 0.34 0.02 -0.22 0.21 0.00 0.00 175.17 175.73 2g2k s LEU 109 N -0.71 3.65 -0.18 1.23 0.20 -1.26 -2.56 118.68 119.04 2g2k s LEU 109 Ca 0.11 0.09 0.01 0.00 0.69 0.00 0.00 54.13 55.02 2g2k s LEU 109 Cb -0.11 -1.88 0.03 0.00 -0.43 0.00 0.00 46.19 43.81 2g2k s LEU 109 CO 0.01 0.26 -0.12 -1.00 -0.29 0.00 0.00 176.35 175.21 2g2k s HIS 110 N -0.19 2.34 -0.24 5.38 3.76 0.99 -4.96 115.29 122.37 2g2k s HIS 110 Ca 0.06 -1.46 -0.14 0.00 -0.15 0.00 0.00 55.06 53.37 2g2k s HIS 110 Cb -0.12 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.89 2g2k s HIS 110 CO 0.02 -0.72 0.31 0.14 -0.85 0.00 0.00 174.74 173.64 2g2k s VAL 111 N 1.43 5.25 -0.17 -0.90 -7.23 -1.26 -2.68 120.40 114.83 2g2k s VAL 111 Ca 0.01 0.48 -0.23 0.00 -1.81 0.00 0.00 61.98 60.43 2g2k s VAL 111 Cb -0.15 -3.64 -0.02 0.00 0.56 0.00 0.00 36.38 33.13 2g2k s VAL 111 CO -0.09 0.25 0.74 0.20 -0.31 0.00 0.00 175.10 175.89 2g2k s ASN 112 N 1.28 6.86 0.15 4.85 0.02 -0.11 -4.94 114.94 123.04 2g2k s ASN 112 Ca 0.14 1.05 -0.06 0.00 -1.02 0.00 0.00 52.86 52.96 2g2k s ASN 112 Cb -0.15 -2.41 -0.03 0.00 0.02 0.00 0.00 41.25 38.69 2g2k s ASN 112 CO 0.08 -0.33 1.39 1.55 0.02 0.00 0.00 177.10 179.81 2g2k h PRO 113 N 7.33 0.58 -0.76 -0.60 0.13 -1.96 0.21 132.00 136.94 2g2k h PRO 113 Ca -0.31 -0.47 -0.01 0.00 -0.87 0.00 0.00 66.00 64.35 2g2k h PRO 113 Cb 1.14 0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 2g2k h PRO 113 CO 0.81 1.09 0.44 -0.22 -0.23 0.00 0.00 178.00 179.89 2g2k h LYS 114 N 0.40 1.04 -0.02 0.86 3.64 -1.97 -2.47 116.57 118.06 2g2k h LYS 114 Ca -0.04 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2g2k h LYS 114 Cb 1.33 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2g2k h LYS 114 CO 0.14 0.75 -0.31 1.63 -2.27 0.00 0.00 179.45 179.39 2g2k n LYS 115 N -4.48 1.30 -3.69 1.90 4.76 -1.22 -4.95 118.16 111.79 2g2k n LYS 115 Ca 0.07 -0.99 -0.28 0.00 -2.87 0.00 0.00 58.31 54.25 2g2k n LYS 115 Cb 0.07 -1.48 0.02 0.00 -1.84 0.00 0.00 35.03 31.79 2g2k n LYS 115 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2g2k n GLN 116 N 0.01 -4.77 -4.35 1.97 7.27 0.67 -4.96 117.38 113.23 2g2k n GLN 116 Ca 0.12 0.59 -0.21 0.00 0.07 0.00 0.00 57.00 57.56 2g2k n GLN 116 Cb 0.44 -5.42 -0.11 0.00 2.41 0.00 0.00 30.24 27.56 2g2k n GLN 116 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2g2k s THR 117 N -3.18 1.88 -0.07 1.69 2.01 -0.89 -4.98 115.64 112.10 2g2k s THR 117 Ca 0.56 -2.03 0.05 0.00 0.31 0.00 0.00 61.69 60.58 2g2k s THR 117 Cb -0.29 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.27 2g2k s THR 117 CO 0.69 -0.38 -0.24 -0.51 -0.69 0.00 0.00 174.62 173.50 2g2k s ILE 118 N -2.29 2.18 0.04 1.82 2.07 -1.26 -0.93 121.20 122.82 2g2k s ILE 118 Ca 0.19 -1.02 -0.03 0.00 -1.41 0.00 0.00 60.65 58.38 2g2k s ILE 118 Cb -0.05 -1.80 -0.02 0.00 0.13 0.00 0.00 42.46 40.72 2g2k s ILE 118 CO 0.07 0.57 0.02 -0.83 -1.91 0.00 0.00 174.94 172.87 2g2k s GLY 119 N -0.11 0.30 -0.07 1.50 0.00 -1.09 -2.83 107.32 105.02 2g2k s GLY 119 Ca -0.05 -0.82 -0.03 0.00 0.00 0.00 0.00 44.72 43.82 2g2k s GLY 119 