#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 0.88 0.03 2.12 0.00 -1.26 -5.18 119.30 115.89 2jra s MET 2 Ca 0.00 -1.08 -0.00 0.00 0.00 0.00 0.00 55.69 54.61 2jra s MET 2 Cb 0.00 0.32 -0.02 0.00 0.00 0.00 0.00 34.83 35.13 2jra s MET 2 CO 0.00 -0.28 -0.03 -0.08 0.00 0.00 0.00 175.02 174.63 2jra s THR 3 N -3.91 0.14 -1.35 3.16 -1.32 -1.26 -5.07 115.64 106.04 2jra s THR 3 Ca 0.09 -1.11 -0.16 0.00 -1.21 0.00 0.00 61.69 59.30 2jra s THR 3 Cb 0.05 -0.54 0.05 0.00 -1.51 0.00 0.00 72.50 70.55 2jra s THR 3 CO -0.08 -0.60 1.96 0.00 -2.21 0.00 0.00 174.62 173.69 2jra n ALA 4 N 1.28 4.36 -1.82 11.08 0.00 -1.26 -4.92 120.51 129.24 2jra n ALA 4 Ca -0.22 -3.83 -0.32 0.00 0.00 0.00 0.00 53.44 49.07 2jra n ALA 4 Cb 0.56 -3.58 -0.04 0.00 0.00 0.00 0.00 19.45 16.40 2jra n ALA 4 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jra s SER 5 N 3.86 4.76 -0.23 0.00 1.04 -1.26 -4.90 113.70 116.97 2jra s SER 5 Ca 0.51 0.34 -0.02 0.00 0.48 0.00 0.00 55.95 57.27 2jra s SER 5 Cb 0.08 -2.53 0.07 0.00 0.10 0.00 0.00 66.02 63.75 2jra s SER 5 CO 0.01 -2.85 0.03 -0.62 0.98 0.00 0.00 173.24 170.80 2jra s ASP 6 N 9.82 3.40 -0.15 7.02 -1.08 -1.26 -4.92 116.67 129.50 2jra s ASP 6 Ca 0.81 -1.11 0.17 0.00 -0.52 0.00 0.00 52.55 51.90 2jra s ASP 6 Cb -0.13 -0.79 0.33 0.00 -1.46 0.00 0.00 42.92 40.88 2jra s ASP 6 CO 0.16 -0.32 1.18 0.54 0.52 0.00 0.00 175.17 177.25 2jra n ARG 7 N 4.92 1.40 -1.97 4.34 5.12 -1.26 -5.08 116.66 124.13 2jra n ARG 7 Ca -0.08 -2.77 -0.29 0.00 -1.93 0.00 0.00 57.85 52.78 2jra n ARG 7 Cb 0.45 -1.54 0.07 0.00 -1.16 0.00 0.00 32.46 30.28 2jra n ARG 7 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2jra s LEU 8 N -2.97 2.73 0.00 0.55 1.43 -1.26 -5.08 118.68 114.07 2jra s LEU 8 Ca 0.34 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 2jra s LEU 8 Cb 0.31 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 43.05 2jra s LEU 8 CO 0.01 -1.62 0.00 0.61 0.23 0.00 0.00 176.35 175.58 2jra n GLY 9 N -3.11 1.83 3.71 -3.19 0.00 -1.26 -5.13 105.19 98.04 2jra n GLY 9 Ca 0.07 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.33 2.40 -2.63 4.61 0.00 -1.26 -4.94 120.51 118.37 2jra n ALA 10 Ca 0.00 0.40 -0.43 0.00 0.00 0.00 0.00 53.44 53.42 2jra n ALA 10 Cb 0.00 -2.46 -0.03 0.00 0.00 0.00 0.00 19.45 16.96 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 0.94 6.85 -0.33 0.00 2.15 -1.26 -4.96 116.67 120.06 2jra s ASP 11 Ca 0.73 0.91 -0.34 0.00 0.43 0.00 0.00 52.55 54.29 2jra s ASP 11 Cb -0.55 -2.52 -0.10 