#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jra s MET 2 N 0.00 3.22 0.23 3.17 1.00 -1.26 -5.09 119.30 120.58 2jra s MET 2 Ca 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 55.69 55.00 2jra s MET 2 Cb 0.00 -2.84 -0.01 0.00 0.00 0.00 0.00 34.83 31.98 2jra s MET 2 CO 0.00 -0.21 0.26 -2.37 0.00 0.00 0.00 175.02 172.71 2jra n THR 3 N 4.73 0.00 -1.53 2.05 5.66 -1.26 -5.06 114.28 118.87 2jra n THR 3 Ca -0.19 -1.45 -0.30 0.00 -3.05 0.00 0.00 64.05 59.05 2jra n THR 3 Cb 0.50 0.80 -0.10 0.00 -1.55 0.00 0.00 70.33 69.99 2jra n THR 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jra n ALA 4 N -1.42 0.61 -2.60 1.79 0.00 -1.26 -4.90 120.51 112.73 2jra n ALA 4 Ca -0.09 -0.87 -0.00 0.00 0.00 0.00 0.00 53.44 52.47 2jra n ALA 4 Cb 0.41 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 16.97 2jra n ALA 4 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jra n SER 5 N 13.88 0.03 -4.58 0.00 3.41 -1.26 -4.96 113.62 120.15 2jra n SER 5 Ca 0.50 -1.02 -0.29 0.00 -0.26 0.00 0.00 58.87 57.80 2jra n SER 5 Cb 0.34 -0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.23 2jra n SER 5 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2jra s ASP 6 N -1.06 5.20 -0.46 4.04 1.11 -1.26 -4.79 116.67 119.45 2jra s ASP 6 Ca 0.01 -1.63 0.02 0.00 0.18 0.00 0.00 52.55 51.13 2jra s ASP 6 Cb -0.00 -2.59 0.13 0.00 1.07 0.00 0.00 42.92 41.54 2jra s ASP 6 CO 0.01 -2.88 0.24 -0.13 1.18 0.00 0.00 175.17 173.59 2jra s ARG 7 N 6.32 1.42 0.23 8.23 0.52 -1.26 -5.10 118.95 129.31 2jra s ARG 7 Ca 0.67 -2.12 -0.20 0.00 -0.52 0.00 0.00 55.73 53.56 2jra s ARG 7 Cb -0.01 -2.52 0.03 0.00 0.52 0.00 0.00 34.95 32.97 2jra s ARG 7 CO 0.11 -1.15 0.62 -1.17 0.02 0.00 0.00 175.30 173.73 2jra s LEU 8 N 0.23 -0.20 -0.93 2.53 2.96 -1.26 -5.06 118.68 116.95 2jra s LEU 8 Ca 0.18 -0.47 -0.25 0.00 -0.22 0.00 0.00 54.13 53.37 2jra s LEU 8 Cb -0.24 2.48 -0.19 0.00 0.50 0.00 0.00 46.19 48.74 2jra s LEU 8 CO 0.00 -1.17 1.94 0.61 -1.32 0.00 0.00 176.35 176.41 2jra n GLY 9 N -0.41 0.73 5.17 7.98 0.00 -1.26 -4.67 105.19 112.73 2jra n GLY 9 Ca -0.08 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2jra n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jra n ALA 10 N 14.31 0.00 -3.02 4.61 0.00 -1.26 -4.55 120.51 130.60 2jra n ALA 10 Ca 0.45 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.77 2jra n ALA 10 Cb 0.45 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.78 2jra n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jra s ASP 11 N -4.00 -0.12 0.37 0.00 1.01 -1.26 -5.01 116.67 