#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jra h MET 2 N 0.00 0.32 -3.42 2.12 -0.00 -2.08 -3.41 114.93 108.45 2jra h MET 2 Ca 0.00 -0.54 -0.71 0.00 -0.00 0.00 0.00 59.70 58.44 2jra h MET 2 Cb 0.00 0.20 -0.34 0.00 -0.00 0.00 0.00 31.60 31.46 2jra h MET 2 CO 0.00 1.26 -0.13 0.95 -0.00 0.00 0.00 176.91 178.99 2jra s THR 3 N -2.54 4.33 -0.46 -0.10 -4.23 -1.26 -4.79 115.64 106.59 2jra s THR 3 Ca -0.19 -3.52 0.22 0.00 -1.18 0.00 0.00 61.69 57.02 2jra s THR 3 Cb 0.05 -3.71 -0.16 0.00 1.34 0.00 0.00 72.50 70.02 2jra s THR 3 CO 0.80 -1.03 0.89 0.00 -0.54 0.00 0.00 174.62 174.74 2jra n ALA 4 N 2.75 3.27 -1.60 3.99 0.00 -1.26 -4.69 120.51 122.97 2jra n ALA 4 Ca 0.17 -0.43 -0.47 0.00 0.00 0.00 0.00 53.44 52.72 2jra n ALA 4 Cb 0.38 -0.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.86 2jra n ALA 4 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jra n SER 5 N -2.08 3.17 0.00 0.00 7.64 -1.26 -0.52 113.62 120.56 2jra n SER 5 Ca 0.00 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.51 2jra n SER 5 Cb 0.47 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 2jra n SER 5 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2jra n ASP 6 N 8.84 0.00 0.28 6.43 2.03 -1.26 -4.61 116.55 128.26 2jra n ASP 6 Ca 0.29 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.45 2jra n ASP 6 Cb 0.33 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.66 2jra n ASP 6 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2jra h ARG 7 N 0.00 -0.71 -5.13 -0.67 9.65 -1.80 -3.39 114.38 112.34 2jra h ARG 7 Ca 0.00 0.05 -0.67 0.00 -1.10 0.00 0.00 59.98 58.25 2jra h ARG 7 Cb 0.00 0.16 -0.17 0.00 -1.39 0.00 0.00 29.97 28.57 2jra h ARG 7 CO 0.00 -0.40 -0.02 -0.51 2.80 0.00 0.00 179.97 181.84 2jra s LEU 8 N -9.60 4.71 0.00 3.80 1.02 0.32 -4.52 118.68 114.41 2jra s LEU 8 Ca -0.14 -0.55 0.00 0.00 0.02 0.00 0.00 54.13 53.46 2jra s LEU 8 Cb 0.02 -2.55 0.00 0.00 0.02 0.00 0.00 46.19 43.68 2jra s LEU 8 CO 0.49 -0.71 0.00 0.61 0.02 0.00 0.00 176.35 176.76 2jra n GLY 9 N 5.08 0.01 3.15 -3.19 0.00 -1.26 -4.64 105.19 104.34 2jra n GLY 9 Ca -0.05 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.01 2jra n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jra s ALA 10 N -0.52 -2.52 0.01 4.61 0.00 -1.26 -5.12 121.76 116.96 2jra s ALA 10 Ca 0.00 1.58 0.05 0.00 0.00 0.00 0.00 51.96 53.59 2jra s ALA 10 Cb 0.00 -2.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.77 2jra s ALA 10 CO 0.00 -1.51 -0.16 -0.51 0.00 0.00 0.00 175.76 173.58 2jra s ASP 11 N 2.87 1.94 -0.04 0.00 1.11 -1.26 -5.02 116.67 116.27 2jra s ASP 11 Ca 0.16 -0.37 0.01 0.00 0.18 0.00 0.00 52.55 52.53 2jra s ASP 11 Cb -0.13 -0.19 0.09 0.00 1.07 0.00 0.00 42.92 43.77 2jra s ASP 11 CO -0.21 0.15 0.86 -0.81 1.18 0.00 0.00 175.17 176.34 2jra n PRO 12 N 2.35 1.34 -0.19 8.23 -0.04 -1.26 -4.36 135.00 141.07 2jra n PRO 12 Ca -0.16 -0.38 -0.02 0.00 -0.04 0.00 0.00 63.50 62.90 