#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fr2 n ASP 2 N 0.00 0.00 0.00 0.00 8.00 -1.26 -4.74 116.55 118.55 3fr2 n ASP 2 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3fr2 n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3fr2 n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fr2 n ALA 3 N 0.00 1.02 0.94 2.24 0.00 -1.26 0.15 120.51 123.60 3fr2 n ALA 3 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3fr2 n ALA 3 Cb 0.00 -0.97 0.10 0.00 0.00 0.00 0.00 19.45 18.58 3fr2 n ALA 3 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fr2 n PHE 4 N -1.43 0.04 -2.05 0.00 3.72 -1.26 -4.95 117.46 111.53 3fr2 n PHE 4 Ca 0.00 0.01 -0.41 0.00 -0.05 0.00 0.00 57.45 57.00 3fr2 n PHE 4 Cb 0.01 -0.20 -0.02 0.00 -0.94 0.00 0.00 39.48 38.33 3fr2 n PHE 4 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3fr2 s VAL 5 N -3.03 2.67 -4.14 -4.37 1.01 0.39 -4.66 120.40 108.28 3fr2 s VAL 5 Ca 0.09 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.68 3fr2 s VAL 5 Cb 0.17 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3fr2 s VAL 5 CO 0.77 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.60 3fr2 n GLY 6 N 1.54 0.87 3.34 4.51 0.00 -0.58 -4.98 105.19 109.89 3fr2 n GLY 6 Ca 0.04 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 3fr2 n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fr2 s THR 7 N -1.61 2.90 -0.05 2.61 2.01 -1.26 -1.74 115.64 118.50 3fr2 s THR 7 Ca 0.00 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.34 3fr2 s THR 7 Cb 0.00 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.29 3fr2 s THR 7 CO 0.00 0.52 -0.19 0.26 -0.69 0.00 0.00 174.62 174.52 3fr2 s TRP 8 N 0.48 1.87 -0.12 4.92 0.52 0.18 -2.31 118.94 124.49 3fr2 s TRP 8 Ca -0.10 -0.54 0.01 0.00 0.02 0.00 0.00 56.10 55.50 3fr2 s TRP 8 Cb -0.16 -1.25 -0.01 0.00 -1.15 0.00 0.00 33.47 30.90 3fr2 s TRP 8 CO 0.05 -0.17 -0.16 0.21 0.02 0.00 0.00 176.95 176.89 3fr2 s LYS 9 N -0.02 3.22 0.07 4.98 2.20 0.42 0.12 119.74 130.73 3fr2 s LYS 9 Ca -0.03 -0.74 -0.31 0.00 -0.36 0.00 0.00 55.97 54.54 3fr2 s LYS 9 Cb -0.12 -2.53 -0.09 0.00 -1.51 0.00 0.00 37.83 33.59 3fr2 s LYS 9 CO 0.02 0.24 1.71 -1.17 -0.36 0.00 0.00 175.35 175.80 3fr2 s LEU 10 N 0.25 4.37 -0.07 5.43 2.96 -1.04 -0.72 118.68 129.88 3fr2 s LEU 10 Ca -0.11 2.54 0.05 0.00 -0.22 0.00 0.00 54.13 56.39 3fr2 s LEU 10 Cb -0.16 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.89 3fr2 s LEU 10 CO 0.06 -0.93 0.01 1.33 -1.32 0.00 0.00 176.35 175.50 3fr2 n VAL 11 N 4.86 0.46 -3.81 1.68 0.24 0.18 -4.87 118.33 117.07 3fr2 n VAL 11 Ca 0.17 -0.27 -0.09 0.00 -2.04 0.00 0.00 64.34 62.10 3fr2 n VAL 11 Cb 0.40 -0.82 -0.07 0.00 -1.47 0.00 0.00 33.84 31.88 3fr2 n VAL 11 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3fr2 s SER 12 N -3.94 0.03 -0.23 -1.34 1.04 -1.05 -5.00 113.70 103.21 3fr2 s SER 12 Ca -0.04 -0.53 -0.10 0.00 0.48 0.00 0.00 55.95 55.76 3fr2 s SER 12 Cb 0.02 0.36 0.09 0.00 0.10 0.00 0.00 66.02 66.59 3fr2 s SER 12 CO 0.26 -0.72 0.53 -0.55 0.98 0.00 0.00 173.24 173.74 3fr2 s SER 13 N -2.71 -0.68 -0.05 7.02 0.15 -1.26 -1.37 113.70 114.80 3fr2 s SER 13 Ca 0.03 1.22 0.06 0.00 0.70 0.00 0.00 55.95 57.96 3fr2 s SER 13 Cb 0.03 1.43 -0.01 0.00 -1.71 0.00 0.00 66.02 65.76 3fr2 s SER 13 CO -0.10 -0.22 -0.24 -1.61 1.20 0.00 0.00 173.24 172.27 3fr2 s GLU 14 N 2.16 2.48 -0.97 5.44 8.01 -0.78 -4.81 118.70 130.22 3fr2 s GLU 14 Ca -0.07 -0.89 0.00 0.00 0.01 0.00 0.00 54.97 54.03 3fr2 s GLU 14 Cb -0.09 -2.17 0.00 0.00 -4.31 0.00 0.00 34.13 27.56 3fr2 s GLU 14 CO -0.16 0.44 0.00 0.09 0.01 0.00 0.00 175.26 175.64 3fr2 n ASN 15 N 2.80 -5.18 -0.12 -0.19 3.02 -1.26 -2.52 115.26 111.81 3fr2 n ASN 15 Ca -0.17 0.23 -0.10 0.00 -0.03 0.00 0.00 54.58 54.51 3fr2 n ASN 15 Cb 0.52 -3.48 -0.02 0.00 -0.61 0.00 0.00 39.78 36.19 3fr2 n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3fr2 h PHE 16 N 0.00 0.60 -0.48 3.10 3.57 -1.91 -0.75 116.94 121.07 3fr2 h PHE 16 Ca -0.19 -0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.33 3fr2 h PHE 16 Cb 0.95 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 39.45 3fr2 h PHE 16 CO 0.48 0.61 0.05 0.22 -2.23 0.00 0.00 178.31 177.44 3fr2 h ASP 17 N 0.43 -0.10 -0.71 0.41 3.58 -1.95 0.34 116.42 118.41 3fr2 h ASP 17 Ca 0.11 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 3fr2 h ASP 17 Cb 0.31 0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 3fr2 h ASP 17 CO 0.00 -0.02 0.39 0.44 -2.88 0.00 0.00 179.24 177.17 3fr2 h