0.00 -0.30 0.00 0.00 42.92 39.46 2jra s ASP 11 CO 0.38 -0.87 2.20 -2.65 -0.17 0.00 0.00 175.17 174.06 2jra n PRO 12 N 6.85 1.25 -2.62 4.34 -0.02 -1.26 -4.90 135.00 138.65 2jra n PRO 12 Ca 0.10 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 2jra n PRO 12 Cb 0.47 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.29 2jra n PRO 12 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2jra s THR 13 N 7.62 3.98 -0.65 3.45 -4.23 -1.26 -4.98 115.64 119.57 2jra s THR 13 Ca 1.08 0.60 -0.27 0.00 -1.18 0.00 0.00 61.69 61.92 2jra s THR 13 Cb -0.74 -4.77 0.03 0.00 1.34 0.00 0.00 72.50 68.37 2jra s THR 13 CO 0.46 -1.49 1.18 -1.10 -0.54 0.00 0.00 174.62 173.12 2jra s GLN 14 N 5.05 3.32 -0.09 3.99 -1.52 -1.26 -4.97 119.66 124.19 2jra s GLN 14 Ca 0.38 -0.10 -0.01 0.00 -1.95 0.00 0.00 55.36 53.67 2jra s GLN 14 Cb -0.09 -4.11 0.03 0.00 -0.22 0.00 0.00 33.01 28.62 2jra s GLN 14 CO 0.20 -1.86 -0.03 0.00 -0.25 0.00 0.00 175.29 173.35 2jra s ALA 15 N 5.09 0.94 0.00 6.09 0.00 -1.26 -5.13 121.76 127.49 2jra s ALA 15 Ca 0.36 -0.28 -0.30 0.00 0.00 0.00 0.00 51.96 51.74 2jra s ALA 15 Cb -0.09 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 2jra s ALA 15 CO 0.19 -0.42 1.07 0.00 0.00 0.00 0.00 175.76 176.60 2jra s ALA 16 N 1.83 3.28 -1.19 0.00 0.00 -1.26 -4.94 121.76 119.48 2jra s ALA 16 Ca 0.04 0.63 -0.21 0.00 0.00 0.00 0.00 51.96 52.41 2jra s ALA 16 Cb -0.12 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 2jra s ALA 16 CO -0.06 -0.37 1.86 -1.54 0.00 0.00 0.00 175.76 175.64 2jra s SER 17 N 1.07 5.63 -0.24 0.00 1.04 -1.26 -4.94 113.70 115.01 2jra s SER 17 Ca 0.54 -1.81 -0.29 0.00 0.48 0.00 0.00 55.95 54.88 2jra s SER 17 Cb -0.24 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.26 2jra s SER 17 CO 0.27 -2.43 1.90 -0.94 0.98 0.00 0.00 173.24 173.02 2jra s SER 18 N 5.89 5.92 0.47 7.02 1.04 -1.26 -4.86 113.70 127.91 2jra s SER 18 Ca 0.63 1.67 0.26 0.00 0.48 0.00 0.00 55.95 58.99 2jra s SER 18 Cb 0.00 -2.52 0.58 0.00 0.10 0.00 0.00 66.02 64.18 2jra s SER 18 CO 0.10 -1.62 1.70 -0.65 0.98 0.00 0.00 173.24 173.74 2jra h PRO 19 N 12.85 0.00 0.00 4.02 0.11 -1.98 -3.49 132.00 143.51 2jra h PRO 19 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2jra h PRO 19 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2jra h PRO 19 CO 0.99 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.20 2jra n GLY 20 N 0.85 2.86 0.00 -0.55 0.00 -1.26 -4.97 105.19 102.11 2jra n GLY 20 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2jra