2jra n PRO 12 Cb 0.54 -1.40 0.04 0.00 -0.04 0.00 0.00 33.50 32.65 2jra n PRO 12 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2jra n THR 13 N 0.17 1.08 -2.34 0.52 -2.24 -1.26 -4.77 114.28 105.44 2jra n THR 13 Ca 0.05 -0.29 -0.36 0.00 -2.27 0.00 0.00 64.05 61.18 2jra n THR 13 Cb 0.49 -0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 67.92 2jra n THR 13 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2jra s GLN 14 N -0.80 3.26 0.00 -0.78 0.74 -1.26 -4.24 119.66 116.59 2jra s GLN 14 Ca 0.09 -1.47 0.00 0.00 0.05 0.00 0.00 55.36 54.03 2jra s GLN 14 Cb 0.08 -5.37 0.00 0.00 1.10 0.00 0.00 33.01 28.81 2jra s GLN 14 CO 0.02 -3.02 0.00 0.00 -0.55 0.00 0.00 175.29 171.74 2jra n ALA 15 N 11.20 1.99 0.11 1.58 0.00 -1.26 -4.78 120.51 129.34 2jra n ALA 15 Ca 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.87 2jra n ALA 15 Cb 0.47 0.30 0.01 0.00 0.00 0.00 0.00 19.45 20.23 2jra n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jra n ALA 16 N -2.08 3.49 -1.76 0.00 0.00 -1.26 -4.62 120.51 114.27 2jra n ALA 16 Ca 0.00 -0.26 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 2jra n ALA 16 Cb 0.30 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 2jra n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2jra s SER 17 N 1.27 6.51 -0.29 0.00 0.01 -1.26 -4.80 113.70 115.13 2jra s SER 17 Ca 0.05 2.55 0.05 0.00 1.31 0.00 0.00 55.95 59.91 2jra s SER 17 Cb 0.04 -2.53 0.20 0.00 0.21 0.00 0.00 66.02 63.93 2jra s SER 17 CO 0.00 -1.02 0.58 -0.94 0.41 0.00 0.00 173.24 172.27 2jra s SER 18 N 4.13 -1.45 0.23 2.44 1.04 -1.26 -1.20 113.70 117.64 2jra s SER 18 Ca 0.84 0.25 -0.07 0.00 0.48 0.00 0.00 55.95 57.45 2jra s SER 18 Cb -0.40 1.99 0.22 0.00 0.10 0.00 0.00 66.02 67.93 2jra s SER 18 CO 0.38 -0.30 1.89 1.55 0.98 0.00 0.00 173.24 177.74 2jra h PRO 19 N 8.01 1.24 0.00 4.02 0.13 -1.93 -3.49 132.00 139.99 2jra h PRO 19 Ca -0.05 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2jra h PRO 19 Cb 1.18 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2jra h PRO 19 CO 0.17 0.86 0.00 0.41 -0.23 0.00 0.00 178.00 179.21 2jra n GLY 20 N -1.26 1.68 3.36 1.56 0.00 -1.26 -5.16 105.19 104.11 2jra n GLY 20 Ca 0.10 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 -0.39 -0.17 -0.02 0.00 -1.26 -5.16 107.32 100.32 2jra s GLY 21 Ca 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 44.72 44.95 2jra s GLY 21 CO 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 173.10 173.00 2jra s ALA 22 N -3.34 2.79 0.06 3.20 0.00 -1.26 -5.09 121.76 118.12 2jra s ALA 22 Ca -0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 51.96 50.88 2jra s ALA 22 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.62 2jra s ALA 22 CO -0.09 -0.04 0.19 -0.98 0.00 0.00 0.00 175.76 174.83 2jra s ARG 23 N 0.82 0.75 -0.35 0.00 1.70 -1.26 -5.13 118.95 115.48 2jra s ARG 23 Ca -0.02 -0.78 -0.12 0.00 -0.47 0.00 0.00 55.73 54.33 2jra s ARG 23 