#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 0.16 -0.54 0.03 0.00 -1.26 -5.09 119.30 112.60 2jra s MET 2 Ca 0.00 0.09 -0.26 0.00 0.00 0.00 0.00 55.69 55.52 2jra s MET 2 Cb 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 34.83 33.43 2jra s MET 2 CO 0.00 -0.68 2.10 0.95 0.00 0.00 0.00 175.02 177.39 2jra s THR 3 N 2.27 3.20 -0.60 10.11 -4.23 -1.26 -4.91 115.64 120.22 2jra s THR 3 Ca 0.06 0.12 -0.27 0.00 -1.18 0.00 0.00 61.69 60.42 2jra s THR 3 Cb -0.16 -3.52 0.01 0.00 1.34 0.00 0.00 72.50 70.17 2jra s THR 3 CO -0.13 -0.49 1.52 0.00 -0.54 0.00 0.00 174.62 174.98 2jra s ALA 4 N 10.33 2.63 -0.14 3.99 0.00 -1.26 -4.77 121.76 132.55 2jra s ALA 4 Ca 0.81 -0.76 -0.05 0.00 0.00 0.00 0.00 51.96 51.96 2jra s ALA 4 Cb -0.15 -4.18 -0.07 0.00 0.00 0.00 0.00 23.12 18.72 2jra s ALA 4 CO 0.24 -3.24 -0.17 0.43 0.00 0.00 0.00 175.76 173.01 2jra n SER 5 N 10.41 1.50 -3.13 0.00 7.64 -1.26 -5.04 113.62 123.75 2jra n SER 5 Ca 0.13 0.11 -0.18 0.00 1.01 0.00 0.00 58.87 59.95 2jra n SER 5 Cb 0.50 -0.37 0.14 0.00 -1.01 0.00 0.00 64.21 63.47 2jra n SER 5 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2jra n ASP 6 N -3.45 -0.94 -3.72 6.43 5.75 -1.26 -5.10 116.55 114.26 2jra n ASP 6 Ca -0.27 -1.06 -0.12 0.00 -0.01 0.00 0.00 54.79 53.33 2jra n ASP 6 Cb 0.71 -0.60 -0.06 0.00 -1.03 0.00 0.00 41.12 40.15 2jra n ASP 6 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jra s ARG 7 N -4.58 1.63 -0.39 0.11 1.70 -1.26 -5.12 118.95 111.04 2jra s ARG 7 Ca 0.43 -1.55 0.01 0.00 -0.47 0.00 0.00 55.73 54.15 2jra s ARG 7 Cb -0.03 0.41 0.13 0.00 -0.57 0.00 0.00 34.95 34.90 2jra s ARG 7 CO 0.32 -0.65 0.21 -1.17 -1.08 0.00 0.00 175.30 172.93 2jra s LEU 8 N -3.15 1.91 -0.29 -1.89 2.96 -1.26 -4.95 118.68 112.02 2jra s LEU 8 Ca 0.30 -2.31 0.08 0.00 -0.22 0.00 0.00 54.13 51.98 2jra s LEU 8 Cb 0.01 -0.75 0.28 0.00 0.50 0.00 0.00 46.19 46.24 2jra s LEU 8 CO 0.15 -0.30 1.25 0.61 -1.32 0.00 0.00 176.35 176.73 2jra n GLY 9 N 3.93 0.95 2.24 7.98 0.00 -1.26 -5.00 105.19 114.03 2jra n GLY 9 Ca 0.08 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.90 6.60 -2.34 4.61 0.00 -1.26 -4.95 120.51 122.27 2jra n ALA 10 Ca -0.12 -2.65 -0.42 0.00 0.00 0.00 0.00 53.44 50.24 2jra n ALA 10 Cb 0.77 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 2jra n ALA 10 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2jra s ASP 11 N 1.33 6.94 -0.69 0.00 2.15 -1.26 -4.95 116.67 120.20 2jra s ASP 11 Ca 0.64 1.96 -0.26 0.00 0.43 0.00 0.00 52.55 55.31 2jra s ASP 11 Cb 