#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 1.55 -0.55 3.17 1.75 -1.26 -4.82 119.30 119.14 2jra s MET 2 Ca 0.00 -0.34 -0.01 0.00 -1.25 0.00 0.00 55.69 54.09 2jra s MET 2 Cb 0.00 -4.98 0.14 0.00 2.84 0.00 0.00 34.83 32.83 2jra s MET 2 CO 0.00 -4.93 0.33 0.99 -0.65 0.00 0.00 175.02 170.77 2jra s THR 3 N 15.23 3.29 -0.32 10.11 2.01 -1.26 -5.01 115.64 139.70 2jra s THR 3 Ca 0.81 -2.85 0.04 0.00 0.31 0.00 0.00 61.69 60.00 2jra s THR 3 Cb -0.06 -3.21 0.17 0.00 0.01 0.00 0.00 72.50 69.41 2jra s THR 3 CO 0.14 -0.81 0.47 0.00 -0.69 0.00 0.00 174.62 173.73 2jra s ALA 4 N 0.15 -1.48 -0.40 7.40 0.00 -1.26 -5.09 121.76 121.08 2jra s ALA 4 Ca 0.15 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.32 2jra s ALA 4 Cb -0.22 -2.26 0.12 0.00 0.00 0.00 0.00 23.12 20.76 2jra s ALA 4 CO -0.03 -1.90 0.16 -1.12 0.00 0.00 0.00 175.76 172.87 2jra s SER 5 N 2.33 4.21 0.28 0.00 0.01 -1.26 -5.11 113.70 114.16 2jra s SER 5 Ca 0.12 -2.37 -0.21 0.00 1.31 0.00 0.00 55.95 54.80 2jra s SER 5 Cb -0.11 -1.31 -0.09 0.00 0.21 0.00 0.00 66.02 64.72 2jra s SER 5 CO -0.22 -0.32 0.81 1.51 0.41 0.00 0.00 173.24 175.43 2jra s ASP 6 N 0.63 7.09 0.03 2.44 -4.77 -1.26 -5.08 116.67 115.76 2jra s ASP 6 Ca 0.14 1.55 -0.15 0.00 -3.30 0.00 0.00 52.55 50.79 2jra s ASP 6 Cb -0.22 -2.47 0.02 0.00 -1.09 0.00 0.00 42.92 39.17 2jra s ASP 6 CO -0.08 -0.06 0.34 0.00 0.70 0.00 0.00 175.17 176.06 2jra s ARG 7 N -2.24 0.82 -0.11 2.11 3.03 -1.26 -5.16 118.95 116.14 2jra s ARG 7 Ca 0.48 -0.42 -0.00 0.00 2.03 0.00 0.00 55.73 57.82 2jra s ARG 7 Cb -0.16 0.36 0.02 0.00 -1.03 0.00 0.00 34.95 34.15 2jra s ARG 7 CO 0.21 -0.26 -0.08 -0.51 -1.13 0.00 0.00 175.30 173.53 2jra s LEU 8 N -1.93 1.20 0.00 -1.89 1.43 -1.26 -4.98 118.68 111.25 2jra s LEU 8 Ca -0.06 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 2jra s LEU 8 Cb -0.01 -0.82 0.00 0.00 0.03 0.00 0.00 46.19 45.39 2jra s LEU 8 CO -0.02 -0.11 0.20 0.61 0.23 0.00 0.00 176.35 177.27 2jra n GLY 9 N 4.85 -0.02 2.93 -3.19 0.00 -1.26 -4.89 105.19 103.62 2jra n GLY 9 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.24 5.33 -1.75 4.61 0.00 -1.26 -5.01 120.51 122.18 2jra n ALA 10 Ca 0.00 -4.65 -0.40 0.00 0.00 0.00 0.00 53.44 48.38 2jra n ALA 10 Cb 0.05 -2.52 -0.05 0.00 0.00 0.00 0.00 19.45 16.94 2jra n ALA 10 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2jra s ASP 11 N -1.05 7.45 -0.58 0.00 -4.77 -1.26 -4.96 116.67 111.50 2jra s ASP 11 Ca 0.34 2.11 -0.27 0.00 -3.30 0.00 0.00 52.55 51.43 2jra s ASP 11 Cb 0.07 -2.62 -0.01 0.00 -1.09 0.00 0.00 42.92 39.27 2jra s ASP 11 CO 0.07 0.01 