ASP 18 N 0.17 0.91 0.54 2.28 3.32 -1.89 0.14 116.42 121.89 3fr2 h ASP 18 Ca 0.24 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 3fr2 h ASP 18 Cb 0.34 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.67 3fr2 h ASP 18 CO -0.36 0.74 -0.26 0.22 -1.72 0.00 0.00 179.24 177.86 3fr2 h TYR 19 N 1.02 -0.67 -0.61 4.55 3.20 0.48 -1.12 116.97 123.81 3fr2 h TYR 19 Ca 0.26 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.18 3fr2 h TYR 19 Cb 0.04 0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.48 3fr2 h TYR 19 CO 0.01 -0.41 0.29 0.52 -1.64 0.00 0.00 178.16 176.93 3fr2 h MET 20 N -0.74 0.52 0.29 1.82 2.86 -0.09 -1.33 114.93 118.25 3fr2 h MET 20 Ca -0.07 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3fr2 h MET 20 Cb 0.56 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 3fr2 h MET 20 CO 0.12 0.35 -0.34 -0.22 1.06 0.00 0.00 176.91 177.88 3fr2 h LYS 21 N 0.54 -0.65 -0.91 1.72 3.64 -0.52 -0.37 116.57 120.02 3fr2 h LYS 21 Ca 0.29 0.04 0.19 0.00 -1.27 0.00 0.00 60.65 59.90 3fr2 h LYS 21 Cb 0.25 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.15 3fr2 h LYS 21 CO -0.22 -0.44 0.59 1.49 -2.27 0.00 0.00 179.45 178.61 3fr2 h GLU 22 N -0.68 0.47 -0.08 1.90 4.57 -0.87 -0.67 114.58 119.21 3fr2 h GLU 22 Ca -0.01 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.00 3fr2 h GLU 22 Cb 0.63 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 3fr2 h GLU 22 CO -0.09 0.31 -0.59 0.28 -1.18 0.00 0.00 179.01 177.74 3fr2 h VAL 23 N 0.48 1.38 0.00 0.32 2.07 -0.48 -3.47 116.25 116.55 3fr2 h VAL 23 Ca 0.48 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 66.06 3fr2 h VAL 23 Cb 1.08 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 3fr2 h VAL 23 CO -0.20 0.57 0.00 0.61 0.02 0.00 0.00 177.57 178.57 3fr2 n GLY 24 N 0.23 1.05 3.72 2.17 0.00 -0.26 -5.10 105.19 107.00 3fr2 n GLY 24 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3fr2 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fr2 s VAL 25 N -1.63 2.85 0.73 1.61 1.01 -0.49 -5.00 120.40 119.49 3fr2 s VAL 25 Ca 0.00 0.63 -0.13 0.00 0.00 0.00 0.00 61.98 62.48 3fr2 s VAL 25 Cb 0.00 -3.40 0.04 0.00 0.00 0.00 0.00 36.38 33.01 3fr2 s VAL 25 CO 0.00 0.06 1.11 -0.83 0.00 0.00 0.00 175.10 175.44 3fr2 s GLY 26 N 0.98 1.94 0.27 4.51 0.00 -1.26 -4.53 107.32 109.22 3fr2 s GLY 26 Ca 0.66 0.46 -0.02 0.00 0.00 0.00 0.00 44.72 45.83 3fr2 s GLY 26 CO 0.33 0.82 1.86 -2.75 0.00 0.00 0.00 173.10 173.36 3fr2 h PHE 27 N -0.60 1.15 -0.28 1.90 3.57 -1.98 -0.52 116.94 120.17 3fr2 h PHE 27 Ca -0.45 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 3fr2 h PHE 27 Cb 1.25 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 3fr2 h PHE 27 CO 0.55 0.55 0.16 0.00 -2.23 0.00 0.00 178.31 177.34 3fr2 h ALA 28 N 1.48 0.36 -0.17 2.41 0.00 -2.00 0.49 119.26 121.82 3fr2 h ALA 28 Ca 0.45 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.21 3fr2 h ALA 28 Cb 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3fr2 h ALA 28 CO -0.21 -0.13 -0.28 1.15 0.00 0.00 0.00 179.25 179.79 3fr2 h THR 29 N 0.35 1.26 -0.80 0.00 2.02 -1.75 -2.82 112.91 111.18 3fr2 h THR 29 Ca 0.10 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 66.03 3fr2 h THR 29 Cb 0.03 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 3fr2 h THR 29 CO -0.02 0.39 0.50 0.03 0.37 0.00 0.00 175.52 176.79 3fr2 h ARG 30 N 0.29 1.07 0.39 6.66 3.08 0.05 -0.10 114.38 125.83 3fr2 h ARG 30 Ca 0.04 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3fr2 h ARG 30 Cb 0.66 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3fr2 h ARG 30 CO 0.05 0.73 -0.19 -0.22 -1.07 0.00 0.00 179.97 179.27 3fr2 h LYS 31 N 1.09 -0.51 -0.01 0.04 3.64 -0.71 0.14 116.57 120.26 3fr2 h LYS 31 Ca 0.29 0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.57 3fr2 h LYS 31 Cb -0.08 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3fr2 h LYS 31 CO -0.06 -0.26 -0.61 0.28 -2.27 0.00 0.00 179.45 176.53 3fr2 h VAL 32 N -0.67 1.43 -0.02 2.00 2.07 -1.41 -2.82 116.25 116.84 3fr2 h VAL 32 Ca -0.05 -2.07 -0.23 0.00 0.82 0.00 0.00 66.70 65.17 3fr2 h VAL 32 Cb 0.48 2.11 0.01 0.00 -1.52 0.00 0.00 31.29 32.37 3fr2 h VAL 32 CO 0.09 0.59 -0.93 0.00 0.02 0.00 0.00 177.57 177.34 3fr2 h ALA 33 N 1.38 0.34 -0.36 1.67 0.00 -0.86 -2.92 119.26 118.51 3fr2 h ALA 33 Ca -0.01 -0.69 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 3fr2 h ALA 33 Cb 1.07 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3fr2 h ALA 33 CO 0.08 0.78 0.02 