CO 0.04 -0.94 0.14 0.21 0.00 0.00 0.00 173.10 172.55 2g2k s ASN 120 N -2.33 0.65 -0.04 1.64 2.47 -0.99 -0.01 114.94 116.33 2g2k s ASN 120 Ca -0.02 0.28 0.06 0.00 0.42 0.00 0.00 52.86 53.59 2g2k s ASN 120 Cb 0.01 0.19 -0.02 0.00 -1.45 0.00 0.00 41.25 39.97 2g2k s ASN 120 CO -0.06 -0.23 -0.20 -0.44 -3.72 0.00 0.00 177.10 172.45 2g2k s SER 121 N 2.06 3.50 -0.14 -4.21 0.01 -1.06 0.22 113.70 114.07 2g2k s SER 121 Ca 0.01 -0.36 -0.05 0.00 1.31 0.00 0.00 55.95 56.87 2g2k s SER 121 Cb -0.12 -0.67 -0.04 0.00 0.21 0.00 0.00 66.02 65.41 2g2k s SER 121 CO -0.05 0.31 0.03 0.00 0.41 0.00 0.00 173.24 173.94 2g2k n LYS 123 N 2.98 0.09 -0.09 0.00 3.00 -1.26 -1.36 118.16 121.53 2g2k n LYS 123 Ca -0.18 0.58 -0.06 0.00 -0.00 0.00 0.00 58.31 58.65 2g2k n LYS 123 Cb 0.53 -1.80 0.00 0.00 0.00 0.00 0.00 35.03 33.76 2g2k n LYS 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2g2k h ALA 124 N 2.01 0.06 0.00 3.14 0.00 -1.92 -3.39 119.26 119.16 2g2k h ALA 124 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2g2k h ALA 124 Cb 0.01 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2g2k h ALA 124 CO 0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 179.25 178.62 2g2k n GLY 126 N 0.50 0.77 0.20 0.00 0.00 -0.46 -4.93 105.19 101.27 2g2k n GLY 126 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 2g2k n GLY 126 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2g2k n TYR 127 N -1.88 0.39 -1.16 1.61 0.18 -1.26 -4.75 117.16 110.29 2g2k n TYR 127 Ca 0.00 0.39 0.00 0.00 1.88 0.00 0.00 57.90 60.17 2g2k n TYR 127 Cb 0.00 -0.79 0.00 0.00 -0.38 0.00 0.00 39.34 38.17 2g2k n TYR 127 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2g2k n ARG 128 N -3.73 -3.26 -3.52 -3.48 5.12 -1.26 -4.88 116.66 101.65 2g2k n ARG 128 Ca 0.19 2.37 -0.29 0.00 -1.93 0.00 0.00 57.85 58.19 2g2k n ARG 128 Cb 0.70 -2.63 -0.08 0.00 -1.16 0.00 0.00 32.46 29.29 2g2k n ARG 128 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2g2k n GLY 129 N -0.15 4.62 3.66 -0.13 0.00 0.58 -4.93 105.19 108.85 2g2k n GLY 129 Ca 0.00 -2.72 -0.42 0.00 0.00 0.00 0.00 46.02 42.88 2g2k n GLY 129 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2g2k s MET 130 N -2.21 4.28 0.04 1.61 1.75 -1.26 -2.35 119.30 121.17 2g2k s MET 130 Ca 0.35 1.11 -0.13 0.00 -1.25 0.00 0.00 55.69 55.77 2g2k s MET 130 Cb 0.08 -3.60 -0.06 0.00 2.84 0.00 0.00 34.83 34.10 2g2k s MET 130 CO -0.05 -0.43 0.42 -0.51 -0.65 0.00 0.00 175.02 173.81 2g2k s LEU 131 N 2.49 4.42 -0.01 4.11 1.43 -1.13 -4.98 118.68 125.02 2g2k s LEU 131 Ca 0.40 0.93 -0.00 0.00 -1.03 0.00 0.00 54.13 54.43 2g2k s LEU 131 Cb -0.16 -2.79 -0.00 0.00 0.03 0.00 0.00 46.19 43.26 2g2k s LEU 131 CO 0.11 0.25 -0.01 -0.90 0.23 0.00 0.00 176.35 176.03 2g2k n ASP 132 N 1.42 3.41 -4.51 2.29 5.68 -1.26 -4.61 116.55 118.97 2g2k n ASP 132 Ca -0.11 -0.00 -0.47 0.00 -0.50 0.00 0.00 54.79 53.71 2g2k n ASP 132 Cb 0.52 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.46 2g2k n ASP 132 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2g2k n THR 133 N -2.59 1.81 -1.13 2.12 -2.24 -1.26 -4.86 114.28 106.12 2g2k n THR 133 Ca -0.01 -0.45 0.02 0.00 -2.27 0.00 0.00 64.05 61.33 2g2k n THR 133 Cb 0.51 -0.54 0.25 0.00 -2.10 0.00 0.00 70.33 68.45 2g2k n THR 133 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2g2k n HIS 134 N 0.32 1.29 -1.26 4.78 8.25 -1.26 -4.42 115.22 122.91 2g2k n HIS 134 Ca 0.14 -1.15 0.03 0.00 -0.26 0.00 0.00 57.72 56.48 2g2k n HIS 134 Cb 0.28 -0.44 0.05 0.00 1.12 0.00 0.00 29.99 30.99 2g2k n HIS 134 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2g2k n HIS 135 N -0.63 0.00 -4.60 4.41 -0.00 -1.26 -4.73 115.22 108.41 2g2k n HIS 135 Ca 0.29 -0.40 -0.28 0.00 -0.00 0.00 0.00 57.72 57.33 2g2k n HIS 135 Cb 1.04 -0.08 -0.05 0.00 -0.00 0.00 0.00 29.99 30.90 2g2k n HIS 135 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2g2k n LYS 136 N -0.54 0.94 0.07 1.57 4.76 -1.26 -4.96 118.16 118.73 2g2k n LYS 136 Ca 0.05 -3.16 0.19 0.00 -2.87 0.00 0.00 58.31 52.52 2g2k n LYS 136 Cb 0.59 0.82 0.57 0.00 -1.84 0.00 0.00 35.03 35.17 2g2k n LYS 136 CO 0.00 0.00 0.00 1.37 -1.37 0.00 0.00 177.40 177.40 2g2k h LEU 137 N 0.00 0.00 -0.77 -0.35 8.10 -1.98 0.21 115.31 120.52 2g2k h LEU 137 Ca -0.36 0.00 0.01 0.00 0.11 0.00 0.00 57.88 57.64 2g2k h LEU 137 Cb 1.09 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 41.28 2g2k h LEU 137 CO 0.59 0.00 0.50 0.00 -4.11 0.00 0.00 178.44 175.43 2g2k h THR 139 N 1.05 1.27 -0.29 0.00 2.02 -0.81 -0.62 112.91 115.52 2g2k h THR 139 Ca 0.28 -1.46 0.04 0.00 0.77 0.00 0.00 66.41 66.04 2g2k h THR 139 Cb -0.11 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 2g2k h THR 139 CO -0.06 0.50 0.07 -0.26 0.37 0.00 0.00 175.52 176.14 2g2k h PHE 140 N 0.83 0.12 -0.35 3.16 0.04 -1.47 -0.69 116.94 118.58 2g2k h PHE 140 Ca 0.09 0.02 -0.11 0.00 2.80 0.00 0.00 57.97 60.77 2g2k h PHE 140 Cb 0.88 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.01 2g2k h PHE 140 CO 0.06 0.04 -0.21 -0.84 -0.60 0.00 0.00 178.31 176.75 2g2k h ILE 141 N 0.18 1.29 -0.89 -0.55 3.07 -1.39 -0.63 117.51 118.59 2g2k h ILE 141 Ca 0.13 -1.35 0.14 0.00 1.55 0.00 0.00 64.86 65.33 2g2k h ILE 141 Cb 0.13 1.41 -0.07 0.00 -0.27 0.00 0.00 36.82 38.01 2g2k h ILE 141 CO -0.16 0.44 0.57 0.25 -1.05 0.00 0.00 178.15 178.20 2g2k h LEU 142 N 0.54 0.66 0.00 0.16 7.12 -0.59 0.34 115.31 123.55 2g2k h LEU 142 Ca 0.07 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.12 2g2k h LEU 142 Cb 0.77 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.80 2g2k h LEU 142 CO 0.06 0.34 -0.66 0.29 -0.13 0.00 0.00 178.44 178.34 2g2k n LYS 143 N -4.56 0.08 -1.40 1.25 4.76 -0.31 -5.06 118.16 112.92 2g2k n LYS 143 Ca 0.17 0.01 0.19 0.00 -2.87 0.00 0.00 58.31 55.81 2g2k n LYS 143 Cb 0.46 -1.54 -0.06 0.00 -1.84 0.00 0.00 35.03 32.05 2g2k n LYS 143 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2g2k n ASN 144 N -1.65 -8.36 -4.79 4.39 5.03 0.11 -4.81 115.26 105.18 2g2k n ASN 144 Ca 0.04 0.78 -0.32 0.00 0.87 0.00 0.00 54.58 55.95 2g2k n ASN 144 Cb 0.36 -4.38 0.05 0.00 -1.02 0.00 0.00 39.78 34.79 2g2k n ASN 144 