n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jra n GLY 21 N 0.00 -1.89 3.42 -0.02 0.00 -1.26 -5.05 105.19 100.39 2jra n GLY 21 Ca 0.00 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.55 2.62 0.22 4.61 0.00 -1.26 -5.02 121.76 121.39 2jra s ALA 22 Ca 0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 50.90 2jra s ALA 22 Cb 0.00 -1.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 2jra s ALA 22 CO 0.00 0.43 0.41 -0.98 0.00 0.00 0.00 175.76 175.61 2jra s ARG 23 N -0.27 1.42 -0.28 0.00 1.70 -1.26 -5.14 118.95 115.12 2jra s ARG 23 Ca 0.02 -1.24 -0.01 0.00 -0.47 0.00 0.00 55.73 54.02 2jra s ARG 23 Cb -0.13 0.44 0.04 0.00 -0.57 0.00 0.00 34.95 34.73 2jra s ARG 23 CO 0.03 -0.57 -0.03 0.00 -1.08 0.00 0.00 175.30 173.65 2jra s ALA 24 N -4.01 2.75 0.02 7.88 0.00 -1.26 -5.10 121.76 122.03 2jra s ALA 24 Ca 0.22 -1.66 -0.07 0.00 0.00 0.00 0.00 51.96 50.45 2jra s ALA 24 Cb 0.01 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 21.26 2jra s ALA 24 CO 0.07 -1.11 0.29 0.14 0.00 0.00 0.00 175.76 175.14 2jra s VAL 25 N 1.26 5.27 0.20 0.00 -7.23 -1.26 -5.10 120.40 113.53 2jra s VAL 25 Ca -0.04 0.22 0.05 0.00 -1.81 0.00 0.00 61.98 60.40 2jra s VAL 25 Cb -0.19 -3.58 -0.04 0.00 0.56 0.00 0.00 36.38 33.14 2jra s VAL 25 CO -0.03 0.36 0.21 -0.44 -0.31 0.00 0.00 175.10 174.89 2jra s SER 26 N -1.69 5.76 -0.16 4.85 0.01 -1.26 -5.11 113.70 116.11 2jra s SER 26 Ca 0.28 -0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.46 2jra s SER 26 Cb -0.13 -1.56 0.01 0.00 0.21 0.00 0.00 66.02 64.54 2jra s SER 26 CO 0.16 0.02 -0.19 -0.63 0.41 0.00 0.00 173.24 173.01 2jra s ILE 27 N -1.89 2.30 -0.51 1.44 1.09 -1.26 -4.70 121.20 117.67 2jra s ILE 27 Ca 0.32 -0.89 -0.14 0.00 -1.10 0.00 0.00 60.65 58.84 2jra s ILE 27 Cb -0.09 -1.95 0.12 0.00 -1.06 0.00 0.00 42.46 39.47 2jra s ILE 27 CO 0.25 0.53 0.45 0.68 -0.10 0.00 0.00 174.94 176.75 2jra s VAL 28 N 0.95 4.99 0.00 2.92 -7.23 0.10 -4.77 120.40 117.36 2jra s VAL 28 Ca -0.03 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 2jra s VAL 28 Cb -0.15 -4.17 0.00 0.00 0.56 0.00 0.00 36.38 32.62 2jra s VAL 28 CO -0.04 -0.79 0.00 0.61 -0.31 0.00 0.00 175.10 174.57 2jra n GLY 29 N 5.17 2.28 0.49 2.32 0.00 -1.26 -1.38 105.19 112.81 2jra n GLY 29 Ca -0.12 -0.00 -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 4.25 -0.06 -4.69 1.61 6.94 -1.26 -5.15 115.26 116.91 2jra n ASN 30 Ca 0.00 -0.98 -0.23 0.00 -0.02 0.00 0.00 54.58 53.35 2jra n ASN 30 Cb 0.00 