0.78 0.00 0.00 0.00 179.25 180.91 3fr2 h GLY 34 N 1.05 0.59 1.65 0.00 0.00 -0.69 -2.78 103.07 102.88 3fr2 h GLY 34 Ca -0.08 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3fr2 h GLY 34 CO 0.17 0.32 -0.30 -0.33 0.00 0.00 0.00 176.54 176.40 3fr2 h MET 35 N 0.53 0.00 -6.81 4.80 2.86 -1.51 -3.46 114.93 111.34 3fr2 h MET 35 Ca 0.12 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.21 3fr2 h MET 35 Cb 0.31 0.00 0.09 0.00 0.06 0.00 0.00 31.60 32.06 3fr2 h MET 35 CO 0.01 0.00 0.82 0.00 1.06 0.00 0.00 176.91 178.80 3fr2 n ALA 36 N -1.95 2.35 -3.72 6.32 0.00 -1.05 -4.97 120.51 117.49 3fr2 n ALA 36 Ca 0.04 0.37 -0.28 0.00 0.00 0.00 0.00 53.44 53.57 3fr2 n ALA 36 Cb 0.48 -2.43 -0.10 0.00 0.00 0.00 0.00 19.45 17.40 3fr2 n ALA 36 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fr2 n LYS 37 N 1.66 2.13 -2.11 0.00 5.02 -1.26 -5.05 118.16 118.55 3fr2 n LYS 37 Ca 0.07 -4.56 -0.33 0.00 -2.02 0.00 0.00 58.31 51.47 3fr2 n LYS 37 Cb 0.37 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.10 3fr2 n LYS 37 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3fr2 s PRO 38 N -1.85 3.41 -0.00 1.97 0.04 -1.26 -4.69 135.00 132.61 3fr2 s PRO 38 Ca 0.30 1.18 -0.15 0.00 0.04 0.00 0.00 61.00 62.37 3fr2 s PRO 38 Cb 0.03 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 3fr2 s PRO 38 CO -0.11 -0.73 0.42 -0.80 0.04 0.00 0.00 177.00 175.82 3fr2 s ASN 39 N -2.79 6.82 -0.20 6.66 0.01 -0.33 -2.48 114.94 122.62 3fr2 s ASN 39 Ca 0.63 0.97 -0.03 0.00 -0.71 0.00 0.00 52.86 53.72 3fr2 s ASN 39 Cb -0.15 -2.26 -0.01 0.00 0.41 0.00 0.00 41.25 39.24 3fr2 s ASN 39 CO 0.36 0.30 -0.05 -0.32 -1.51 0.00 0.00 177.10 175.87 3fr2 s MET 40 N -0.96 3.41 -0.25 -0.60 1.75 0.31 -1.60 119.30 121.36 3fr2 s MET 40 Ca 0.24 -0.62 -0.01 0.00 -1.25 0.00 0.00 55.69 54.05 3fr2 s MET 40 Cb -0.17 -2.95 0.03 0.00 2.84 0.00 0.00 34.83 34.58 3fr2 s MET 40 CO 0.13 -0.10 -0.07 0.42 -0.65 0.00 0.00 175.02 174.75 3fr2 s ILE 41 N 1.22 2.74 -0.15 10.11 1.01 0.52 0.49 121.20 137.15 3fr2 s ILE 41 Ca 0.03 -1.13 -0.00 0.00 0.00 0.00 0.00 60.65 59.54 3fr2 s ILE 41 Cb -0.14 -2.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 3fr2 s ILE 41 CO -0.02 0.16 -0.13 -0.63 0.00 0.00 0.00 174.94 174.33 3fr2 s ILE 42 N 1.29 2.99 0.09 2.92 1.01 -0.71 -1.32 121.20 127.46 3fr2 s ILE 42 Ca -0.01 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.98 3fr2 s ILE 42 Cb -0.17 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 3fr2 s ILE 42 CO -0.05 0.51 -0.06 -0.94 0.00 0.00 0.00 174.94 174.40 3fr2 s SER 43 N 0.60 1.02 -0.01 3.58 1.04 -0.50 -1.52 113.70 117.91 3fr2 s SER 43 Ca -0.07 -0.96 0.01 0.00 0.48 0.00 0.00 55.95 55.40 3fr2 s SER 43 Cb -0.16 0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.08 3fr2 s SER 43 CO 0.03 -0.46 -0.02 -0.69 0.98 0.00 0.00 173.24 173.08 3fr2 s VAL 44 N -3.46 0.21 -0.38 5.02 1.01 -1.26 -1.02 120.40 120.51 3fr2 s VAL 44 Ca 0.09 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.03 3fr2 s VAL 44 Cb 0.04 -0.22 0.12 0.00 0.00 0.00 0.00 36.38 36.32 3fr2 s VAL 44 CO -0.05 0.09 0.17 0.20 0.00 0.00 0.00 175.10 175.52 3fr2 s ASN 45 N 0.31 3.83 1.62 3.32 0.01 -0.10 -5.02 114.94 118.91 3fr2 s ASN 45 Ca -0.03 -2.22 0.00 0.00 -0.71 0.00 0.00 52.86 49.90 3fr2 s ASN 45 Cb -0.06 -0.98 0.00 0.00 0.41 0.00 0.00 41.25 40.62 3fr2 s ASN 45 CO -0.01 -0.33 0.00 0.61 -1.51 0.00 0.00 177.10 175.86 3fr2 n GLY 46 N 4.08 3.31 0.22 0.66 0.00 -1.26 -2.05 105.19 110.15 3fr2 n GLY 46 Ca 0.05 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3fr2 n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fr2 n ASP 47 N 9.29 1.13 -4.53 1.61 5.68 -1.26 -4.79 116.55 123.68 3fr2 n ASP 47 Ca 0.00 -0.90 -0.42 0.00 -0.50 0.00 0.00 54.79 52.97 3fr2 n ASP 47 Cb 0.00 0.34 -0.08 0.00 -1.14 0.00 0.00 41.12 40.24 3fr2 n ASP 47 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3fr2 s VAL 48 N -2.66 4.98 -0.14 2.12 1.01 -0.87 -4.25 120.40 120.58 3fr2 s VAL 48 Ca 0.18 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 3fr2 s VAL 48 Cb 0.18 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 3fr2 s VAL 48 CO 0.61 -0.36 0.21 -0.63 0.00 0.00 0.00 175.10 174.92 3fr2 s ILE 49 N 2.46 5.37 -0.11 2.22 1.01 -0.27 -0.93 121.20 130.96 3fr2 s ILE 49 Ca 0.18 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.20 3fr2 s ILE 49 Cb -0.15 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 3fr2 s ILE 49 CO 0.15 0.50 -0.11 -0.89 0.00 0.00 0.00 174.94 174.59 3fr2 s THR 50 