107.66 2jra s ASP 11 Ca 0.00 0.22 0.20 0.00 0.71 0.00 0.00 52.55 53.68 2jra s ASP 11 Cb 0.00 0.27 0.45 0.00 1.01 0.00 0.00 42.92 44.65 2jra s ASP 11 CO 0.00 -0.08 1.62 1.55 0.21 0.00 0.00 175.17 178.47 2jra h PRO 12 N 5.75 0.00 -2.04 8.23 0.13 -1.98 -3.48 132.00 138.61 2jra h PRO 12 Ca -0.26 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 65.25 2jra h PRO 12 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 2jra h PRO 12 CO 0.42 0.30 0.95 -0.08 -0.23 0.00 0.00 178.00 179.36 2jra s THR 13 N -3.26 0.00 -0.63 1.56 -1.32 -1.26 -5.09 115.64 105.63 2jra s THR 13 Ca 0.03 -0.11 -0.27 0.00 -1.21 0.00 0.00 61.69 60.13 2jra s THR 13 Cb 0.08 -2.93 0.01 0.00 -1.51 0.00 0.00 72.50 68.15 2jra s THR 13 CO 0.69 0.00 1.46 -1.58 -2.21 0.00 0.00 174.62 172.98 2jra s GLN 14 N -2.02 3.12 0.30 7.08 0.74 -1.26 -4.87 119.66 122.75 2jra s GLN 14 Ca 0.30 0.24 0.05 0.00 0.05 0.00 0.00 55.36 56.01 2jra s GLN 14 Cb -0.00 -4.20 0.70 0.00 1.10 0.00 0.00 33.01 30.61 2jra s GLN 14 CO -0.02 -2.19 1.80 0.00 -0.55 0.00 0.00 175.29 174.34 2jra h ALA 15 N 11.55 1.65 -0.65 1.58 0.00 -2.01 -3.29 119.26 128.10 2jra h ALA 15 Ca -0.27 0.06 -0.41 0.00 0.00 0.00 0.00 54.91 54.29 2jra h ALA 15 Cb 1.09 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 2jra h ALA 15 CO 1.22 0.02 1.23 0.00 0.00 0.00 0.00 179.25 181.72 2jra s ALA 16 N -5.86 2.11 -1.03 0.00 0.00 -1.26 -4.69 121.76 111.03 2jra s ALA 16 Ca -0.11 -2.15 0.28 0.00 0.00 0.00 0.00 51.96 49.98 2jra s ALA 16 Cb 0.24 -4.63 1.22 0.00 0.00 0.00 0.00 23.12 19.95 2jra s ALA 16 CO 0.80 -4.66 1.91 -1.13 0.00 0.00 0.00 175.76 172.69 2jra n SER 17 N 12.77 0.00 -4.57 0.00 3.41 -1.24 -4.69 113.62 119.30 2jra n SER 17 Ca 0.43 0.46 -0.43 0.00 -0.26 0.00 0.00 58.87 59.08 2jra n SER 17 Cb 0.47 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.90 2jra n SER 17 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2jra s SER 18 N -2.97 6.47 0.36 4.04 0.15 -1.26 -5.03 113.70 115.46 2jra s SER 18 Ca 0.15 0.09 0.03 0.00 0.70 0.00 0.00 55.95 56.91 2jra s SER 18 Cb 0.19 -2.51 -0.02 0.00 -1.71 0.00 0.00 66.02 61.97 2jra s SER 18 CO 0.51 -1.30 0.54 -2.16 1.20 0.00 0.00 173.24 172.04 2jra s PRO 19 N 4.40 3.24 0.04 5.44 0.04 -1.26 -5.02 135.00 141.88 2jra s PRO 19 Ca 0.40 -0.62 -0.21 0.00 0.04 0.00 0.00 61.00 60.61 2jra s PRO 19 Cb -0.09 -2.70 -0.14 0.00 0.04 0.00 0.00 34.50 31.61 2jra s PRO 19 CO 0.26 0.03 1.39 0.78 0.04 0.00 0.00 177.00 179.49 2jra h GLY 20 N 0.73 0.29 -6.41 0.56 0.00 -2.00 -3.47 103.07 92.77 2jra h GLY 20 Ca -0.48 -0.26 -0.49 0.00 0.00 