0.31 -2.56 -0.03 0.00 -0.30 0.00 0.00 42.92 40.34 2jra s ASP 11 CO -0.09 -0.66 1.89 -2.84 -0.17 0.00 0.00 175.17 173.30 2jra s PRO 12 N 2.40 2.60 0.94 4.34 0.02 -1.26 -4.97 135.00 139.05 2jra s PRO 12 Ca 0.60 0.39 -0.11 0.00 0.02 0.00 0.00 61.00 61.89 2jra s PRO 12 Cb -0.28 -4.57 0.15 0.00 0.02 0.00 0.00 34.50 29.83 2jra s PRO 12 CO 0.24 -2.92 1.09 -0.08 -0.33 0.00 0.00 177.00 175.00 2jra s THR 13 N 9.41 2.50 -0.90 0.99 -1.32 -1.26 -4.91 115.64 120.14 2jra s THR 13 Ca 0.68 0.16 -0.25 0.00 -1.21 0.00 0.00 61.69 61.08 2jra s THR 13 Cb -0.11 -2.52 0.04 0.00 -1.51 0.00 0.00 72.50 68.40 2jra s THR 13 CO 0.15 -0.21 1.38 -1.10 -2.21 0.00 0.00 174.62 172.63 2jra s GLN 14 N -4.82 3.43 0.18 7.08 -1.52 -1.26 -4.75 119.66 117.99 2jra s GLN 14 Ca 0.65 -0.77 0.17 0.00 -1.95 0.00 0.00 55.36 53.45 2jra s GLN 14 Cb -0.20 -4.87 -0.02 0.00 -0.22 0.00 0.00 33.01 27.70 2jra s GLN 14 CO 0.58 -2.18 1.14 0.00 -0.25 0.00 0.00 175.29 174.58 2jra h ALA 15 N 9.88 0.66 -0.57 6.09 0.00 -2.03 -3.44 119.26 129.86 2jra h ALA 15 Ca 0.00 -0.58 0.15 0.00 0.00 0.00 0.00 54.91 54.48 2jra h ALA 15 Cb 1.03 0.09 -0.20 0.00 0.00 0.00 0.00 17.79 18.71 2jra h ALA 15 CO 1.37 0.69 -0.14 0.00 0.00 0.00 0.00 179.25 181.16 2jra s ALA 16 N -2.98 -3.29 -1.54 0.00 0.00 -1.26 -5.06 121.76 107.62 2jra s ALA 16 Ca 0.01 1.30 -0.11 0.00 0.00 0.00 0.00 51.96 53.15 2jra s ALA 16 Cb 0.08 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 2jra s ALA 16 CO 0.78 -1.88 2.67 0.43 0.00 0.00 0.00 175.76 177.76 2jra n SER 17 N 5.28 6.86 -2.99 0.00 7.64 -1.26 -4.50 113.62 124.64 2jra n SER 17 Ca 0.05 -2.66 -0.13 0.00 1.01 0.00 0.00 58.87 57.14 2jra n SER 17 Cb 0.56 -1.58 -0.03 0.00 -1.01 0.00 0.00 64.21 62.15 2jra n SER 17 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jra n SER 18 N 4.54 -2.27 0.16 6.43 7.64 -1.26 -2.24 113.62 126.62 2jra n SER 18 Ca 0.68 -2.75 0.13 0.00 1.01 0.00 0.00 58.87 57.95 2jra n SER 18 Cb 0.29 0.88 0.44 0.00 -1.01 0.00 0.00 64.21 64.80 2jra n SER 18 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2jra h PRO 19 N 5.11 0.00 -3.03 1.43 0.13 -1.79 -3.48 132.00 130.38 2jra h PRO 19 Ca 0.12 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.97 2jra h PRO 19 Cb 1.03 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.19 2jra h PRO 19 CO 0.17 0.00 -0.41 0.41 -0.23 0.00 0.00 178.00 177.94 2jra n GLY 20 N 0.65 -0.16 3.90 1.56 0.00 -1.26 -5.02 105.19 104.86 2jra n GLY 20 Ca 0.03 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 2jra n GLY 20 