N -0.21 3.32 -0.10 2.92 2.01 -0.19 -1.57 115.64 121.82 3fr2 s THR 50 Ca 0.14 -0.59 -0.00 0.00 0.31 0.00 0.00 61.69 61.55 3fr2 s THR 50 Cb -0.12 -2.38 0.02 0.00 0.01 0.00 0.00 72.50 70.03 3fr2 s THR 50 CO 0.03 0.55 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.80 3fr2 s ILE 51 N -0.07 0.95 -0.06 1.82 1.01 0.43 -1.40 121.20 123.87 3fr2 s ILE 51 Ca -0.01 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.41 3fr2 s ILE 51 Cb -0.14 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 3fr2 s ILE 51 CO 0.03 0.35 -0.12 -0.54 0.00 0.00 0.00 174.94 174.66 3fr2 s LYS 52 N 1.60 2.61 -0.15 2.79 1.02 -0.44 -1.58 119.74 125.60 3fr2 s LYS 52 Ca 0.02 -0.66 0.01 0.00 0.02 0.00 0.00 55.97 55.37 3fr2 s LYS 52 Cb -0.13 -2.45 0.02 0.00 -0.52 0.00 0.00 37.83 34.75 3fr2 s LYS 52 CO -0.06 0.62 -0.18 -1.12 -0.92 0.00 0.00 175.35 173.68 3fr2 s SER 53 N -0.70 2.86 -0.06 2.83 0.01 -0.15 -0.35 113.70 118.14 3fr2 s SER 53 Ca 0.11 -0.55 0.04 0.00 1.31 0.00 0.00 55.95 56.86 3fr2 s SER 53 Cb -0.11 -1.31 -0.02 0.00 0.21 0.00 0.00 66.02 64.79 3fr2 s SER 53 CO 0.01 0.01 -0.16 -1.61 0.41 0.00 0.00 173.24 171.90 3fr2 s GLU 54 N 1.14 2.58 0.13 12.44 2.02 -0.63 -0.16 118.70 136.22 3fr2 s GLU 54 Ca -0.01 -0.73 -0.25 0.00 0.02 0.00 0.00 54.97 54.01 3fr2 s GLU 54 Cb -0.14 -2.37 0.07 0.00 0.10 0.00 0.00 34.13 31.79 3fr2 s GLU 54 CO -0.07 0.55 0.77 -1.54 0.02 0.00 0.00 175.26 175.00 3fr2 s SER 55 N -0.55 -0.39 0.46 -0.19 1.04 -1.05 -1.19 113.70 111.83 3fr2 s SER 55 Ca 0.08 -0.17 0.20 0.00 0.48 0.00 0.00 55.95 56.54 3fr2 s SER 55 Cb -0.11 0.53 1.14 0.00 0.10 0.00 0.00 66.02 67.68 3fr2 s SER 55 CO 0.01 -0.91 1.99 0.71 0.98 0.00 0.00 173.24 176.02 3fr2 h THR 56 N 2.00 0.89 0.13 2.02 1.35 -1.99 -2.98 112.91 114.34 3fr2 h THR 56 Ca -0.26 -0.73 -0.01 0.00 -0.55 0.00 0.00 66.41 64.86 3fr2 h THR 56 Cb 1.27 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 3fr2 h THR 56 CO 0.31 0.19 -0.06 0.15 -0.25 0.00 0.00 175.52 175.86 3fr2 h PHE 57 N 0.00 -0.16 -1.42 4.73 3.57 -1.96 -3.47 116.94 118.23 3fr2 h PHE 57 Ca -0.00 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.62 3fr2 h PHE 57 Cb 0.41 0.05 -0.24 0.00 2.79 0.00 0.00 35.95 38.96 3fr2 h PHE 57 CO 0.00 -0.08 0.67 0.21 -2.23 0.00 0.00 178.31 176.88 3fr2 s LYS 58 N -6.07 0.44 -0.18 1.11 2.20 -1.12 -5.05 119.74 111.06 3fr2 s LYS 58 Ca -0.14 0.10 -0.07 0.00 -0.36 0.00 0.00 55.97 55.50 3fr2 s LYS 58 Cb 0.05 0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 36.54 3fr2 s LYS 58 CO 0.65 -0.14 0.05 -0.80 -0.36 0.00 0.00 175.35 174.76 3fr2 s ASN 59 N -1.09 5.53 0.17 1.43 -0.87 -1.26 -2.52 114.94 116.32 3fr2 s ASN 59 Ca 0.01 0.05 0.06 0.00 -1.57 0.00 0.00 52.86 51.41 3fr2 s ASN 59 Cb -0.01 -1.95 -0.04 0.00 -0.02 0.00 0.00 41.25 39.23 3fr2 s ASN 59 CO -0.01 0.16 -0.12 0.42 -2.57 0.00 0.00 177.10 174.97 3fr2 s THR 60 N 0.45 1.42 -0.18 1.60 -4.23 0.78 -4.98 115.64 110.50 3fr2 s THR 60 Ca 0.03 -2.07 -0.11 0.00 -1.18 0.00 0.00 61.69 58.35 3fr2 s THR 60 Cb -0.13 -1.88 0.06 0.00 1.34 0.00 0.00 72.50 71.89 3fr2 s THR 60 CO 0.01 -0.64 0.45 -0.70 -0.54 0.00 0.00 174.62 173.19 3fr2 s GLU 61 N -3.55 0.45 0.09 3.99 2.12 -1.26 -0.98 118.70 119.56 3fr2 s GLU 61 Ca 0.18 0.79 0.07 0.00 0.36 0.00 0.00 54.97 56.37 3fr2 s GLU 61 Cb 0.00 0.05 -0.03 0.00 0.26 0.00 0.00 34.13 34.41 3fr2 s GLU 61 CO 0.03 -0.14 -0.18 0.96 -0.54 0.00 0.00 175.26 175.40 3fr2 s ILE 62 N 1.16 1.48 -0.02 -3.70 -4.36 -0.61 -5.00 121.20 110.14 3fr2 s ILE 62 Ca -0.07 -1.44 0.01 0.00 -0.26 0.00 0.00 60.65 58.89 3fr2 s ILE 62 Cb -0.07 -1.36 0.01 0.00 1.25 0.00 0.00 42.46 42.29 3fr2 s ILE 62 CO -0.10 -0.11 -0.03 -0.44 0.24 0.00 0.00 174.94 174.49 3fr2 s SER 63 N -1.81 0.60 0.23 4.36 0.01 -1.26 -0.43 113.70 115.39 3fr2 s SER 63 Ca 0.03 -0.08 -0.22 0.00 1.31 0.00 0.00 55.95 56.99 3fr2 s SER 63 Cb -0.10 -0.22 0.04 0.00 0.21 0.00 0.00 66.02 65.95 3fr2 s SER 63 CO 0.03 -0.03 0.79 0.72 0.41 0.00 0.00 173.24 175.17 3fr2 s PHE 64 N 0.54 -0.19 -0.11 2.43 -0.71 -0.61 -4.96 117.98 114.37 3fr2 s PHE 64 Ca -0.06 -0.21 0.00 0.00 -1.04 0.00 0.00 56.93 55.62 3fr2 s PHE 64 Cb -0.09 0.68 -0.02 0.00 -1.21 0.00 0.00 43.02 42.38 3fr2 s PHE 64 CO -0.01 -1.09 -0.12 0.42 -1.34 0.00 0.00 175.22 173.09 3fr2 s ILE 65 N -3.71 3.19 -0.00 -4.49 1.01 -1.26 -1.11 121.20 114.82 3fr2 s ILE 65 Ca 0.11 -0.63 -0.35 0.00 0.00 0.00 0.00 60.65 59.77 3fr2 s ILE 65 Cb -0.04 -2.32 -0.14 0.00 0.01 0.00 0.00 42.46 39.97 3fr2 s ILE 65 CO 0.05 0.54 1.67 0.18 0.00 0.00 0.00 174.94 177.37 3fr2 n LEU 66 N 3.16 2.87 0.00 2.97 4.77 -1.26 -1.03 117.00 128.48 3fr2 n LEU 66 Ca -0.18 1.