0.00 0.00 47.33 46.11 2jra h GLY 20 CO 0.58 0.23 -0.81 0.61 0.00 0.00 0.00 176.54 177.15 2jra n GLY 21 N 0.00 -0.40 3.60 4.60 0.00 -1.26 -4.95 105.19 106.78 2jra n GLY 21 Ca -0.06 0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2jra n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jra s ALA 22 N -3.49 3.36 0.05 4.61 0.00 -1.26 -5.10 121.76 119.94 2jra s ALA 22 Ca 0.45 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.63 2jra s ALA 22 Cb -0.23 -1.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.91 2jra s ALA 22 CO 0.86 0.06 -0.12 -0.98 0.00 0.00 0.00 175.76 175.58 2jra s ARG 23 N 0.60 0.76 -0.36 0.00 1.70 -1.26 -5.12 118.95 115.27 2jra s ARG 23 Ca 0.03 -0.80 -0.13 0.00 -0.47 0.00 0.00 55.73 54.36 2jra s ARG 23 Cb -0.13 -0.71 -0.01 0.00 -0.57 0.00 0.00 34.95 33.53 2jra s ARG 23 CO 0.01 0.16 0.25 0.00 -1.08 0.00 0.00 175.30 174.65 2jra s ALA 24 N -1.10 3.48 -0.13 7.88 0.00 -1.26 -5.07 121.76 125.56 2jra s ALA 24 Ca -0.03 -1.48 -0.03 0.00 0.00 0.00 0.00 51.96 50.42 2jra s ALA 24 Cb -0.09 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 2jra s ALA 24 CO 0.01 -1.11 -0.02 0.14 0.00 0.00 0.00 175.76 174.78 2jra s VAL 25 N 1.70 4.08 0.22 0.00 -7.23 -1.26 -5.11 120.40 112.80 2jra s VAL 25 Ca 0.06 -0.31 -0.06 0.00 -1.81 0.00 0.00 61.98 59.86 2jra s VAL 25 Cb -0.18 -2.76 -0.06 0.00 0.56 0.00 0.00 36.38 33.94 2jra s VAL 25 CO 0.10 0.53 0.48 -0.94 -0.31 0.00 0.00 175.10 174.96 2jra s SER 26 N -0.06 6.50 -0.13 4.85 1.04 -1.26 -5.09 113.70 119.55 2jra s SER 26 Ca 0.03 0.71 0.03 0.00 0.48 0.00 0.00 55.95 57.19 2jra s SER 26 Cb -0.13 -2.14 0.01 0.00 0.10 0.00 0.00 66.02 63.86 2jra s SER 26 CO 0.02 -0.07 -0.22 -0.63 0.98 0.00 0.00 173.24 173.32 2jra s ILE 27 N -1.86 2.05 -0.40 -1.02 -1.09 -1.26 -4.68 121.20 112.93 2jra s ILE 27 Ca 0.44 -0.98 -0.07 0.00 -2.23 0.00 0.00 60.65 57.80 2jra s ILE 27 Cb -0.11 -1.80 0.08 0.00 -1.58 0.00 0.00 42.46 39.05 2jra s ILE 27 CO 0.26 0.55 0.22 0.68 -1.23 0.00 0.00 174.94 175.42 2jra s VAL 28 N 0.70 3.89 0.00 2.92 -7.23 -0.91 -4.78 120.40 114.99 2jra s VAL 28 Ca -0.10 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 2jra s VAL 28 Cb -0.16 -3.42 0.00 0.00 0.56 0.00 0.00 36.38 33.36 2jra s VAL 28 CO 0.01 -0.50 0.00 0.61 -0.31 0.00 0.00 175.10 174.91 2jra n GLY 29 N 4.81 2.08 0.24 2.32 0.00 -1.26 -1.78 105.19 111.61 2jra n GLY 29 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2jra n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jra n ASN 30 N 3.99 0.00 -4.14 1.61 6.94 -1.26 -5.14 115.26 117.25 2jra n