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jra s GLY 21 N -2.72 1.59 -0.16 -0.02 0.00 -1.26 -5.06 107.32 99.69 2jra s GLY 21 Ca 0.17 -0.65 -0.04 0.00 0.00 0.00 0.00 44.72 44.20 2jra s GLY 21 CO 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 173.10 173.13 2jra s ALA 22 N -3.57 3.10 0.04 3.20 0.00 -1.26 -5.09 121.76 118.18 2jra s ALA 22 Ca 0.62 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.76 2jra s ALA 22 Cb -0.11 -1.62 -0.03 0.00 0.00 0.00 0.00 23.12 21.36 2jra s ALA 22 CO 0.49 0.23 -0.02 -0.98 0.00 0.00 0.00 175.76 175.48 2jra s ARG 23 N 0.28 0.54 -0.19 0.00 3.03 -1.26 -5.15 118.95 116.21 2jra s ARG 23 Ca -0.02 -1.05 -0.07 0.00 2.03 0.00 0.00 55.73 56.62 2jra s ARG 23 Cb -0.14 0.19 -0.04 0.00 -1.03 0.00 0.00 34.95 33.94 2jra s ARG 23 CO 0.02 -0.10 0.05 0.00 -1.13 0.00 0.00 175.30 174.14 2jra s ALA 24 N -3.29 3.28 -0.02 7.88 0.00 -1.26 -5.10 121.76 123.26 2jra s ALA 24 Ca 0.01 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.21 2jra s ALA 24 Cb 0.03 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 2jra s ALA 24 CO -0.08 0.06 -0.23 0.14 0.00 0.00 0.00 175.76 175.65 2jra s VAL 25 N 0.59 2.29 0.22 0.00 -7.23 -1.26 -5.11 120.40 109.91 2jra s VAL 25 Ca 0.02 -1.04 -0.01 0.00 -1.81 0.00 0.00 61.98 59.13 2jra s VAL 25 Cb -0.13 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 2jra s VAL 25 CO 0.02 0.56 0.42 -0.94 -0.31 0.00 0.00 175.10 174.85 2jra s SER 26 N -0.69 6.39 -0.17 4.85 1.04 -1.26 -5.09 113.70 118.76 2jra s SER 26 Ca 0.11 0.44 0.01 0.00 0.48 0.00 0.00 55.95 56.99 2jra s SER 26 Cb -0.10 -2.03 0.02 0.00 0.10 0.00 0.00 66.02 64.01 2jra s SER 26 CO -0.00 -0.07 -0.18 -0.63 0.98 0.00 0.00 173.24 173.33 2jra s ILE 27 N -1.92 1.92 -0.49 -1.02 -1.09 -1.26 -4.73 121.20 112.62 2jra s ILE 27 Ca 0.39 -0.87 -0.11 0.00 -2.23 0.00 0.00 60.65 57.84 2jra s ILE 27 Cb -0.11 -1.76 0.12 0.00 -1.58 0.00 0.00 42.46 39.13 2jra s ILE 27 CO 0.29 0.50 0.38 0.68 -1.23 0.00 0.00 174.94 175.57 2jra s VAL 28 N 1.34 4.44 0.00 2.92 -7.23 -0.39 -4.72 120.40 116.77 2jra s VAL 28 Ca 0.05 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 2jra s VAL 28 Cb -0.13 -3.90 0.00 0.00 0.56 0.00 0.00 36.38 32.91 2jra s VAL 28 CO -0.12 -0.79 0.00 0.61 -0.31 0.00 0.00 175.10 174.49 2jra n GLY 29 N 4.99 2.21 0.32 2.32 0.00 -1.26 -1.72 105.19 112.05 2jra n GLY 29 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 3.98 0.00 -4.59 1.61 6.94 -1.26 -5.15 115.26 116.79 2jra n ASN 30 Ca 0.00 -0.71 -0.31 0.00 -0.02 0.00 0.00 54.58 53.54 