1.75 -2.84 0.70 0.00 0.00 175.17 174.85 2jra s PRO 12 N -1.32 2.84 -1.20 2.11 0.02 -1.26 -4.91 135.00 131.28 2jra s PRO 12 Ca 0.43 0.62 -0.12 0.00 0.02 0.00 0.00 61.00 61.94 2jra s PRO 12 Cb -0.29 -4.32 0.19 0.00 0.02 0.00 0.00 34.50 30.11 2jra s PRO 12 CO 0.36 -2.49 1.40 0.25 -0.33 0.00 0.00 177.00 176.20 2jra n THR 13 N 7.13 4.33 -1.06 0.99 -2.24 -1.26 -4.75 114.28 117.42 2jra n THR 13 Ca 0.18 -4.86 0.05 0.00 -2.27 0.00 0.00 64.05 57.16 2jra n THR 13 Cb 0.51 -2.48 0.27 0.00 -2.10 0.00 0.00 70.33 66.53 2jra n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jra n GLN 14 N 4.93 3.03 -2.26 -0.78 1.13 -1.26 -4.92 117.38 117.25 2jra n GLN 14 Ca 0.34 -2.95 -0.33 0.00 -1.94 0.00 0.00 57.00 52.13 2jra n GLN 14 Cb 0.42 -1.92 -0.04 0.00 0.11 0.00 0.00 30.24 28.80 2jra n GLN 14 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jra s ALA 15 N -2.90 2.11 -0.58 -1.58 0.00 -1.26 -4.93 121.76 112.61 2jra s ALA 15 Ca 0.45 -1.77 -0.22 0.00 0.00 0.00 0.00 51.96 50.42 2jra s ALA 15 Cb 0.37 -4.53 0.06 0.00 0.00 0.00 0.00 23.12 19.02 2jra s ALA 15 CO 0.09 -4.29 0.88 0.00 0.00 0.00 0.00 175.76 172.44 2jra s ALA 16 N 7.97 3.20 -0.36 0.00 0.00 -1.26 -4.99 121.76 126.31 2jra s ALA 16 Ca 0.60 -1.61 -0.27 0.00 0.00 0.00 0.00 51.96 50.67 2jra s ALA 16 Cb -0.04 -3.70 -0.05 0.00 0.00 0.00 0.00 23.12 19.33 2jra s ALA 16 CO -0.03 -2.46 2.19 -1.12 0.00 0.00 0.00 175.76 174.34 2jra s SER 17 N 3.17 5.15 -0.28 0.00 0.01 -1.26 -4.93 113.70 115.56 2jra s SER 17 Ca 0.23 1.39 -0.29 0.00 1.31 0.00 0.00 55.95 58.60 2jra s SER 17 Cb -0.16 -2.51 0.01 0.00 0.21 0.00 0.00 66.02 63.57 2jra s SER 17 CO 0.14 -2.28 1.10 -0.44 0.41 0.00 0.00 173.24 172.17 2jra s SER 18 N 9.32 6.96 0.34 2.44 0.01 -1.26 -5.01 113.70 126.50 2jra s SER 18 Ca 0.94 1.22 -0.28 0.00 1.31 0.00 0.00 55.95 59.14 2jra s SER 18 Cb -0.24 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.35 2jra s SER 18 CO 0.30 -0.82 1.19 -2.16 0.41 0.00 0.00 173.24 172.16 2jra s PRO 19 N 3.55 4.36 -0.31 12.44 0.04 -1.26 -4.97 135.00 148.84 2jra s PRO 19 Ca 0.47 1.96 0.17 0.00 0.04 0.00 0.00 61.00 63.64 2jra s PRO 19 Cb -0.14 -2.98 0.47 0.00 0.04 0.00 0.00 34.50 31.89 2jra s PRO 19 CO 0.13 -0.09 1.05 0.41 0.04 0.00 0.00 177.00 178.53 2jra n GLY 20 N 0.87 2.54 0.00 0.56 0.00 -1.26 -4.75 105.19 103.15 2jra n GLY 20 Ca 0.01 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.35 1.18 3.67 -0.02 0.00 -1.26 -5.03 105.19 103.37 2jra n GLY 21 Ca 0.15 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.29 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 -3.72 3.60 -0.02 4.61 0.00 -1.26 -5.07 121.76 119.90 2jra s ALA 22 Ca 0.00 -0.73 0.06 0.00 0.00 0.00 0.00 51.96 51.29 2jra s ALA 22 Cb 0.00 -2.