ASN 30 Ca 0.00 -0.49 -0.31 0.00 -0.02 0.00 0.00 54.58 53.76 2jra n ASN 30 Cb 0.00 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.25 2jra n ASN 30 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 2jra s GLN 31 N 0.00 2.74 0.22 -3.83 0.74 -0.73 -5.10 119.66 113.69 2jra s GLN 31 Ca 0.00 -0.76 0.11 0.00 0.05 0.00 0.00 55.36 54.76 2jra s GLN 31 Cb 0.00 -2.22 -0.05 0.00 1.10 0.00 0.00 33.01 31.85 2jra s GLN 31 CO 0.00 0.01 -0.18 -1.50 -0.55 0.00 0.00 175.29 173.06 2jra s ILE 32 N 0.78 2.64 0.10 -2.34 2.07 -1.26 -2.13 121.20 121.05 2jra s ILE 32 Ca -0.09 -2.05 -0.14 0.00 -1.41 0.00 0.00 60.65 56.96 2jra s ILE 32 Cb -0.16 -2.32 -0.06 0.00 0.13 0.00 0.00 42.46 40.05 2jra s ILE 32 CO 0.00 -0.21 0.50 -0.62 -1.91 0.00 0.00 174.94 172.70 2jra s ASP 33 N -3.00 6.82 0.54 4.50 -1.08 -1.26 -4.97 116.67 118.22 2jra s ASP 33 Ca 0.25 1.03 0.25 0.00 -0.52 0.00 0.00 52.55 53.56 2jra s ASP 33 Cb -0.07 -2.27 1.52 0.00 -1.46 0.00 0.00 42.92 40.64 2jra s ASP 33 CO 0.13 0.18 2.15 0.77 0.52 0.00 0.00 175.17 178.91 2jra h SER 34 N 3.91 0.00 0.03 -0.34 4.64 -2.01 -2.14 113.55 117.65 2jra h SER 34 Ca -0.49 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.71 2jra h SER 34 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2jra h SER 34 CO 0.65 0.07 -0.38 0.03 -0.87 0.00 0.00 176.83 176.33 2jra h ARG 35 N 0.00 0.46 -0.76 4.77 2.47 -1.93 -1.48 114.38 117.91 2jra h ARG 35 Ca -0.00 -0.22 -0.01 0.00 -1.26 0.00 0.00 59.98 58.49 2jra h ARG 35 Cb 0.16 -0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.44 2jra h ARG 35 CO 0.01 0.77 0.42 0.93 0.56 0.00 0.00 179.97 182.66 2jra h GLU 36 N 0.38 1.05 -0.04 0.04 4.39 -1.79 0.31 114.58 118.92 2jra h GLU 36 Ca 0.04 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 2jra h GLU 36 Cb 0.84 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2jra h GLU 36 CO 0.07 0.77 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.50 2jra h LEU 37 N 1.05 0.17 -3.76 1.33 3.38 -1.60 -3.31 115.31 112.57 2jra h LEU 37 Ca 0.27 -0.61 -0.44 0.00 0.09 0.00 0.00 57.88 57.19 2jra h LEU 37 Cb 0.02 -0.05 -0.26 0.00 0.09 0.00 0.00 40.66 40.46 2jra h LEU 37 CO -0.04 0.75 0.56 0.49 0.09 0.00 0.00 178.44 180.29 2jra n PHE 38 N -4.65 2.71 0.11 1.13 3.72 -0.57 -4.41 117.46 115.49 2jra n PHE 38 Ca -0.08 -1.66 -0.01 0.00 -0.05 0.00 0.00 57.45 55.65 2jra n PHE 38 Cb 0.38 -0.86 0.25 0.00 -0.94 0.00 0.00 39.48 38.31 2jra n PHE 38 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jra h THR 39 N 1.01 1.30 0.00 4.37 1.03 -0.47 -3.40 112.91 116.75 2jra h THR 39 