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2g2k s PRO 145 N -2.70 2.84 -1.05 3.52 0.04 -1.26 -4.89 135.00 131.50 2g2k s PRO 145 Ca 0.00 1.19 -0.23 0.00 0.04 0.00 0.00 61.00 62.00 2g2k s PRO 145 Cb 0.00 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 2g2k s PRO 145 CO 0.00 -1.20 1.83 -1.25 0.04 0.00 0.00 177.00 176.42 2g2k s PRO 146 N -4.49 2.90 0.00 0.56 0.04 -1.26 -4.26 135.00 128.49 2g2k s PRO 146 Ca 0.63 -0.89 0.00 0.00 0.04 0.00 0.00 61.00 60.77 2g2k s PRO 146 Cb -0.17 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.14 2g2k s PRO 146 CO 0.47 -3.20 0.50 -1.91 0.04 0.00 0.00 177.00 172.90 2g2k n GLU 147 N 8.65 0.00 0.00 4.56 2.13 -1.26 -5.14 120.64 129.57 2g2k n GLU 147 Ca 0.41 -0.45 0.00 0.00 0.66 0.00 0.00 57.16 57.78 2g2k n GLU 147 Cb 0.47 0.42 0.00 0.00 0.27 0.00 0.00 31.44 32.61 2g2k n GLU 147 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2g2k n ASN 148 N 0.00 -0.37 0.00 4.31 3.02 -1.26 -4.98 115.26 115.98 2g2k n ASN 148 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 2g2k n ASN 148 Cb 0.46 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 2g2k n ASN 148 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2g2k n SER 149 N -3.85 0.00 -2.53 6.41 3.41 -1.26 -4.99 113.62 110.81 2g2k n SER 149 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 2g2k n SER 149 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 2g2k n SER 149 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2g2k n ASP 150 N 0.30 -4.36 -4.96 4.04 -0.08 -1.26 -5.01 116.55 105.21 2g2k n ASP 150 Ca 0.00 1.43 -0.20 0.00 -1.51 0.00 0.00 54.79 54.51 2g2k n ASP 150 Cb 0.00 -4.29 0.01 0.00 2.34 0.00 0.00 41.12 39.17 2g2k n ASP 150 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2g2k s SER 151 N -0.47 5.23 0.90 1.67 0.01 -1.26 -4.99 113.70 114.79 2g2k s SER 151 Ca -0.12 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.43 2g2k s SER 151 Cb 0.01 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2g2k s SER 151 CO 0.33 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.69 2g2k n GLY 152 N -1.84 0.07 2.89 3.44 0.00 -1.26 -4.97 105.19 103.51 2g2k n GLY 152 Ca 0.07 -0.93 -0.01 0.00 0.00 0.00 0.00 46.02 45.15 2g2k n GLY 152 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2g2k n THR 153 N -0.67 -8.01 -3.54 2.61 -1.04 -1.26 -4.99 114.28 97.38 2g2k n THR 153 Ca 0.00 1.40 0.00 0.00 -2.04 0.00 0.00 64.05 63.41 2g2k n THR 153 Cb 0.00 -5.24 0.00 0.00 -1.82 0.00 0.00 70.33 63.27 2g2k n THR 153 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2g2k n GLY 154 N 1.22 -0.78 0.00 3.41 0.00 -1.26 -5.09 105.19 102.68 2g2k n GLY 154 Ca -0.06 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2g2k n GLY 154 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2g2k n LYS 155 N 0.00 0.00 0.00 1.61 4.76 -1.26 -5.24 118.16 118.03 2g2k n LYS 155 Ca 0.00 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.50 2g2k n LYS 155 Cb 0.00 -0.25 0.35 0.00 -1.84 0.00 0.00 35.03 33.29 2g2k n LYS 155 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20