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.68 2jra s ALA 22 CO 0.00 -0.20 -0.19 -0.98 0.00 0.00 0.00 175.76 174.39 2jra s ARG 23 N 1.08 1.55 -0.27 0.00 1.70 -1.26 -5.12 118.95 116.63 2jra s ARG 23 Ca 0.12 -0.68 -0.12 0.00 -0.47 0.00 0.00 55.73 54.58 2jra s ARG 23 Cb -0.14 -1.50 -0.05 0.00 -0.57 0.00 0.00 34.95 32.70 2jra s ARG 23 CO 0.05 0.40 0.24 0.00 -1.08 0.00 0.00 175.30 174.91 2jra s ALA 24 N -0.43 3.54 -0.08 7.88 0.00 -1.26 -5.08 121.76 126.34 2jra s ALA 24 Ca 0.07 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.06 2jra s ALA 24 Cb -0.07 -2.53 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 2jra s ALA 24 CO -0.01 -0.54 -0.18 0.14 0.00 0.00 0.00 175.76 175.17 2jra s VAL 25 N 1.77 2.66 0.22 0.00 -7.23 -1.26 -5.12 120.40 111.44 2jra s VAL 25 Ca 0.09 -0.84 -0.01 0.00 -1.81 0.00 0.00 61.98 59.42 2jra s VAL 25 Cb -0.16 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 2jra s VAL 25 CO 0.10 0.56 0.41 -0.44 -0.31 0.00 0.00 175.10 175.43 2jra s SER 26 N -0.17 6.38 -0.14 4.85 0.01 -1.26 -5.10 113.70 118.27 2jra s SER 26 Ca -0.02 0.41 0.02 0.00 1.31 0.00 0.00 55.95 57.67 2jra s SER 26 Cb -0.14 -2.01 0.01 0.00 0.21 0.00 0.00 66.02 64.09 2jra s SER 26 CO 0.03 -0.08 -0.21 -0.63 0.41 0.00 0.00 173.24 172.77 2jra s ILE 27 N -1.93 1.99 -0.56 1.44 -1.09 -1.26 -4.69 121.20 115.10 2jra s ILE 27 Ca 0.39 -0.93 -0.14 0.00 -2.23 0.00 0.00 60.65 57.74 2jra s ILE 27 Cb -0.11 -1.77 0.14 0.00 -1.58 0.00 0.00 42.46 39.14 2jra s ILE 27 CO 0.30 0.53 0.49 0.68 -1.23 0.00 0.00 174.94 175.71 2jra s VAL 28 N 0.92 4.99 0.00 2.92 -7.23 -0.78 -4.72 120.40 116.50 2jra s VAL 28 Ca -0.05 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 2jra s VAL 28 Cb -0.15 -4.20 0.00 0.00 0.56 0.00 0.00 36.38 32.59 2jra s VAL 28 CO -0.04 -0.87 0.00 0.61 -0.31 0.00 0.00 175.10 174.50 2jra n GLY 29 N 4.99 2.12 0.34 2.32 0.00 -1.26 -1.94 105.19 111.76 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 3.94 0.00 -4.17 1.61 6.94 -1.26 -5.13 115.26 117.18 2jra n ASN 30 Ca 0.00 -0.76 -0.33 0.00 -0.02 0.00 0.00 54.58 53.48 2jra n ASN 30 Cb 0.00 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.26 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 3.05 0.25 -3.83 0.74 -0.82 -5.10 119.66 113.95 2jra s GLN 31 Ca 0.00 -0.82 0.09 0.00 0.05 0.00 0.00 55.36 54.68 2jra s GLN 31 Cb 0.00 -2.55 -0.04 0.00 1.10 0.00 0.00 33.01 31.52 2jra s GLN 31 CO 0.00 -0.10 -0.02 -1.50 -0.55 0.00 