Ca 0.54 -1.45 0.00 0.00 -0.01 0.00 0.00 66.41 65.49 2jra h THR 39 Cb 2.64 1.66 0.00 0.00 -1.07 0.00 0.00 68.15 71.38 2jra h THR 39 CO 0.96 0.43 -0.17 0.52 -0.01 0.00 0.00 175.52 177.25 2jra n VAL 40 N -4.05 0.55 -1.11 0.00 0.31 -1.26 -5.07 118.33 107.70 2jra n VAL 40 Ca -0.01 0.25 -0.10 0.00 -0.01 0.00 0.00 64.34 64.46 2jra n VAL 40 Cb 0.46 -1.50 0.07 0.00 -0.91 0.00 0.00 33.84 31.96 2jra n VAL 40 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2jra n ASP 41 N -3.07 -0.42 0.00 4.52 9.92 -1.26 -5.02 116.55 121.22 2jra n ASP 41 Ca -0.02 -1.02 0.00 0.00 -0.53 0.00 0.00 54.79 53.21 2jra n ASP 41 Cb 0.09 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.23 2jra n ASP 41 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2jra n ARG 42 N -2.17 0.14 -3.80 -1.24 0.63 -1.26 -4.57 116.66 104.38 2jra n ARG 42 Ca 0.05 -0.51 -0.13 0.00 -0.92 0.00 0.00 57.85 56.35 2jra n ARG 42 Cb 0.20 -0.77 -0.13 0.00 0.45 0.00 0.00 32.46 32.21 2jra n ARG 42 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2jra s GLU 43 N -0.17 0.15 -0.03 -0.14 2.12 -1.26 -1.76 118.70 117.61 2jra s GLU 43 Ca 0.00 0.25 0.07 0.00 0.36 0.00 0.00 54.97 55.65 2jra s GLU 43 Cb 0.00 0.02 -0.02 0.00 0.26 0.00 0.00 34.13 34.39 2jra s GLU 43 CO 0.00 -0.06 -0.23 0.42 -0.54 0.00 0.00 175.26 174.85 2jra s ILE 44 N 0.36 1.86 -0.06 -3.70 -1.09 0.84 -5.00 121.20 114.42 2jra s ILE 44 Ca -0.02 -1.00 -0.03 0.00 -2.23 0.00 0.00 60.65 57.37 2jra s ILE 44 Cb -0.04 -1.56 -0.04 0.00 -1.58 0.00 0.00 42.46 39.25 2jra s ILE 44 CO -0.01 0.53 0.12 -0.69 -1.23 0.00 0.00 174.94 173.65 2jra s VAL 45 N -0.43 5.11 -0.18 2.92 1.01 -1.26 0.47 120.40 128.04 2jra s VAL 45 Ca 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 2jra s VAL 45 Cb -0.10 -3.29 0.05 0.00 0.00 0.00 0.00 36.38 33.04 2jra s VAL 45 CO 0.00 0.47 -0.01 -0.63 0.00 0.00 0.00 175.10 174.93 2jra s ILE 46 N -1.13 0.87 0.04 2.22 1.01 0.89 -4.92 121.20 120.18 2jra s ILE 46 Ca 0.20 -0.61 -0.22 0.00 0.00 0.00 0.00 60.65 60.02 2jra s ILE 46 Cb -0.12 -1.18 -0.06 0.00 0.01 0.00 0.00 42.46 41.11 2jra s ILE 46 CO 0.10 -0.02 0.66 0.00 0.00 0.00 0.00 174.94 175.68 2jra s ALA 47 N 1.72 3.46 -0.40 9.38 0.00 -1.26 -0.61 121.76 134.05 2jra s ALA 47 Ca -0.00 0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.13 2jra s ALA 47 Cb -0.16 -2.83 0.16 0.00 0.00 0.00 0.00 23.12 20.30 2jra s ALA 47 CO -0.07 0.18 0.41 -1.58 0.00 0.00 0.00 175.76 174.69 2jra s HIS 48 N -0.37 -0.06 0.00 0.00 5.04 -1.12 -4.99 115.29 113.78 2jra s HIS 48 Ca 0.33 -1.23 0.00 0.00 -1.54 0.00 0.00 