0.02 -0.07 0.00 -2.36 0.00 0.00 39.78 37.37 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 2.45 -0.02 -3.83 0.74 -0.48 -5.12 119.66 113.41 2jra s GLN 31 Ca 0.00 -1.28 -0.25 0.00 0.05 0.00 0.00 55.36 53.88 2jra s GLN 31 Cb 0.00 -2.28 0.05 0.00 1.10 0.00 0.00 33.01 31.88 2jra s GLN 31 CO 0.00 0.39 0.54 -1.50 -0.55 0.00 0.00 175.29 174.17 2jra s ILE 32 N -2.18 0.02 -0.25 -2.34 2.07 -1.26 -0.72 121.20 116.54 2jra s ILE 32 Ca 0.31 -0.18 -0.14 0.00 -1.41 0.00 0.00 60.65 59.23 2jra s ILE 32 Cb -0.07 -0.88 -0.04 0.00 0.13 0.00 0.00 42.46 41.59 2jra s ILE 32 CO 0.21 -0.10 0.31 -0.62 -1.91 0.00 0.00 174.94 172.83 2jra s ASP 33 N -1.37 6.23 0.34 4.50 -1.08 -1.26 -4.98 116.67 119.04 2jra s ASP 33 Ca -0.11 0.26 0.08 0.00 -0.52 0.00 0.00 52.55 52.27 2jra s ASP 33 Cb -0.02 -2.18 0.80 0.00 -1.46 0.00 0.00 42.92 40.07 2jra s ASP 33 CO 0.06 -0.09 1.82 -1.28 0.52 0.00 0.00 175.17 176.20 2jra h SER 34 N 7.89 0.70 -0.62 -0.34 0.87 -2.01 -1.21 113.55 118.83 2jra h SER 34 Ca -0.34 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 2jra h SER 34 Cb 1.17 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 63.03 2jra h SER 34 CO 0.65 0.30 0.37 -0.09 -0.53 0.00 0.00 176.83 177.52 2jra h ARG 35 N 0.71 0.87 -0.13 2.24 1.12 -1.96 -0.53 114.38 116.70 2jra h ARG 35 Ca 0.52 -0.08 -0.02 0.00 -1.11 0.00 0.00 59.98 59.29 2jra h ARG 35 Cb 0.86 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 30.63 2jra h ARG 35 CO -0.28 0.62 0.01 0.93 -3.11 0.00 0.00 179.97 178.13 2jra h GLU 36 N 0.88 0.18 0.08 0.20 4.39 -1.64 0.29 114.58 118.96 2jra h GLU 36 Ca 0.23 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 2jra h GLU 36 Cb -0.01 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2jra h GLU 36 CO -0.04 0.19 -0.04 -0.07 -1.16 0.00 0.00 179.01 177.89 2jra h LEU 37 N 0.18 -0.09 0.00 1.33 3.38 -1.17 -3.34 115.31 115.59 2jra h LEU 37 Ca 0.04 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2jra h LEU 37 Cb 0.12 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2jra h LEU 37 CO 0.00 0.57 0.00 0.49 0.09 0.00 0.00 178.44 179.59 2jra n PHE 38 N -4.81 0.00 0.74 1.13 3.72 -0.49 -2.07 117.46 115.68 2jra n PHE 38 Ca -0.07 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.46 2jra n PHE 38 Cb 0.27 -0.03 0.48 0.00 -0.94 0.00 0.00 39.48 39.26 2jra n PHE 38 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 2jra n THR 39 N -1.03 0.42 -0.01 4.37 5.66 0.99 -3.33 114.28 121.36 2jra n THR 39 Ca 0.21 -0.13 -0.10 0.00 -3.05 0.00 