2jra n ASN 30 Cb 0.00 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.32 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 2.34 -0.08 -3.83 0.74 -0.70 -5.10 119.66 113.04 2jra s GLN 31 Ca 0.00 -0.88 -0.15 0.00 0.05 0.00 0.00 55.36 54.38 2jra s GLN 31 Cb 0.00 -2.40 0.03 0.00 1.10 0.00 0.00 33.01 31.74 2jra s GLN 31 CO 0.00 0.55 0.36 -1.50 -0.55 0.00 0.00 175.29 174.15 2jra s ILE 32 N -1.12 0.03 0.08 -2.34 2.07 -1.26 -1.26 121.20 117.40 2jra s ILE 32 Ca 0.20 -0.23 -0.02 0.00 -1.41 0.00 0.00 60.65 59.19 2jra s ILE 32 Cb -0.11 -0.60 -0.05 0.00 0.13 0.00 0.00 42.46 41.83 2jra s ILE 32 CO 0.11 -0.13 0.27 -0.62 -1.91 0.00 0.00 174.94 172.67 2jra s ASP 33 N -0.61 6.41 0.55 4.50 -1.08 -1.26 -4.99 116.67 120.19 2jra s ASP 33 Ca -0.07 0.40 0.31 0.00 -0.52 0.00 0.00 52.55 52.67 2jra s ASP 33 Cb -0.04 -2.01 1.55 0.00 -1.46 0.00 0.00 42.92 40.95 2jra s ASP 33 CO 0.03 0.14 2.08 0.77 0.52 0.00 0.00 175.17 178.71 2jra h SER 34 N 3.07 0.00 -0.39 -0.34 4.64 -2.02 -2.84 113.55 115.67 2jra h SER 34 Ca -0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 2jra h SER 34 Cb 1.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 2jra h SER 34 CO 0.74 0.08 0.20 0.03 -0.87 0.00 0.00 176.83 177.01 2jra h ARG 35 N 0.00 0.56 -0.63 4.77 3.08 -1.94 -0.59 114.38 119.64 2jra h ARG 35 Ca -0.00 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.02 2jra h ARG 35 Cb 0.36 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 2jra h ARG 35 CO 0.01 0.48 0.36 0.93 -1.07 0.00 0.00 179.97 180.68 2jra h GLU 36 N 0.49 0.66 -0.00 0.04 4.39 -1.92 0.64 114.58 118.89 2jra h GLU 36 Ca 0.13 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.66 2jra h GLU 36 Cb 0.10 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2jra h GLU 36 CO -0.02 0.44 -0.51 -0.07 -1.16 0.00 0.00 179.01 177.69 2jra h LEU 37 N 0.68 0.46 -3.26 1.33 3.38 -1.62 -3.35 115.31 112.93 2jra h LEU 37 Ca 0.27 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2jra h LEU 37 Cb 0.11 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2jra h LEU 37 CO -0.15 1.16 0.00 0.49 0.09 0.00 0.00 178.44 180.03 2jra n PHE 38 N -4.29 1.22 -0.26 1.13 3.72 -0.24 -4.53 117.46 114.21 2jra n PHE 38 Ca -0.10 -0.76 -0.02 0.00 -0.05 0.00 0.00 57.45 56.53 2jra n PHE 38 Cb 0.63 -0.31 0.10 0.00 -0.94 0.00 0.00 39.48 38.96 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 2.66 1.03 -2.07 4.37 1.03 0.16 -3.25 112.91 116.84 2jra h THR 39 Ca 0.00 -0.28 -0.54 0.00 -0.01 0.00 0.00 66.41 65.58 2jra h THR 39 