Cb -0.15 0.31 -0.01 0.00 -0.57 0.00 0.00 34.95 34.53 2jra s ARG 23 CO 0.01 -0.22 0.23 0.00 -1.08 0.00 0.00 175.30 174.24 2jra s ALA 24 N -3.14 3.44 -0.16 7.88 0.00 -1.26 -5.07 121.76 123.45 2jra s ALA 24 Ca -0.01 -1.46 -0.06 0.00 0.00 0.00 0.00 51.96 50.43 2jra s ALA 24 Cb 0.02 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 2jra s ALA 24 CO -0.07 -1.07 0.06 0.14 0.00 0.00 0.00 175.76 174.82 2jra s VAL 25 N 1.68 4.80 0.08 0.00 -7.23 -1.26 -5.09 120.40 113.38 2jra s VAL 25 Ca 0.05 -0.04 -0.08 0.00 -1.81 0.00 0.00 61.98 60.10 2jra s VAL 25 Cb -0.18 -3.13 -0.06 0.00 0.56 0.00 0.00 36.38 33.58 2jra s VAL 25 CO 0.09 0.51 0.38 -0.94 -0.31 0.00 0.00 175.10 174.82 2jra s SER 26 N -0.03 6.59 -0.18 4.85 1.04 -1.26 -5.08 113.70 119.62 2jra s SER 26 Ca 0.06 0.71 -0.02 0.00 0.48 0.00 0.00 55.95 57.19 2jra s SER 26 Cb -0.12 -2.15 -0.00 0.00 0.10 0.00 0.00 66.02 63.85 2jra s SER 26 CO 0.01 0.16 -0.11 -0.63 0.98 0.00 0.00 173.24 173.65 2jra s ILE 27 N -1.44 2.99 -0.54 -1.02 -1.09 -1.26 -4.53 121.20 114.31 2jra s ILE 27 Ca 0.34 -0.64 -0.11 0.00 -2.23 0.00 0.00 60.65 58.00 2jra s ILE 27 Cb -0.13 -2.31 0.14 0.00 -1.58 0.00 0.00 42.46 38.58 2jra s ILE 27 CO 0.19 0.48 0.44 0.68 -1.23 0.00 0.00 174.94 175.50 2jra s VAL 28 N 1.04 4.61 0.00 2.92 -7.23 0.60 -4.77 120.40 117.57 2jra s VAL 28 Ca -0.00 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.31 2jra s VAL 28 Cb -0.15 -3.98 0.00 0.00 0.56 0.00 0.00 36.38 32.81 2jra s VAL 28 CO -0.02 -0.84 0.00 0.61 -0.31 0.00 0.00 175.10 174.55 2jra n GLY 29 N 4.82 2.16 0.42 2.32 0.00 -1.26 -2.00 105.19 111.65 2jra n GLY 29 Ca -0.06 -0.07 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 4.00 0.00 -4.53 1.61 6.94 -1.26 -5.14 115.26 116.87 2jra n ASN 30 Ca 0.00 -0.83 -0.31 0.00 -0.02 0.00 0.00 54.58 53.42 2jra n ASN 30 Cb 0.00 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.31 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 2.18 0.05 -3.83 0.74 -0.84 -5.11 119.66 112.85 2jra s GLN 31 Ca 0.00 -0.95 0.02 0.00 0.05 0.00 0.00 55.36 54.49 2jra s GLN 31 Cb 0.00 -2.29 -0.03 0.00 1.10 0.00 0.00 33.01 31.79 2jra s GLN 31 CO 0.00 0.54 -0.08 -1.50 -0.55 0.00 0.00 175.29 173.70 2jra s ILE 32 N -1.04 0.58 -0.13 -2.34 2.07 -1.26 -0.29 121.20 118.78 2jra s ILE 32 Ca 0.17 -1.17 -0.04 0.00 -1.41 0.00 0.00 60.65 58.20 2jra s ILE 32 Cb -0.11 -0.73 -0.03 0.00 0.13 0.00 0.00 42.46 41.72 2jra s ILE 32 CO 0.09 -0.42 0.02 -0.62 -1.91 0.00 0.00 174.94 172.09 2jra s ASP 33 N -1.73 5.34 0.60 4.50 2.15 -1.26 -4.99 116.67 121.28 2jra s ASP 33 Ca -0.08 0.08 0.29 0.00 0.43 0.00 0.00 52.55 53.28 2jra s ASP 33 Cb -0.09 -1.74 1.63 0.00 -0.30 0.00 0.00 42.92 42.43 2jra s ASP 33 CO -0.00 0.27 2.04 -1.28 -0.17 0.00 0.00 175.17 176.03 2jra h SER 34 N 5.98 0.00 0.05 -0.34 0.87 -2.00 0.31 113.55 118.41 2jra h SER 34 Ca -0.42 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 59.98 2jra h SER 34 Cb 1.19 