0.00 175.29 173.13 2jra s ILE 32 N 1.04 3.45 -0.04 -2.34 2.07 -1.26 -1.86 121.20 122.25 2jra s ILE 32 Ca -0.01 -1.83 -0.06 0.00 -1.41 0.00 0.00 60.65 57.34 2jra s ILE 32 Cb -0.14 -2.81 -0.04 0.00 0.13 0.00 0.00 42.46 39.59 2jra s ILE 32 CO -0.06 -0.32 0.20 -0.62 -1.91 0.00 0.00 174.94 172.23 2jra s ASP 33 N -3.50 6.43 0.57 4.50 -1.08 -1.26 -4.99 116.67 117.34 2jra s ASP 33 Ca 0.30 0.48 0.28 0.00 -0.52 0.00 0.00 52.55 53.09 2jra s ASP 33 Cb -0.07 -2.06 1.68 0.00 -1.46 0.00 0.00 42.92 41.01 2jra s ASP 33 CO 0.19 0.31 2.20 0.77 0.52 0.00 0.00 175.17 179.17 2jra h SER 34 N 4.31 0.00 -0.34 -0.34 4.64 -2.01 -2.18 113.55 117.63 2jra h SER 34 Ca -0.51 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.69 2jra h SER 34 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 2jra h SER 34 CO 0.64 0.03 -0.18 -0.09 -0.87 0.00 0.00 176.83 176.36 2jra h ARG 35 N 0.00 0.82 -0.75 4.77 1.12 -1.94 -0.51 114.38 117.89 2jra h ARG 35 Ca -0.00 -0.31 0.05 0.00 -1.11 0.00 0.00 59.98 58.60 2jra h ARG 35 Cb 0.08 -0.05 -0.05 0.00 -0.01 0.00 0.00 29.97 29.94 2jra h ARG 35 CO 0.00 0.94 0.46 0.93 -3.11 0.00 0.00 179.97 179.19 2jra h GLU 36 N 0.72 0.84 0.06 0.20 4.39 -1.81 0.47 114.58 119.46 2jra h GLU 36 Ca 0.11 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 2jra h GLU 36 Cb 0.70 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2jra h GLU 36 CO 0.05 0.56 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.36 2jra h LEU 37 N 0.87 -0.07 -3.74 1.33 3.38 -1.60 -3.34 115.31 112.13 2jra h LEU 37 Ca 0.32 -0.56 -0.44 0.00 0.09 0.00 0.00 57.88 57.28 2jra h LEU 37 Cb 0.11 0.02 -0.26 0.00 0.09 0.00 0.00 40.66 40.61 2jra h LEU 37 CO -0.15 0.60 0.56 0.49 0.09 0.00 0.00 178.44 180.03 2jra n PHE 38 N -4.80 2.68 -0.09 1.13 3.72 -0.22 -4.45 117.46 115.42 2jra n PHE 38 Ca -0.08 -1.65 -0.10 0.00 -0.05 0.00 0.00 57.45 55.57 2jra n PHE 38 Cb 0.31 -0.85 -0.02 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 1.16 -2.46 4.37 1.03 -0.18 -3.36 112.91 114.41 2jra h THR 39 Ca 0.55 -0.45 -0.59 0.00 -0.01 0.00 0.00 66.41 65.91 2jra h THR 39 Cb 2.62 0.90 -0.39 0.00 -1.07 0.00 0.00 68.15 70.21 2jra h THR 39 CO 0.96 0.16 -0.92 0.68 -0.01 0.00 0.00 175.52 176.38 2jra s VAL 40 N -5.70 0.63 0.00 0.00 -7.23 -1.26 -5.08 120.40 101.76 2jra s VAL 40 Ca -0.13 -2.80 0.00 0.00 -1.81 0.00 0.00 61.98 57.23 2jra s VAL 40 Cb 0.09 -1.45 0.00 0.00 0.56 0.00 0.00 36.38 35.58 2jra s VAL 40 CO 0.72 -1.20 0.00 -0.67 -0.31 0.00 0.00 175.10 173.65 2jra n ASP 41 N 2.79 0.00 0.00 4.85 -0.08 -1.26 -4.70 116.55 118.15 2jra n ASP 41 Ca 0.28 