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.85 3fr2 n LEU 66 Cb 0.53 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 3fr2 n LEU 66 CO 0.29 -0.35 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 3fr2 n GLY 67 N 3.72 1.07 3.36 -0.72 0.00 -0.09 -5.00 105.19 107.54 3fr2 n GLY 67 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3fr2 n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3fr2 s GLN 68 N -0.42 3.38 0.58 1.61 0.74 -0.20 -4.99 119.66 120.37 3fr2 s GLN 68 Ca 0.00 -0.65 -0.20 0.00 0.05 0.00 0.00 55.36 54.57 3fr2 s GLN 68 Cb 0.00 -3.22 -0.03 0.00 1.10 0.00 0.00 33.01 30.86 3fr2 s GLN 68 CO 0.00 -0.27 1.29 -2.00 -0.55 0.00 0.00 175.29 173.76 3fr2 s GLU 69 N 1.53 2.95 0.04 1.67 2.12 -1.26 -4.66 118.70 121.08 3fr2 s GLU 69 Ca 0.05 2.05 -0.15 0.00 0.36 0.00 0.00 54.97 57.28 3fr2 s GLU 69 Cb -0.15 -2.05 0.02 0.00 0.26 0.00 0.00 34.13 32.21 3fr2 s GLU 69 CO 0.01 -1.29 0.34 -0.59 -0.54 0.00 0.00 175.26 173.19 3fr2 s PHE 70 N -1.42 -0.15 0.19 5.30 -0.71 -0.69 -4.99 117.98 115.51 3fr2 s PHE 70 Ca 0.76 0.05 -0.28 0.00 -1.04 0.00 0.00 56.93 56.42 3fr2 s PHE 70 Cb -0.36 0.13 -0.08 0.00 -1.21 0.00 0.00 43.02 41.50 3fr2 s PHE 70 CO 0.41 -0.52 0.89 -0.51 -1.34 0.00 0.00 175.22 174.15 3fr2 s ASP 71 N -2.03 7.54 -0.01 1.98 1.01 -1.26 -1.27 116.67 122.63 3fr2 s ASP 71 Ca -0.05 1.82 0.04 0.00 0.71 0.00 0.00 52.55 55.07 3fr2 s ASP 71 Cb -0.01 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 3fr2 s ASP 71 CO -0.03 0.14 -0.13 -0.70 0.21 0.00 0.00 175.17 174.66 3fr2 s GLU 72 N -0.97 1.13 -0.24 8.23 2.12 -0.68 -4.92 118.70 123.36 3fr2 s GLU 72 Ca 0.40 -0.47 -0.09 0.00 0.36 0.00 0.00 54.97 55.17 3fr2 s GLU 72 Cb -0.25 -1.08 -0.04 0.00 0.26 0.00 0.00 34.13 33.03 3fr2 s GLU 72 CO 0.30 0.27 0.12 0.08 -0.54 0.00 0.00 175.26 175.49 3fr2 s VAL 73 N -0.25 4.96 0.64 3.70 1.01 -1.26 -2.10 120.40 127.11 3fr2 s VAL 73 Ca 0.04 0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 3fr2 s VAL 73 Cb -0.06 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 33.05 3fr2 s VAL 73 CO -0.00 0.35 0.94 0.42 0.00 0.00 0.00 175.10 176.80 3fr2 s THR 74 N 1.22 2.75 0.55 3.92 -4.23 -0.48 -4.89 115.64 114.48 3fr2 s THR 74 Ca 0.06 -0.27 0.24 0.00 -1.18 0.00 0.00 61.69 60.54 3fr2 s THR 74 Cb -0.14 -3.13 0.35 0.00 1.34 0.00 0.00 72.50 70.91 3fr2 s THR 74 CO 0.05 -0.13 2.08 0.00 -0.54 0.00 0.00 174.62 176.07 3fr2 h ALA 75 N -0.35 2.12 -0.71 3.99 0.00 -1.97 0.48 119.26 122.82 3fr2 h ALA 75 Ca -0.44 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 3fr2 h ALA 75 Cb 1.30 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.99 3fr2 h ALA 75 CO 0.59 -0.35 0.23 -0.40 0.00 0.00 0.00 179.25 179.33 3fr2 n ASP 76 N -4.23 4.90 -1.91 0.00 5.75 -1.26 -4.92 116.55 114.88 3fr2 n ASP 76 Ca 0.03 -3.14 -0.20 0.00 -0.01 0.00 0.00 54.79 51.48 3fr2 n ASP 76 Cb 0.36 -0.74 -0.04 0.00 -1.03 0.00 0.00 41.12 39.68 3fr2 n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3fr2 n ASP 77 N -0.02 -5.51 -4.80 -1.12 8.00 0.17 -4.98 116.55 108.29 3fr2 n ASP 77 Ca 0.38 0.20 -0.38 0.00 0.71 0.00 0.00 54.79 55.71 3fr2 n ASP 77 Cb 1.34 -4.62 -0.06 0.00 -0.02 0.00 0.00 41.12 37.76 3fr2 n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3fr2 s ARG 78 N -4.40 4.34 -0.39 -1.24 0.52 -1.26 -4.78 118.95 111.74 3fr2 s ARG 78 Ca 0.00 0.93 -0.15 0.00 -0.52 0.00 0.00 55.73 55.98 3fr2 s ARG 78 Cb 0.00 -3.08 0.01 0.00 0.52 0.00 0.00 34.95 32.40 3fr2 s ARG 78 CO 0.00 0.51 0.34 0.15 0.02 0.00 0.00 175.30 176.32 3fr2 s LYS 79 N -1.52 3.18 0.15 3.54 1.02 -1.26 -1.38 119.74 123.47 3fr2 s LYS 79 Ca 0.37 -0.79 0.06 0.00 0.02 0.00 0.00 55.97 55.63 3fr2 s LYS 79 Cb -0.19 -3.92 -0.04 0.00 -0.52 0.00 0.00 37.83 33.15 3fr2 s LYS 79 CO 0.22 -0.70 -0.13 0.14 -0.92 0.00 0.00 175.35 173.97 3fr2 s VAL 80 N 1.87 1.38 -0.33 3.17 -7.23 -0.89 -4.78 120.40 113.59 3fr2 s VAL 80 Ca 0.08 -1.97 -0.19 0.00 -1.81 0.00 0.00 61.98 58.10 3fr2 s VAL 80 Cb -0.18 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 34.98 3fr2 s VAL 80 CO 0.11 -0.58 0.54 -0.54 -0.31 0.00 0.00 175.10 174.32 3fr2 s LYS 81 N -3.31 3.75 -0.17 4.82 -0.14 0.17 -1.68 119.74 123.17 3fr2 s LYS 81 Ca 0.15 0.01 -0.07 0.00 -1.36 0.00 0.00 55.97 54.70 3fr2 s LYS 81 Cb -0.01 -3.77 -0.04 0.00 -1.68 0.00 0.00 37.83 32.33 3fr2 s LYS 81 CO 0.03 -0.59 0.08 -1.12 -0.76 0.00 0.00 175.35 172.99 3fr2 s SER 