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 2jra h SER 34 CO 0.62 0.00 -0.55 0.03 -0.53 0.00 0.00 176.83 176.40 2jra h ARG 35 N 0.00 0.53 -0.37 2.24 -0.00 -1.94 -0.42 114.38 114.43 2jra h ARG 35 Ca 0.11 -0.34 0.08 0.00 -0.50 0.00 0.00 59.98 59.33 2jra h ARG 35 Cb 0.67 0.04 -0.08 0.00 0.00 0.00 0.00 29.97 30.61 2jra h ARG 35 CO -0.00 0.94 -0.13 0.93 0.00 0.00 0.00 179.97 181.71 2jra h GLU 36 N 0.41 -0.05 0.01 0.04 4.39 -1.34 -0.84 114.58 117.19 2jra h GLU 36 Ca 0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 2jra h GLU 36 Cb 1.09 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 2jra h GLU 36 CO 0.10 -0.03 -0.00 -0.07 -1.16 0.00 0.00 179.01 177.85 2jra h LEU 37 N -0.05 -0.01 -3.90 1.33 3.38 -1.57 -3.37 115.31 111.12 2jra h LEU 37 Ca 0.18 -0.71 -0.51 0.00 0.09 0.00 0.00 57.88 56.93 2jra h LEU 37 Cb 0.33 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.79 2jra h LEU 37 CO -0.41 0.84 0.65 0.49 0.09 0.00 0.00 178.44 180.10 2jra n PHE 38 N -4.67 2.94 -0.14 1.13 3.72 -0.17 -4.51 117.46 115.75 2jra n PHE 38 Ca -0.07 -1.90 -0.04 0.00 -0.05 0.00 0.00 57.45 55.38 2jra n PHE 38 Cb 0.35 -0.97 0.05 0.00 -0.94 0.00 0.00 39.48 37.97 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 0.95 0.81 -1.06 4.37 1.03 -1.31 -3.37 112.91 114.33 2jra h THR 39 Ca 0.60 -0.09 -0.39 0.00 -0.01 0.00 0.00 66.41 66.52 2jra h THR 39 Cb 2.57 0.50 -0.28 0.00 -1.07 0.00 0.00 68.15 69.88 2jra h THR 39 CO 1.10 0.05 -0.83 0.55 -0.01 0.00 0.00 175.52 176.39 2jra n VAL 40 N -5.06 -0.29 0.00 0.00 3.14 -1.26 -5.11 118.33 109.76 2jra n VAL 40 Ca 0.04 -2.92 0.00 0.00 -2.96 0.00 0.00 64.34 58.50 2jra n VAL 40 Cb 0.19 -0.07 0.00 0.00 -1.06 0.00 0.00 33.84 32.90 2jra n VAL 40 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2jra n ASP 41 N 1.18 0.00 -0.00 6.55 8.00 -1.26 -4.74 116.55 126.28 2jra n ASP 41 Ca 0.16 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.66 2jra n ASP 41 Cb 0.61 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.70 2jra n ASP 41 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2jra n ARG 42 N -0.02 4.59 -3.77 -1.24 0.63 -0.34 -4.72 116.66 111.80 2jra n ARG 42 Ca 0.00 -0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 2jra n ARG 42 Cb 0.00 -0.71 -0.12 0.00 0.45 0.00 0.00 32.46 32.08 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 -1.43 0.29 -0.03 -0.14 2.12 -1.22 -1.54 118.70 116.75 2jra s GLU 43 Ca 0.00 0.41 0.07 0.00 0.36 0.00 0.00 54.97 55.82 2jra s GLU 43 Cb 0.01 0.09 -0.02 0.00 0.26 0.00 0.00 34.13 34.48 2jra s GLU 43 CO 0.07 -0.07 -0.24 0.42 -0.54 0.00 0.00 175.26 174.90 2jra s ILE 44 N 0.41 1.93 -0.06 -3.70 -1.09 0.36 -4.87 121.20 114.18 2jra s ILE 44 Ca -0.02 -1.04 -0.04 0.00 -2.23 0.00 0.00 60.65 57.32 2jra s ILE 44 Cb -0.04 -1.61 -0.04 0.00 -1.58 0.00 0.00 42.46 39.19 2jra s ILE 44 CO -0.02 0.55 0.15 -0.69 -1.23 0.00 0.00 174.94 173.70 2jra s VAL 45 N -0.49 5.39 -0.24 