0.00 64.05 60.98 2jra n THR 39 Cb 0.11 -0.61 -0.08 0.00 -1.55 0.00 0.00 70.33 68.20 2jra n THR 39 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2jra h VAL 40 N 0.00 1.08 -3.15 1.08 2.07 -1.61 -3.48 116.25 112.24 2jra h VAL 40 Ca 0.00 -1.54 0.01 0.00 0.82 0.00 0.00 66.70 65.99 2jra h VAL 40 Cb 0.61 1.94 -0.09 0.00 -1.52 0.00 0.00 31.29 32.23 2jra h VAL 40 CO 0.00 0.33 0.13 -0.62 0.02 0.00 0.00 177.57 177.43 2jra s ASP 41 N -5.77 -0.31 0.00 0.57 2.15 -1.21 -4.52 116.67 107.58 2jra s ASP 41 Ca -0.13 -0.46 0.08 0.00 0.43 0.00 0.00 52.55 52.47 2jra s ASP 41 Cb -0.01 0.64 0.41 0.00 -0.30 0.00 0.00 42.92 43.66 2jra s ASP 41 CO 0.49 -1.15 1.06 -1.14 -0.17 0.00 0.00 175.17 174.25 2jra n ARG 42 N -0.40 0.15 -4.13 4.34 0.63 -1.25 -4.42 116.66 111.58 2jra n ARG 42 Ca -0.09 0.15 -0.17 0.00 -0.92 0.00 0.00 57.85 56.82 2jra n ARG 42 Cb 0.62 -1.50 -0.15 0.00 0.45 0.00 0.00 32.46 31.87 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 -2.41 0.54 -0.06 -0.14 2.12 -1.26 -2.81 118.70 114.67 2jra s GLU 43 Ca 0.09 -0.12 0.05 0.00 0.36 0.00 0.00 54.97 55.35 2jra s GLU 43 Cb 0.05 -0.57 -0.01 0.00 0.26 0.00 0.00 34.13 33.86 2jra s GLU 43 CO 0.11 0.01 -0.22 0.42 -0.54 0.00 0.00 175.26 175.04 2jra s ILE 44 N 0.41 2.34 -0.09 -3.70 -1.09 0.75 -5.01 121.20 114.81 2jra s ILE 44 Ca -0.05 -0.96 -0.05 0.00 -2.23 0.00 0.00 60.65 57.36 2jra s ILE 44 Cb -0.08 -1.88 -0.04 0.00 -1.58 0.00 0.00 42.46 38.88 2jra s ILE 44 CO -0.00 0.57 0.10 -0.69 -1.23 0.00 0.00 174.94 173.68 2jra s VAL 45 N -0.21 5.09 -0.24 2.92 1.01 -1.26 0.45 120.40 128.16 2jra s VAL 45 Ca -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 2jra s VAL 45 Cb -0.13 -3.22 0.07 0.00 0.00 0.00 0.00 36.38 33.10 2jra s VAL 45 CO 0.03 0.57 0.04 -0.63 0.00 0.00 0.00 175.10 175.11 2jra s ILE 46 N -1.02 0.80 0.07 2.22 1.01 0.35 -4.92 121.20 119.71 2jra s ILE 46 Ca 0.16 -0.95 -0.27 0.00 0.00 0.00 0.00 60.65 59.60 2jra s ILE 46 Cb -0.12 -1.37 -0.06 0.00 0.01 0.00 0.00 42.46 40.93 2jra s ILE 46 CO 0.05 -0.35 0.84 0.00 0.00 0.00 0.00 174.94 175.48 2jra s ALA 47 N 1.70 3.33 -0.32 9.38 0.00 -1.26 -0.17 121.76 134.42 2jra s ALA 47 Ca 0.02 0.39 -0.00 0.00 0.00 0.00 0.00 51.96 52.37 2jra s ALA 47 Cb -0.17 -3.10 0.13 0.00 0.00 0.00 0.00 23.12 19.98 2jra s ALA 47 CO -0.14 0.04 0.27 -1.58 0.00 0.00 0.00 175.76 174.35 2jra s HIS 48 N -0.06 -0.06 0.00 0.00 5.04 -0.89 -4.97 115.29 114.36 2jra s HIS 48 Ca 0.41 -0.75 0.00 0.00 -1.54 0.00 0.00 55.06 53.19 2jra s HIS 48 Cb -0.22 -0.61 