82 N 1.71 5.80 -0.26 2.83 0.01 -0.39 0.01 113.70 123.41 3fr2 s SER 82 Ca 0.21 0.17 -0.01 0.00 1.31 0.00 0.00 55.95 57.62 3fr2 s SER 82 Cb -0.15 -1.95 0.08 0.00 0.21 0.00 0.00 66.02 64.20 3fr2 s SER 82 CO 0.13 0.23 0.06 -0.89 0.41 0.00 0.00 173.24 173.17 3fr2 s THR 83 N 0.06 0.81 -0.20 1.44 2.01 0.19 -1.71 115.64 118.24 3fr2 s THR 83 Ca 0.06 -1.06 -0.08 0.00 0.31 0.00 0.00 61.69 60.93 3fr2 s THR 83 Cb -0.12 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 3fr2 s THR 83 CO 0.00 -0.44 0.08 -0.63 -0.69 0.00 0.00 174.62 172.95 3fr2 s ILE 84 N 1.69 4.90 0.33 1.82 1.01 -1.26 -2.29 121.20 127.40 3fr2 s ILE 84 Ca 0.04 0.01 0.06 0.00 0.00 0.00 0.00 60.65 60.76 3fr2 s ILE 84 Cb -0.17 -3.23 -0.07 0.00 0.01 0.00 0.00 42.46 39.00 3fr2 s ILE 84 CO -0.17 0.43 -0.02 0.42 0.00 0.00 0.00 174.94 175.61 3fr2 s THR 85 N 0.57 1.68 -0.23 2.92 -4.23 -0.39 -0.92 115.64 115.05 3fr2 s THR 85 Ca 0.04 -2.07 -0.05 0.00 -1.18 0.00 0.00 61.69 58.43 3fr2 s THR 85 Cb -0.13 -2.70 -0.02 0.00 1.34 0.00 0.00 72.50 71.00 3fr2 s THR 85 CO 0.01 -0.13 0.00 -0.22 -0.54 0.00 0.00 174.62 173.74 3fr2 s LEU 86 N -3.54 3.13 -0.31 4.79 2.96 -1.26 -0.67 118.68 123.78 3fr2 s LEU 86 Ca 0.33 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 3fr2 s LEU 86 Cb 0.06 -1.82 0.10 0.00 0.50 0.00 0.00 46.19 45.04 3fr2 s LEU 86 CO 0.15 -0.02 0.09 -0.62 -1.32 0.00 0.00 176.35 174.63 3fr2 s ASP 87 N 1.51 4.02 -1.20 3.68 3.68 0.14 -4.80 116.67 123.70 3fr2 s ASP 87 Ca 0.06 -1.62 -0.02 0.00 2.13 0.00 0.00 52.55 53.09 3fr2 s ASP 87 Cb -0.15 -0.87 0.00 0.00 -1.45 0.00 0.00 42.92 40.45 3fr2 s ASP 87 CO -0.00 -0.41 0.29 0.61 0.13 0.00 0.00 175.17 175.79 3fr2 n GLY 88 N 4.84 -0.22 1.97 2.66 0.00 -1.26 -1.54 105.19 111.65 3fr2 n GLY 88 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3fr2 n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fr2 n GLY 89 N -1.21 0.61 3.41 -0.02 0.00 -1.26 -5.02 105.19 101.69 3fr2 n GLY 89 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 3fr2 n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fr2 s VAL 90 N -2.29 3.44 -0.30 1.61 1.01 -0.59 -4.70 120.40 118.59 3fr2 s VAL 90 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 3fr2 s VAL 90 Cb 0.00 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.89 3fr2 s VAL 90 CO 0.00 0.49 1.16 -0.76 0.00 0.00 0.00 175.10 175.99 3fr2 s LEU 91 N 0.58 3.95 -0.29 3.92 1.43 -0.84 0.26 118.68 127.69 3fr2 s LEU 91 Ca -0.05 1.17 -0.04 0.00 -1.03 0.00 0.00 54.13 54.18 3fr2 s LEU 91 Cb -0.15 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.55 3fr2 s LEU 91 CO 0.03 -0.92 0.03 -0.69 0.23 0.00 0.00 176.35 175.03 3fr2 s VAL 92 N 3.84 3.46 -0.23 -1.59 1.01 0.15 -0.54 120.40 126.52 3fr2 s VAL 92 Ca 0.50 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 3fr2 s VAL 92 Cb -0.15 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 3fr2 s VAL 92 CO 0.17 0.04 0.00 -2.28 0.00 0.00 0.00 175.10 173.04 3fr2 s HIS 93 N 1.39 3.01 -0.09 5.22 5.04 0.42 -1.26 115.29 129.03 3fr2 s HIS 93 Ca -0.00 -0.70 0.03 0.00 -1.54 0.00 0.00 55.06 52.84 3fr2 s HIS 93 Cb -0.18 -2.15 -0.01 0.00 0.04 0.00 0.00 32.58 30.27 3fr2 s HIS 93 CO -0.00 -0.45 -0.18 0.08 -2.34 0.00 0.00 174.74 171.85 3fr2 s VAL 94 N 1.49 2.67 -0.11 0.89 1.01 -0.97 -0.80 120.40 124.57 3fr2 s VAL 94 Ca 0.06 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3fr2 s VAL 94 Cb -0.15 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 3fr2 s VAL 94 CO -0.00 0.56 -0.12 -1.10 0.00 0.00 0.00 175.10 174.43 3fr2 s GLN 95 N -0.07 3.19 -0.03 2.72 -0.21 -0.96 0.56 119.66 124.86 3fr2 s GLN 95 Ca -0.04 -0.66 0.03 0.00 0.02 0.00 0.00 55.36 54.71 3fr2 s GLN 95 Cb -0.14 -2.60 0.00 0.00 1.00 0.00 0.00 33.01 31.27 3fr2 s GLN 95 CO 0.04 0.33 -0.12 0.15 -2.12 0.00 0.00 175.29 173.57 3fr2 s LYS 96 N 0.06 1.27 -0.28 2.91 1.02 0.10 -1.89 119.74 122.93 3fr2 s LYS 96 Ca -0.04 -0.40 -0.24 0.00 0.02 0.00 0.00 55.97 55.31 3fr2 s LYS 96 Cb -0.14 -1.14 0.09 0.00 -0.52 0.00 0.00 37.83 36.12 3fr2 s LYS 96 CO 0.04 0.14 0.84 1.67 -0.92 0.00 0.00 175.35 177.12 3fr2 s TRP 97 N 0.20 -0.69 -1.29 3.18 -2.14 -0.83 0.42 118.94 117.79 3fr2 s TRP 97 Ca -0.04 1.64 -0.07 0.00 2.66 0.00 0.00 56.10 60.28 3fr2 s TRP 97 Cb -0.10 0.34 0.05 0.00 -3.10 0.00 0.00 33.47 30.66 3fr2 s TRP 97 CO 0.01 -0.34 0.42 -0.25 -2.66 0.00 0.00 176.95 174.14 3fr2 n ASP 98 N 2.73 -4.16 0.00 -2.66 8.00 -1.26 -0.09 116.55 119.11 3fr2 n ASP 98 Ca -0.14 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.09 