2.92 1.01 -1.26 0.28 120.40 128.01 2jra s VAL 45 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 2jra s VAL 45 Cb -0.10 -3.43 0.07 0.00 0.00 0.00 0.00 36.38 32.92 2jra s VAL 45 CO -0.00 0.46 0.04 -0.63 0.00 0.00 0.00 175.10 174.97 2jra s ILE 46 N -1.18 0.79 0.03 2.22 1.01 0.98 -4.93 121.20 120.13 2jra s ILE 46 Ca 0.21 -0.92 -0.23 0.00 0.00 0.00 0.00 60.65 59.72 2jra s ILE 46 Cb -0.12 -1.35 -0.06 0.00 0.01 0.00 0.00 42.46 40.94 2jra s ILE 46 CO 0.12 -0.33 0.69 0.00 0.00 0.00 0.00 174.94 175.42 2jra s ALA 47 N 1.71 3.43 -0.28 9.38 0.00 -1.26 -0.22 121.76 134.52 2jra s ALA 47 Ca 0.01 0.18 -0.00 0.00 0.00 0.00 0.00 51.96 52.15 2jra s ALA 47 Cb -0.17 -2.88 0.14 0.00 0.00 0.00 0.00 23.12 20.20 2jra s ALA 47 CO -0.13 0.13 0.33 -1.58 0.00 0.00 0.00 175.76 174.51 2jra s HIS 48 N -0.19 -0.64 0.00 0.00 5.04 -0.92 -4.99 115.29 113.59 2jra s HIS 48 Ca 0.35 0.09 0.00 0.00 -1.54 0.00 0.00 55.06 53.96 2jra s HIS 48 Cb -0.20 -0.32 0.00 0.00 0.04 0.00 0.00 32.58 32.10 2jra s HIS 48 CO 0.21 -0.90 0.00 0.41 -2.34 0.00 0.00 174.74 172.12 2jra n GLY 49 N 5.33 1.73 0.00 1.59 0.00 -1.26 -2.99 105.19 109.59 2jra n GLY 49 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 4.88 1.24 -4.99 1.61 8.00 -1.26 -5.11 116.55 120.92 2jra n ASP 50 Ca 0.00 -0.02 -0.19 0.00 0.71 0.00 0.00 54.79 55.29 2jra n ASP 50 Cb 0.00 0.30 0.03 0.00 -0.02 0.00 0.00 41.12 41.42 2jra n ASP 50 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jra s ASP 51 N -0.54 5.45 -0.06 -2.24 2.15 -1.16 -5.12 116.67 115.15 2jra s ASP 51 Ca 0.00 -0.32 0.02 0.00 0.43 0.00 0.00 52.55 52.67 2jra s ASP 51 Cb 0.00 -0.63 0.02 0.00 -0.30 0.00 0.00 42.92 42.01 2jra s ASP 51 CO 0.00 -0.96 -0.09 -0.13 -0.17 0.00 0.00 175.17 173.81 2jra s ARG 52 N -4.53 1.37 0.26 4.34 0.52 -1.26 -2.16 118.95 117.49 2jra s ARG 52 Ca 0.57 -0.29 0.07 0.00 -0.52 0.00 0.00 55.73 55.55 2jra s ARG 52 Cb -0.10 -1.20 -0.03 0.00 0.52 0.00 0.00 34.95 34.14 2jra s ARG 52 CO 0.36 -0.02 0.23 0.71 0.02 0.00 0.00 175.30 176.59 2jra s TYR 53 N 0.79 3.13 -0.20 -0.53 1.51 0.70 -4.79 117.35 117.96 2jra s TYR 53 Ca -0.13 -0.12 -0.03 0.00 -1.01 0.00 0.00 57.07 55.79 2jra s TYR 53 Cb -0.15 -1.47 0.06 0.00 -0.11 0.00 0.00 41.96 40.29 2jra s TYR 53 CO 0.02 0.47 0.03 1.03 -1.11 0.00 0.00 175.55 175.99 2jra s ARG 54 N -3.88 0.72 -0.49 -0.62 0.52 0.18 -0.02 118.95 115.37 2jra s ARG 54 Ca 0.34 -0.49 -0.24 0.00 -0.52 0.00 0.00 55.73 54.82 2jra s ARG 54 Cb -0.08 -2.14 0.03 0.00 0.52 0.00 0.00 34.95 33.28 2jra s ARG 54 CO 0.26 -0.65 0.87 -1.17 0.02 0.00 0.00 175.30 174.63 2jra s LEU 55 N 1.82 4.15 -0.08 2.53 2.96 0.14 -1.16 118.68 129.04 2jra s LEU 55 Ca -0.01 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 2jra s LEU 55 Cb -0.17 -2.98 -0.03 0.00 0.50 0.00 0.00 46.19 43.52 2jra s LEU 55 CO -0.09 -1.06 -0.10 -0.60 -1.32 0.00 0.00 176.35 173.19 2jra s ARG 56 N 3.62 2.87 -0.05 1.98 3.52 -0.42 -0.49 118.95 129.98 2jra s