0.00 0.00 0.04 0.00 0.00 32.58 31.79 2jra s HIS 48 CO 0.25 -0.90 0.00 0.41 -2.34 0.00 0.00 174.74 172.16 2jra n GLY 49 N 4.78 1.60 0.01 1.59 0.00 -1.26 -3.13 105.19 108.79 2jra n GLY 49 Ca 0.03 -0.36 0.07 0.00 0.00 0.00 0.00 46.02 45.76 2jra n GLY 49 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jra n ASP 50 N 8.10 1.69 -4.99 1.61 5.75 -1.26 -5.03 116.55 122.42 2jra n ASP 50 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.60 2jra n ASP 50 Cb 0.00 1.65 -0.00 0.00 -1.03 0.00 0.00 41.12 41.73 2jra n ASP 50 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2jra s ASP 51 N -3.69 5.84 -0.09 -1.12 2.15 -1.18 -5.11 116.67 113.46 2jra s ASP 51 Ca -0.05 -0.28 0.01 0.00 0.43 0.00 0.00 52.55 52.65 2jra s ASP 51 Cb 0.09 -1.04 0.02 0.00 -0.30 0.00 0.00 42.92 41.69 2jra s ASP 51 CO 0.60 -0.53 -0.09 -0.13 -0.17 0.00 0.00 175.17 174.85 2jra s ARG 52 N -4.22 1.50 0.36 4.34 1.81 -1.26 -2.10 118.95 119.38 2jra s ARG 52 Ca 0.48 -0.28 0.07 0.00 -1.72 0.00 0.00 55.73 54.28 2jra s ARG 52 Cb -0.09 -1.46 -0.02 0.00 -0.45 0.00 0.00 34.95 32.93 2jra s ARG 52 CO 0.31 -0.16 0.38 0.71 -0.68 0.00 0.00 175.30 175.86 2jra s TYR 53 N 1.32 2.91 -0.15 -0.53 1.51 0.77 -4.85 117.35 118.33 2jra s TYR 53 Ca -0.02 -0.32 -0.02 0.00 -1.01 0.00 0.00 57.07 55.69 2jra s TYR 53 Cb -0.14 -1.97 0.05 0.00 -0.11 0.00 0.00 41.96 39.80 2jra s TYR 53 CO -0.04 0.03 0.02 1.03 -1.11 0.00 0.00 175.55 175.48 2jra s ARG 54 N -4.10 0.70 -0.31 -0.62 0.52 0.16 -0.50 118.95 114.81 2jra s ARG 54 Ca 0.44 -0.25 -0.17 0.00 -0.52 0.00 0.00 55.73 55.23 2jra s ARG 54 Cb -0.07 -1.73 -0.02 0.00 0.52 0.00 0.00 34.95 33.65 2jra s ARG 54 CO 0.29 -0.51 0.47 -1.17 0.02 0.00 0.00 175.30 174.39 2jra s LEU 55 N 1.88 4.20 0.06 2.53 2.96 0.17 -0.68 118.68 129.81 2jra s LEU 55 Ca 0.01 0.18 0.07 0.00 -0.22 0.00 0.00 54.13 54.17 2jra s LEU 55 Cb -0.15 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.96 2jra s LEU 55 CO -0.07 -0.35 -0.18 -0.60 -1.32 0.00 0.00 176.35 173.82 2jra s ARG 56 N 2.27 1.15 -0.12 1.98 3.52 -0.65 -0.18 118.95 126.92 2jra s ARG 56 Ca 0.18 -0.95 -0.05 0.00 -0.13 0.00 0.00 55.73 54.78 2jra s ARG 56 Cb -0.16 -1.27 -0.04 0.00 -1.56 0.00 0.00 34.95 31.93 2jra s ARG 56 CO 0.11 0.31 0.07 -1.17 -0.81 0.00 0.00 175.30 173.82 2jra s LEU 57 N -1.40 3.98 0.00 -0.88 0.20 -1.12 -1.31 118.68 118.14 2jra s LEU 57 Ca 0.05 0.27 -0.05 0.00 0.69 0.00 0.00 54.13 55.09 2jra s LEU 57 Cb -0.09 -1.96 0.15 0.00 -0.43 0.00 0.00 46.19 43.86 2jra s LEU 57 CO 0.02 0.35 