3fr2 n ASP 98 Cb 0.56 -3.44 0.00 0.00 -0.02 0.00 0.00 41.12 38.22 3fr2 n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fr2 n GLY 99 N -1.17 0.49 3.93 0.44 0.00 -1.26 -4.99 105.19 102.63 3fr2 n GLY 99 Ca -0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 3fr2 n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fr2 s LYS 100 N -0.53 2.87 -0.15 1.61 1.02 0.88 -5.13 119.74 120.30 3fr2 s LYS 100 Ca 0.00 -1.21 -0.12 0.00 0.02 0.00 0.00 55.97 54.66 3fr2 s LYS 100 Cb 0.00 -2.63 0.04 0.00 -0.52 0.00 0.00 37.83 34.72 3fr2 s LYS 100 CO 0.00 0.00 0.40 0.45 -0.92 0.00 0.00 175.35 175.28 3fr2 s SER 101 N -4.12 -0.43 0.05 2.83 0.15 -1.26 -1.97 113.70 108.94 3fr2 s SER 101 Ca 0.45 0.81 0.07 0.00 0.70 0.00 0.00 55.95 57.99 3fr2 s SER 101 Cb -0.07 0.79 -0.03 0.00 -1.71 0.00 0.00 66.02 65.00 3fr2 s SER 101 CO 0.29 -0.15 -0.21 0.28 1.20 0.00 0.00 173.24 174.65 3fr2 s THR 102 N 0.52 1.67 -0.16 6.45 -1.32 -0.79 -4.66 115.64 117.34 3fr2 s THR 102 Ca -0.03 -1.22 -0.01 0.00 -1.21 0.00 0.00 61.69 59.22 3fr2 s THR 102 Cb -0.04 -1.45 -0.01 0.00 -1.51 0.00 0.00 72.50 69.48 3fr2 s THR 102 CO -0.03 0.19 -0.10 -0.89 -2.21 0.00 0.00 174.62 171.58 3fr2 s THR 103 N -0.82 3.14 -0.27 5.08 2.01 -0.76 -2.26 115.64 121.75 3fr2 s THR 103 Ca 0.07 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.44 3fr2 s THR 103 Cb -0.09 -2.36 0.03 0.00 0.01 0.00 0.00 72.50 70.10 3fr2 s THR 103 CO 0.02 0.50 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.80 3fr2 s ILE 104 N 0.71 3.08 -0.18 1.82 1.01 0.02 -1.02 121.20 126.64 3fr2 s ILE 104 Ca -0.05 -1.11 -0.08 0.00 0.00 0.00 0.00 60.65 59.41 3fr2 s ILE 104 Cb -0.15 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 3fr2 s ILE 104 CO 0.02 0.07 0.10 -0.54 0.00 0.00 0.00 174.94 174.59 3fr2 s LYS 105 N 1.32 3.97 -0.20 2.79 1.02 -0.66 -0.44 119.74 127.55 3fr2 s LYS 105 Ca -0.01 -0.26 -0.03 0.00 0.02 0.00 0.00 55.97 55.69 3fr2 s LYS 105 Cb -0.18 -3.29 -0.01 0.00 -0.52 0.00 0.00 37.83 33.83 3fr2 s LYS 105 CO -0.02 0.37 -0.08 1.03 -0.92 0.00 0.00 175.35 175.73 3fr2 s ARG 106 N 0.13 3.34 0.24 1.68 0.52 0.30 -1.56 118.95 123.60 3fr2 s ARG 106 Ca 0.07 -0.66 0.06 0.00 -0.52 0.00 0.00 55.73 54.69 3fr2 s ARG 106 Cb -0.12 -2.88 -0.05 0.00 0.52 0.00 0.00 34.95 32.42 3fr2 s ARG 106 CO -0.00 -0.11 -0.07 -1.59 0.02 0.00 0.00 175.30 173.55 3fr2 s LYS 107 N 1.21 1.42 -0.21 3.54 -2.85 0.25 -1.98 119.74 121.12 3fr2 s LYS 107 Ca 0.02 -1.69 -0.08 0.00 -1.00 0.00 0.00 55.97 53.22 3fr2 s LYS 107 Cb -0.14 -0.99 -0.04 0.00 -2.06 0.00 0.00 37.83 34.59 3fr2 s LYS 107 CO -0.03 0.05 0.09 1.03 0.10 0.00 0.00 175.35 176.59 3fr2 s ARG 108 N -3.74 3.98 -0.09 1.78 1.81 -1.26 0.90 118.95 122.33 3fr2 s ARG 108 Ca 0.27 -0.33 -0.03 0.00 -1.72 0.00 0.00 55.73 53.91 3fr2 s ARG 108 Cb 0.03 -3.32 0.04 0.00 -0.45 0.00 0.00 34.95 31.25 3fr2 s ARG 108 CO 0.09 0.17 0.08 -2.00 -0.68 0.00 0.00 175.30 172.96 3fr2 s GLU 109 N 0.69 -0.02 3.85 3.54 2.12 -0.37 -4.96 118.70 123.55 3fr2 s GLU 109 Ca 0.05 0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.59 3fr2 s GLU 109 Cb -0.13 -1.00 0.00 0.00 0.26 0.00 0.00 34.13 33.26 3fr2 s GLU 109 CO 0.02 -0.46 0.00 -0.25 -0.54 0.00 0.00 175.26 174.03 3fr2 n ASP 110 N 5.29 0.00 -0.25 -1.70 8.00 -1.26 0.52 116.55 127.16 3fr2 n ASP 110 Ca -0.05 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.55 3fr2 n ASP 110 Cb 0.50 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.76 3fr2 n ASP 110 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3fr2 n ASP 111 N 7.94 2.68 -4.83 -2.24 5.75 -1.26 -5.01 116.55 119.58 3fr2 n ASP 111 Ca 0.00 -3.08 -0.28 0.00 -0.01 0.00 0.00 54.79 51.42 3fr2 n ASP 111 Cb 0.00 -0.46 -0.05 0.00 -1.03 0.00 0.00 41.12 39.58 3fr2 n ASP 111 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3fr2 s LYS 112 N -2.87 3.04 -0.24 0.11 1.02 0.19 -4.40 119.74 116.58 3fr2 s LYS 112 Ca 0.34 -0.73 -0.08 0.00 0.02 0.00 0.00 55.97 55.52 3fr2 s LYS 112 Cb 0.29 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.81 3fr2 s LYS 112 CO 0.04 0.53 0.10 -1.17 -0.92 0.00 0.00 175.35 173.93 3fr2 s LEU 113 N -2.85 3.65 -0.13 3.17 2.96 0.55 -1.23 118.68 124.79 3fr2 s LEU 113 Ca 0.31 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 54.10 3fr2 s LEU 113 Cb -0.11 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 3fr2 s LEU 113 CO 0.24 0.00 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.51 3fr2 s VAL 114 N 1.41 3.59 -0.21 1.68 1.01 0.26 -1.02 120.40 