ARG 56 Ca 0.32 -0.61 -0.01 0.00 -0.13 0.00 0.00 55.73 55.29 2jra s ARG 56 Cb -0.12 -2.56 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 2jra s ARG 56 CO 0.22 0.54 0.02 -1.17 -0.81 0.00 0.00 175.30 174.11 2jra s LEU 57 N -0.48 3.67 0.18 -0.88 2.96 -0.59 -1.06 118.68 122.48 2jra s LEU 57 Ca 0.07 0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 54.05 2jra s LEU 57 Cb -0.12 -1.97 -0.06 0.00 0.50 0.00 0.00 46.19 44.54 2jra s LEU 57 CO 0.02 0.34 0.43 0.42 -1.32 0.00 0.00 176.35 176.24 2jra s THR 58 N -1.00 5.10 -0.87 3.68 -4.23 0.70 -4.87 115.64 114.15 2jra s THR 58 Ca 0.17 0.10 -0.22 0.00 -1.18 0.00 0.00 61.69 60.57 2jra s THR 58 Cb -0.12 -3.64 -0.22 0.00 1.34 0.00 0.00 72.50 69.87 2jra s THR 58 CO 0.07 -0.03 2.41 -1.20 -0.54 0.00 0.00 174.62 175.32 2jra n SER 59 N -0.11 0.37 0.00 3.99 7.64 -1.26 -2.02 113.62 122.22 2jra n SER 59 Ca -0.02 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.33 2jra n SER 59 Cb 0.52 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 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 7.65 0.00 0.00 1.43 7.27 -1.26 -4.79 117.38 127.68 2jra n GLN 60 Ca 0.58 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.65 2jra n GLN 60 Cb 0.24 -2.67 0.00 0.00 2.41 0.00 0.00 30.24 30.22 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 0.00 0.00 -1.66 1.69 2.85 -0.86 -5.05 115.26 112.23 2jra n ASN 61 Ca 0.00 0.24 -0.04 0.00 -0.11 0.00 0.00 54.58 54.67 2jra n ASN 61 Cb 0.00 -0.04 -0.00 0.00 1.24 0.00 0.00 39.78 40.98 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 -0.63 0.31 -4.18 1.20 2.85 -1.25 -4.99 118.16 111.47 2jra n LYS 62 Ca 0.00 -0.88 -0.11 0.00 -1.05 0.00 0.00 58.31 56.27 2jra n LYS 62 Cb 0.00 0.95 -0.10 0.00 -0.65 0.00 0.00 35.03 35.23 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 2.42 0.22 -5.58 2.34 -1.26 -0.22 118.68 116.60 2jra s LEU 63 Ca 0.08 -1.04 -0.08 0.00 0.06 0.00 0.00 54.13 53.15 2jra s LEU 63 Cb -0.01 -0.04 -0.02 0.00 -0.56 0.00 0.00 46.19 45.56 2jra s LEU 63 CO 0.06 -0.50 0.32 0.27 -1.06 0.00 0.00 176.35 175.44 2jra s ILE 64 N -3.66 0.01 -0.21 1.48 -5.25 -0.22 -4.99 121.20 108.35 2jra s ILE 64 Ca 0.14 -1.64 0.01 0.00 -0.99 0.00 0.00 60.65 58.17 2jra s ILE 64 Cb 0.06 -2.27 0.04 0.00 2.95 0.00 0.00 42.46 43.23 2jra s ILE 64 CO -0.03 -0.04 -0.13 -0.22 -1.79 0.00 0.00 174.94 172.73 2jra s LEU 65 N -3.07 2.51 0.33 0.37 1.98 -1.26 -1.31 118.68 118.23 2jra s LEU 65 Ca 0.28 -0.95 0.07 0.00 -2.89 0.00 0.00 54.13 50.64 2jra s LEU 65 Cb 0.03 -1.36 -0.03 0.00 0.66 0.00 0.00 46.19 45.49 2jra s LEU 65 CO 0.09 -0.12 0.27 0.28 -1.89 0.00 0.00 176.35 174.98 2jra s THR 66 N 1.31 0.01 0.00 3.68 -1.32 -0.31 -4.97 115.64 114.03 2jra s THR 66 Ca -0.02 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.46 2jra s THR 66 Cb -0.16 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.33 2jra s THR 66 CO -0.09 0.00 0.00 2.29 -2.21 0.00 0.00 174.62 174.61