55.06 52.62 2jra s HIS 48 Cb -0.20 -0.47 0.00 0.00 0.04 0.00 0.00 32.58 31.96 2jra s HIS 48 CO 0.20 -0.97 0.00 0.41 -2.34 0.00 0.00 174.74 172.04 2jra n GLY 49 N 3.68 1.78 0.09 1.59 0.00 -1.26 -3.31 105.19 107.76 2jra n GLY 49 Ca 0.17 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2jra n GLY 49 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jra n ASP 50 N 8.50 0.80 -4.82 1.61 2.03 -1.26 -4.94 116.55 118.47 2jra n ASP 50 Ca 0.00 0.35 -0.33 0.00 0.52 0.00 0.00 54.79 55.33 2jra n ASP 50 Cb 0.00 0.26 -0.07 0.00 -0.72 0.00 0.00 41.12 40.59 2jra n ASP 50 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jra s ASP 51 N -5.71 6.92 -0.23 1.67 -1.08 -1.21 -5.06 116.67 111.98 2jra s ASP 51 Ca -0.03 1.60 0.00 0.00 -0.52 0.00 0.00 52.55 53.60 2jra s ASP 51 Cb 0.09 -2.50 0.03 0.00 -1.46 0.00 0.00 42.92 39.07 2jra s ASP 51 CO 0.81 -0.31 -0.12 -0.13 0.52 0.00 0.00 175.17 175.95 2jra s ARG 52 N -3.07 2.78 0.14 4.34 1.81 -1.26 -2.81 118.95 120.89 2jra s ARG 52 Ca 0.59 -0.99 0.02 0.00 -1.72 0.00 0.00 55.73 53.64 2jra s ARG 52 Cb -0.10 -2.82 -0.04 0.00 -0.45 0.00 0.00 34.95 31.54 2jra s ARG 52 CO 0.15 -0.36 0.27 0.71 -0.68 0.00 0.00 175.30 175.39 2jra s TYR 53 N 1.27 3.47 -0.21 -0.53 1.51 0.22 -4.67 117.35 118.42 2jra s TYR 53 Ca 0.00 0.12 -0.01 0.00 -1.01 0.00 0.00 57.07 56.16 2jra s TYR 53 Cb -0.16 -1.67 0.06 0.00 -0.11 0.00 0.00 41.96 40.08 2jra s TYR 53 CO -0.07 0.52 0.00 1.03 -1.11 0.00 0.00 175.55 175.92 2jra s ARG 54 N -3.19 1.02 -0.40 -0.62 0.52 0.11 -0.08 118.95 116.31 2jra s ARG 54 Ca 0.34 -0.63 -0.22 0.00 -0.52 0.00 0.00 55.73 54.70 2jra s ARG 54 Cb -0.11 -2.29 0.02 0.00 0.52 0.00 0.00 34.95 33.09 2jra s ARG 54 CO 0.28 -0.62 0.71 -1.17 0.02 0.00 0.00 175.30 174.52 2jra s LEU 55 N 1.68 4.28 0.04 2.53 2.96 0.18 -1.00 118.68 129.36 2jra s LEU 55 Ca -0.03 0.00 0.08 0.00 -0.22 0.00 0.00 54.13 53.96 2jra s LEU 55 Cb -0.18 -2.87 -0.03 0.00 0.50 0.00 0.00 46.19 43.62 2jra s LEU 55 CO -0.07 -0.76 -0.21 -0.60 -1.32 0.00 0.00 176.35 173.39 2jra s ARG 56 N 2.98 1.44 -0.14 1.98 3.52 -0.23 -0.11 118.95 128.40 2jra s ARG 56 Ca 0.27 -0.97 -0.05 0.00 -0.13 0.00 0.00 55.73 54.85 2jra s ARG 56 Cb -0.13 -1.57 -0.04 0.00 -1.56 0.00 0.00 34.95 31.65 2jra s ARG 56 CO 0.18 0.40 0.03 -1.17 -0.81 0.00 0.00 175.30 173.94 2jra s LEU 57 N -1.20 3.70 0.00 -0.88 2.96 -0.72 -0.71 118.68 121.84 2jra s LEU 57 Ca 0.08 0.11 -0.10 0.00 -0.22 0.00 0.00 54.13 54.00 2jra s LEU 57 Cb -0.09 -1.89 0.17 0.00 0.50 0.00 0.00 46.19 44.88 2jra s LEU 57 CO 0.02 0.27 1.07 0.35 -1.32 0.00 0.00 176.35 