0.95 0.35 -0.29 0.00 0.00 176.35 177.73 2jra n THR 58 N 2.36 0.00 -1.70 3.68 -2.24 0.03 -4.91 114.28 111.50 2jra n THR 58 Ca -0.19 -1.16 -0.25 0.00 -2.27 0.00 0.00 64.05 60.18 2jra n THR 58 Cb 0.54 -1.18 -0.09 0.00 -2.10 0.00 0.00 70.33 67.50 2jra n THR 58 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jra n SER 59 N -3.20 2.18 -0.99 3.42 7.64 -1.26 -3.82 113.62 117.59 2jra n SER 59 Ca 0.14 -2.60 -0.13 0.00 1.01 0.00 0.00 58.87 57.29 2jra n SER 59 Cb 0.50 -1.61 -0.06 0.00 -1.01 0.00 0.00 64.21 62.03 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 8.11 -1.52 -0.02 1.43 7.27 -1.26 -4.83 117.38 126.56 2jra n GLN 60 Ca 0.44 0.94 -0.02 0.00 0.07 0.00 0.00 57.00 58.43 2jra n GLN 60 Cb 0.46 -5.28 -0.01 0.00 2.41 0.00 0.00 30.24 27.82 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 -1.06 0.42 -0.78 1.69 5.15 -1.25 -5.12 115.26 114.31 2jra n ASN 61 Ca -0.13 0.13 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2jra n ASN 61 Cb 0.58 -0.56 0.00 0.00 -0.53 0.00 0.00 39.78 39.27 2jra n ASN 61 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2jra n LYS 62 N -2.90 0.00 -4.31 1.20 -0.00 -1.26 -5.02 118.16 105.88 2jra n LYS 62 Ca -0.03 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.10 2jra n LYS 62 Cb 0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.03 2jra n LYS 62 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 2jra s LEU 63 N 0.00 2.50 0.21 -5.58 2.34 -1.26 -0.79 118.68 116.09 2jra s LEU 63 Ca 0.00 -0.94 -0.06 0.00 0.06 0.00 0.00 54.13 53.19 2jra s LEU 63 Cb 0.00 -0.63 -0.03 0.00 -0.56 0.00 0.00 46.19 44.98 2jra s LEU 63 CO 0.00 -0.16 0.26 0.27 -1.06 0.00 0.00 176.35 175.65 2jra s ILE 64 N -2.67 0.01 -0.03 1.48 -5.25 -0.43 -5.00 121.20 109.32 2jra s ILE 64 Ca 0.17 -1.74 0.03 0.00 -0.99 0.00 0.00 60.65 58.13 2jra s ILE 64 Cb -0.02 -2.31 -0.03 0.00 2.95 0.00 0.00 42.46 43.05 2jra s ILE 64 CO 0.05 -0.06 -0.10 -0.22 -1.79 0.00 0.00 174.94 172.82 2jra s LEU 65 N -3.09 2.97 0.27 0.37 1.98 -1.26 -1.64 118.68 118.27 2jra s LEU 65 Ca 0.30 -0.15 -0.19 0.00 -2.89 0.00 0.00 54.13 51.20 2jra s LEU 65 Cb 0.04 -1.66 0.07 0.00 0.66 0.00 0.00 46.19 45.30 2jra s LEU 65 CO 0.09 0.32 0.94 0.28 -1.89 0.00 0.00 176.35 176.10 2jra s THR 66 N -0.85 0.00 0.00 3.68 -1.32 0.15 -5.00 115.64 112.30 2jra s THR 66 Ca 0.14 -0.75 0.00 0.00 -1.21 0.00 0.00 61.69 59.87 2jra s THR 66 Cb -0.11 -2.93 0.00 0.00 -1.51 0.00 0.00 72.50 67.95 2jra s THR 66 CO 0.03 0.00 0.00 2.29 -2.21 0.00 0.00 174.62 174.73