Cb 1.47 0.14 -0.40 0.00 -1.07 0.00 0.00 68.15 68.29 2jra h THR 39 CO 0.26 0.15 -1.01 1.33 -0.01 0.00 0.00 175.52 176.24 2jra n VAL 40 N -4.70 0.46 0.00 0.00 0.24 -1.26 -5.06 118.33 108.01 2jra n VAL 40 Ca 0.09 -4.62 0.00 0.00 -2.04 0.00 0.00 64.34 57.77 2jra n VAL 40 Cb 0.14 -1.26 0.00 0.00 -1.47 0.00 0.00 33.84 31.25 2jra n VAL 40 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2jra n ASP 41 N 0.67 0.00 0.00 -1.34 -0.08 -0.95 -4.14 116.55 110.71 2jra n ASP 41 Ca 0.25 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.53 2jra n ASP 41 Cb 0.54 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 2jra n ASP 41 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2jra n ARG 42 N -0.44 0.00 -3.76 -0.67 0.63 -1.17 -4.55 116.66 106.70 2jra n ARG 42 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 2jra n ARG 42 Cb 0.00 -0.48 -0.12 0.00 0.45 0.00 0.00 32.46 32.30 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 0.00 0.26 -0.05 -0.14 2.12 -1.26 -1.38 118.70 118.25 2jra s GLU 43 Ca 0.00 0.44 0.06 0.00 0.36 0.00 0.00 54.97 55.84 2jra s GLU 43 Cb 0.00 0.03 -0.01 0.00 0.26 0.00 0.00 34.13 34.40 2jra s GLU 43 CO 0.00 -0.09 -0.25 0.42 -0.54 0.00 0.00 175.26 174.80 2jra s ILE 44 N 0.65 2.02 -0.40 -3.70 -1.09 0.30 -4.98 121.20 114.00 2jra s ILE 44 Ca -0.04 -1.06 -0.13 0.00 -2.23 0.00 0.00 60.65 57.19 2jra s ILE 44 Cb -0.06 -1.70 0.03 0.00 -1.58 0.00 0.00 42.46 39.15 2jra s ILE 44 CO -0.04 0.56 0.26 -0.69 -1.23 0.00 0.00 174.94 173.81 2jra s VAL 45 N -0.25 4.94 -0.50 2.92 1.01 -1.26 0.29 120.40 127.54 2jra s VAL 45 Ca -0.01 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 60.97 2jra s VAL 45 Cb -0.13 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.52 2jra s VAL 45 CO 0.03 -0.30 0.73 -0.63 0.00 0.00 0.00 175.10 174.92 2jra s ILE 46 N 1.62 4.72 0.13 2.22 1.01 0.32 -4.89 121.20 126.33 2jra s ILE 46 Ca 0.04 -0.12 -0.20 0.00 0.00 0.00 0.00 60.65 60.37 2jra s ILE 46 Cb -0.19 -4.35 -0.07 0.00 0.01 0.00 0.00 42.46 37.85 2jra s ILE 46 CO 0.08 -0.85 0.64 0.00 0.00 0.00 0.00 174.94 174.81 2jra s ALA 47 N 3.07 3.52 -0.30 9.38 0.00 -1.26 0.02 121.76 136.19 2jra s ALA 47 Ca 0.21 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.29 2jra s ALA 47 Cb -0.16 -2.73 0.14 0.00 0.00 0.00 0.00 23.12 20.37 2jra s ALA 47 CO 0.16 0.37 0.31 -1.58 0.00 0.00 0.00 175.76 175.02 2jra s HIS 48 N -1.25 -0.44 0.00 0.00 5.04 -0.33 -4.96 115.29 113.35 2jra s HIS 48 Ca 0.35 -0.29 0.00 0.00 -1.54 0.00 0.00 55.06 53.58 2jra s HIS 48 Cb -0.19 -0.45 0.00 0.00 0.04 0.00 0.00 32.58 31.98 2jra s HIS 48 CO 0.21 -0.93 0.00 0.41 -2.34 0.00 0.00 174.74 172.09 2jra n GLY 49 N 5.11 1.65 0.00 1.59 0.00 -1.26 -2.57 105.19 109.71 2jra n GLY 49 Ca 0.01 -0.35 0.03 0.00 0.00 0.00 0.00 46.02 45.70 2jra n GLY 49 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jra n ASP 50 N 7.05 2.84 -4.89 1.61 9.92 -1.26 -5.04 116.55 126.79 2jra n ASP 50 Ca 0.00 -0.16 -0.29 0.00 -0.53 0.00 0.00 54.79 53.81 2jra n ASP 50 Cb 0.00 1.20 -0.02 0.00 -0.64 0.00 0.00 41.12 41.66 2jra n ASP 50 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2jra s ASP 51 N -2.37 6.39 -0.05 -2.24 1.11 -1.06 -5.09 116.67 113.35 2jra s ASP 51 Ca -0.01 1.02 0.01 0.00 0.18 0.00 0.00 52.55 53.75 2jra s ASP 51 Cb 0.04 -2.28 0.02 0.00 1.07 0.00 0.00 42.92 41.77 2jra s ASP 51 CO 0.23 -0.48 -0.05 -0.13 1.18 0.00 0.00 175.17 175.92 2jra s ARG 52 N -4.28 0.89 0.28 8.23 0.52 -1.26 -1.19 118.95 122.13 2jra s ARG 52 Ca 0.49 -0.11 0.08 0.00 -0.52 0.00 0.00 55.73 55.67 2jra s ARG 52 Cb -0.10 -0.92 -0.04 0.00 0.52 0.00 0.00 34.95 34.41 2jra s ARG 52 CO 0.38 -0.11 0.16 0.71 0.02 0.00 0.00 175.30 176.46 2jra s TYR 53 N 1.04 2.94 -0.21 -0.53 1.51 0.10 -4.75 117.35 117.45 2jra s TYR 53 Ca -0.09 -0.19 -0.01 0.00 -1.01 0.00 0.00 57.07 55.77 2jra s TYR 53 Cb -0.14 -1.43 0.06 0.00 -0.11 0.00 0.00 41.96 40.34 2jra s TYR 53 CO -0.01 0.48 -0.02 1.03 -1.11 0.00 0.00 175.55 175.92 2jra s ARG 54 N -3.82 1.23 -0.53 -0.62 0.52 0.14 -0.52 118.95 115.35 2jra s ARG 54 Ca 0.34 -0.71 -0.24 0.00 -0.52 0.00 0.00 55.73 54.61 2jra s ARG 54 Cb -0.07 -2.33 0.04 0.00 0.52 0.00 0.00 34.95 33.12 2jra s ARG 54 CO 0.24 -0.59 0.90 -1.17 0.02 0.00 0.00 175.30 174.70 2jra s LEU 55 N 1.60 4.17 -0.06 2.53 2.96 0.14 -1.25 118.68 128.78 2jra s LEU 55 Ca -0.03 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 2jra s LEU 55 Cb -0.18 -2.86 -0.02 0.00 0.50 0.00 0.00 46.19 43.63 2jra s LEU 55 CO -0.07 -1.15 -0.13 -0.60 -1.32 0.00 0.00 176.35 173.08 2jra s ARG 56 N 3.76 2.64 -0.15 1.98 3.52 -0.55 -0.54 118.95 129.61 2jra s ARG 56 Ca 0.30 -0.68 -0.06 0.00 -0.13 0.00 0.00 55.73 55.16 2jra s ARG 56 Cb -0.13 -2.43 -0.04 0.00 -1.56 0.00 0.00 34.95 30.79 2jra s ARG 56 CO 0.20 0.58 0.06 -1.17 -0.81 0.00 0.00 175.30 174.16 2jra s LEU 57 N -0.61 3.85 0.46 -0.88 2.96 -0.48 -1.24 118.68 122.75 2jra s LEU 57 Ca 0.09 0.16 -0.02 0.00 -0.22 0.00 0.00 54.13 54.14 2jra s LEU 57 Cb -0.11 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 2jra s LEU 57 CO 0.01 0.27 0.71 0.42 -1.32 0.00 0.00 176.35 176.44 2jra s THR 58 N -0.20 4.42 -0.76 3.68 -4.23 0.08 -4.91 115.64 113.73 2jra s THR 58 Ca 0.08 -0.23 -0.25 0.00 -1.18 0.00 0.00 61.69 60.11 2jra s THR 58 Cb -0.12 -3.66 -0.14 0.00 1.34 0.00 0.00 72.50 69.92 2jra s THR 58 CO 0.01 -0.54 2.41 -1.20 -0.54 0.00 0.00 174.62 174.76 2jra n SER 59 N -2.15 1.70 0.00 3.99 7.64 -1.26 -3.81 113.62 119.73 2jra n SER 59 Ca 0.00 -1.28 0.00 0.00 1.01 0.00 0.00 58.87 58.61 2jra n SER 59 Cb 0.57 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 2jra n SER 59 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2jra n GLN 60 N 8.66 0.00 0.00 1.43 7.27 -1.26 -4.76 117.38 128.72 2jra n GLN 60 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.54 2jra n GLN 60 Cb 0.43 -0.15 0.00 0.00 2.41 0.00 0.00 30.24 32.93 2jra n GLN 60 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 2jra n ASN 61 N 1.41 0.00 -0.54 1.69 2.85 -1.25 -4.98 115.26 114.44 2jra n ASN 61 Ca 0.00 0.71 0.00 0.00 -0.11 0.00 0.00 54.58 55.18 2jra n ASN 61 Cb 0.00 -0.21 0.00 0.00 1.24 0.00 0.00 39.78 40.81 2jra n ASN 61 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 2jra n LYS 62 N -1.34 0.00 -4.07 1.20 2.85 -1.26 -5.03 118.16 110.51 2jra n LYS 62 Ca 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 2jra n LYS 62 Cb 0.00 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.29 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 1.68 0.24 -5.58 2.34 -1.26 -0.74 118.68 115.36 2jra s LEU 63 Ca 0.00 -1.05 -0.08 0.00 0.06 0.00 0.00 54.13 53.07 2jra s LEU 63 Cb 0.00 0.55 -0.02 0.00 -0.56 0.00 0.00 46.19 46.16 2jra s LEU 63 CO 0.00 -0.74 0.35 0.27 -1.06 0.00 0.00 176.35 175.16 2jra s ILE 64 N -3.99 0.00 -0.21 1.48 -5.25 -0.37 -4.99 121.20 107.87 2jra s ILE 64 Ca 0.18 -1.65 0.01 0.00 -0.99 0.00 0.00 60.65 58.21 2jra s ILE 64 Cb 0.06 -2.35 0.04 0.00 2.95 0.00 0.00 42.46 43.17 2jra s ILE 64 CO -0.02 0.00 -0.11 -0.22 -1.79 0.00 0.00 174.94 172.80 2jra s LEU 65 N -3.09 2.50 0.04 0.37 1.98 -1.26 -1.48 118.68 117.74 2jra s LEU 65 Ca 0.29 -0.98 -0.00 0.00 -2.89 0.00 0.00 54.13 50.56 2jra s LEU 65 Cb 0.02 -1.31 -0.03 0.00 0.66 0.00 0.00 46.19 45.53 2jra s LEU 65 CO 0.11 -0.14 -0.04 0.28 -1.89 0.00 0.00 176.35 174.67 2jra s THR 66 N 1.33 0.26 0.00 3.68 -1.32 -0.38 -4.96 115.64 114.26 2jra s THR 66 Ca -0.02 -1.39 0.00 0.00 -1.21 0.00 0.00 61.69 59.06 2jra s THR 66 Cb -0.17 -0.95 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 2jra s THR 66 CO -0.08 -0.73 0.19 2.29 -2.21 0.00 0.00 174.62 174.09