176.74 2jra n THR 58 N 2.88 0.00 -1.83 3.68 -2.24 0.34 -4.89 114.28 112.23 2jra n THR 58 Ca -0.18 -0.99 -0.28 0.00 -2.27 0.00 0.00 64.05 60.34 2jra n THR 58 Cb 0.53 -1.40 -0.07 0.00 -2.10 0.00 0.00 70.33 67.28 2jra n THR 58 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2jra n SER 59 N -3.51 2.63 0.00 3.42 2.88 -1.26 -4.22 113.62 113.56 2jra n SER 59 Ca 0.14 -2.65 0.00 0.00 -1.33 0.00 0.00 58.87 55.03 2jra n SER 59 Cb 0.50 -1.64 0.00 0.00 -0.75 0.00 0.00 64.21 62.33 2jra n SER 59 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2jra n GLN 60 N 8.11 0.00 0.01 -1.46 -0.06 -1.26 -4.78 117.38 117.94 2jra n GLN 60 Ca 0.45 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 55.44 2jra n GLN 60 Cb 0.46 -0.92 -0.01 0.00 -4.06 0.00 0.00 30.24 25.71 2jra n GLN 60 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 2jra h ASN 61 N 0.00 -0.09 -0.60 1.69 -0.26 -1.99 -3.48 115.58 110.85 2jra h ASN 61 Ca 0.00 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 2jra h ASN 61 Cb 0.00 0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.29 2jra h ASN 61 CO 0.00 -0.04 0.00 2.29 -1.06 0.00 0.00 177.43 178.62 2jra n LYS 62 N -2.52 0.00 -4.20 0.81 2.85 -1.26 -5.03 118.16 108.81 2jra n LYS 62 Ca -0.01 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 2jra n LYS 62 Cb 0.03 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.31 2jra n LYS 62 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 2jra s LEU 63 N 0.00 2.32 0.23 -5.58 2.34 -1.26 -0.50 118.68 116.22 2jra s LEU 63 Ca 0.00 -1.08 -0.08 0.00 0.06 0.00 0.00 54.13 53.03 2jra s LEU 63 Cb 0.00 -0.05 -0.02 0.00 -0.56 0.00 0.00 46.19 45.56 2jra s LEU 63 CO 0.00 -0.52 0.34 0.27 -1.06 0.00 0.00 176.35 175.38 2jra s ILE 64 N -3.66 0.00 -0.21 1.48 -5.25 0.12 -4.98 121.20 108.71 2jra s ILE 64 Ca 0.17 -1.63 0.01 0.00 -0.99 0.00 0.00 60.65 58.21 2jra s ILE 64 Cb 0.06 -2.30 0.05 0.00 2.95 0.00 0.00 42.46 43.21 2jra s ILE 64 CO -0.01 -0.01 -0.09 -0.22 -1.79 0.00 0.00 174.94 172.81 2jra s LEU 65 N -3.07 2.39 0.21 0.37 1.98 -1.26 -1.07 118.68 118.23 2jra s LEU 65 Ca 0.29 -0.97 0.06 0.00 -2.89 0.00 0.00 54.13 50.62 2jra s LEU 65 Cb 0.02 -1.24 -0.05 0.00 0.66 0.00 0.00 46.19 45.59 2jra s LEU 65 CO 0.10 -0.17 -0.09 0.28 -1.89 0.00 0.00 176.35 174.58 2jra s THR 66 N 1.38 1.46 0.00 3.68 -1.32 -0.17 -4.95 115.64 115.72 2jra s THR 66 Ca -0.03 -2.13 0.00 0.00 -1.21 0.00 0.00 61.69 58.33 2jra s THR 66 Cb -0.17 -2.12 0.00 0.00 -1.51 0.00 0.00 72.50 68.70 2jra s THR 66 CO -0.08 -0.53 0.00 2.29 -2.21 0.00 0.00 174.62 174.09