127.12 3fr2 s VAL 114 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3fr2 s VAL 114 Cb -0.15 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.72 3fr2 s VAL 114 CO 0.05 0.52 -0.14 -0.69 0.00 0.00 0.00 175.10 174.84 3fr2 s VAL 115 N 0.17 2.39 -0.28 2.92 1.01 0.17 -0.58 120.40 126.20 3fr2 s VAL 115 Ca -0.04 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 3fr2 s VAL 115 Cb -0.14 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.13 3fr2 s VAL 115 CO 0.04 0.39 0.06 -0.70 0.00 0.00 0.00 175.10 174.88 3fr2 s GLU 116 N 1.30 3.22 -0.20 2.72 2.12 -0.60 0.76 118.70 128.02 3fr2 s GLU 116 Ca 0.02 -0.76 -0.07 0.00 0.36 0.00 0.00 54.97 54.52 3fr2 s GLU 116 Cb -0.15 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 3fr2 s GLU 116 CO -0.09 -0.36 0.06 0.00 -0.54 0.00 0.00 175.26 174.33 3fr2 s VAL 118 N 0.74 1.65 -0.13 0.00 1.01 -0.19 -0.73 120.40 122.75 3fr2 s VAL 118 Ca 0.03 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 3fr2 s VAL 118 Cb -0.13 -1.43 0.06 0.00 0.00 0.00 0.00 36.38 34.87 3fr2 s VAL 118 CO 0.02 0.47 0.16 -0.32 0.00 0.00 0.00 175.10 175.43 3fr2 s MET 119 N 0.31 0.08 6.81 2.72 1.75 0.08 -1.84 119.30 129.22 3fr2 s MET 119 Ca -0.13 0.36 0.00 0.00 -1.25 0.00 0.00 55.69 54.67 3fr2 s MET 119 Cb -0.15 -0.78 0.00 0.00 2.84 0.00 0.00 34.83 36.74 3fr2 s MET 119 CO 0.05 -0.46 0.00 1.63 -0.65 0.00 0.00 175.02 175.59 3fr2 n LYS 120 N 5.32 0.00 -0.10 4.11 5.02 -1.26 -0.72 118.16 130.52 3fr2 n LYS 120 Ca -0.05 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.35 3fr2 n LYS 120 Cb 0.50 0.00 0.32 0.00 -0.02 0.00 0.00 35.03 35.83 3fr2 n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fr2 n GLY 121 N 0.00 0.68 3.74 0.72 0.00 -1.26 -4.89 105.19 104.19 3fr2 n GLY 121 Ca 0.00 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 3fr2 n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fr2 s VAL 122 N -1.72 5.15 -0.11 1.61 1.01 0.10 -5.06 120.40 121.38 3fr2 s VAL 122 Ca 0.34 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.42 3fr2 s VAL 122 Cb 0.19 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 33.29 3fr2 s VAL 122 CO 0.28 0.51 -0.12 -0.89 0.00 0.00 0.00 175.10 174.88 3fr2 s THR 123 N -0.16 1.29 -0.06 3.92 2.01 -1.26 -0.74 115.64 120.64 3fr2 s THR 123 Ca 0.09 -0.50 0.04 0.00 0.31 0.00 0.00 61.69 61.63 3fr2 s THR 123 Cb -0.12 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.16 3fr2 s THR 123 CO 0.01 0.40 -0.17 -0.55 -0.69 0.00 0.00 174.62 173.62 3fr2 s SER 124 N 1.19 3.75 -0.12 3.53 0.15 0.10 -4.80 113.70 117.49 3fr2 s SER 124 Ca -0.03 -0.30 0.03 0.00 0.70 0.00 0.00 55.95 56.34 3fr2 s SER 124 Cb -0.14 -0.88 0.00 0.00 -1.71 0.00 0.00 66.02 63.29 3fr2 s SER 124 CO -0.04 0.30 -0.21 -0.89 1.20 0.00 0.00 173.24 173.60 3fr2 s THR 125 N -0.47 2.25 -0.07 6.45 2.01 -1.05 0.77 115.64 125.52 3fr2 s THR 125 Ca 0.06 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.15 3fr2 s THR 125 Cb -0.12 -1.89 0.01 0.00 0.01 0.00 0.00 72.50 70.51 3fr2 s THR 125 CO 0.01 0.55 -0.17 -0.13 -0.69 0.00 0.00 174.62 174.19 3fr2 s ARG 126 N 0.53 2.17 -0.08 4.92 0.52 0.23 -1.87 118.95 125.37 3fr2 s ARG 126 Ca -0.13 -0.61 -0.00 0.00 -0.52 0.00 0.00 55.73 54.46 3fr2 s ARG 126 Cb -0.17 -1.74 -0.03 0.00 0.52 0.00 0.00 34.95 33.53 3fr2 s ARG 126 CO 0.05 0.13 -0.04 0.08 0.02 0.00 0.00 175.30 175.53 3fr2 s VAL 127 N 0.42 3.98 -0.05 3.52 1.01 -0.47 0.41 120.40 129.22 3fr2 s VAL 127 Ca -0.14 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.49 3fr2 s VAL 127 Cb -0.16 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.58 3fr2 s VAL 127 CO 0.05 0.60 -0.11 -0.31 0.00 0.00 0.00 175.10 175.33 3fr2 s TYR 128 N -0.82 1.30 0.28 5.22 1.51 -0.19 0.50 117.35 125.16 3fr2 s TYR 128 Ca 0.12 -0.44 0.10 0.00 -1.01 0.00 0.00 57.07 55.85 3fr2 s TYR 128 Cb -0.11 -0.96 -0.05 0.00 -0.11 0.00 0.00 41.96 40.73 3fr2 s TYR 128 CO 0.02 -0.23 -0.05 -1.21 -1.11 0.00 0.00 175.55 172.97 3fr2 s GLU 129 N 0.58 2.10 0.57 -0.62 2.02 0.10 -0.33 118.70 123.11 3fr2 s GLU 129 Ca -0.12 -1.57 -0.20 0.00 0.02 0.00 0.00 54.97 53.10 3fr2 s GLU 129 Cb -0.14 -2.02 -0.05 0.00 0.10 0.00 0.00 34.13 32.02 3fr2 s GLU 129 CO 0.03 0.31 1.19 0.54 0.02 0.00 0.00 175.26 177.35 3fr2 n ARG 130 N -0.84 1.32 0.00 1.61 1.74 -1.26 -0.43 116.66 118.80 3fr2 n ARG 130 Ca -0.06 0.49 0.10 0.00 -0.77 0.00 0.00 57.85 57.62 3fr2 n ARG 130 Cb 0.60 -2.39 0.61 0.00 -1.02 0.00 0.00 32.46 30.26 3fr2 n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11