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 2jra n ASP 41 Cb 0.46 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.92 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 -0.92 0.09 -3.76 -0.67 3.00 -1.26 -4.72 116.66 108.42 2jra n ARG 42 Ca 0.00 -0.09 -0.13 0.00 -0.00 0.00 0.00 57.85 57.63 2jra n ARG 42 Cb 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 32.46 31.81 2jra n ARG 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2jra s GLU 43 N -0.04 0.22 -0.02 -0.14 2.12 -1.26 -2.00 118.70 117.58 2jra s GLU 43 Ca 0.00 0.41 0.08 0.00 0.36 0.00 0.00 54.97 55.82 2jra s GLU 43 Cb 0.00 -0.00 -0.02 0.00 0.26 0.00 0.00 34.13 34.37 2jra s GLU 43 CO 0.00 -0.10 -0.26 0.42 -0.54 0.00 0.00 175.26 174.78 2jra s ILE 44 N 0.68 2.04 -0.06 -3.70 -1.09 0.80 -5.01 121.20 114.87 2jra s ILE 44 Ca -0.05 -1.11 -0.04 0.00 -2.23 0.00 0.00 60.65 57.23 2jra s ILE 44 Cb -0.06 -1.69 -0.04 0.00 -1.58 0.00 0.00 42.46 39.09 2jra s ILE 44 CO -0.04 0.58 0.16 -0.69 -1.23 0.00 0.00 174.94 173.71 2jra s VAL 45 N -0.61 5.40 -0.25 2.92 1.01 -1.26 0.42 120.40 128.03 2jra s VAL 45 Ca 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 2jra s VAL 45 Cb -0.10 -3.45 0.08 0.00 0.00 0.00 0.00 36.38 32.91 2jra s VAL 45 CO -0.01 0.45 0.05 -0.63 0.00 0.00 0.00 175.10 174.96 2jra s ILE 46 N -1.19 0.86 0.12 2.22 1.01 0.53 -4.88 121.20 119.87 2jra s ILE 46 Ca 0.22 -1.05 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 2jra s ILE 46 Cb -0.12 -1.45 -0.06 0.00 0.01 0.00 0.00 42.46 40.83 2jra s ILE 46 CO 0.12 -0.40 0.91 0.00 0.00 0.00 0.00 174.94 175.57 2jra s ALA 47 N 1.67 3.29 -0.32 9.38 0.00 -1.26 -0.40 121.76 134.12 2jra s ALA 47 Ca 0.03 0.52 -0.01 0.00 0.00 0.00 0.00 51.96 52.50 2jra s ALA 47 Cb -0.17 -3.20 0.13 0.00 0.00 0.00 0.00 23.12 19.87 2jra s ALA 47 CO -0.15 0.04 0.23 -1.58 0.00 0.00 0.00 175.76 174.30 2jra s HIS 48 N -0.24 0.15 0.00 0.00 5.04 -0.78 -4.95 115.29 114.51 2jra s HIS 48 Ca 0.44 -0.91 0.00 0.00 -1.54 0.00 0.00 55.06 53.05 2jra s HIS 48 Cb -0.23 -0.72 0.00 0.00 0.04 0.00 0.00 32.58 31.67 2jra s HIS 48 CO 0.29 -0.87 0.00 0.41 -2.34 0.00 0.00 174.74 172.22 2jra n GLY 49 N 4.78 2.45 0.10 1.59 0.00 -1.26 -2.62 105.19 110.22 2jra n GLY 49 Ca 0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 46.02 45.71 2jra n GLY 49 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jra h ASP 50 N 0.00 0.00 -1.81 1.61 3.32 -2.03 -3.48 116.42 114.04 2jra h ASP 50 Ca 0.00 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.61 2jra h ASP 50 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 2jra h ASP 50 CO 0.00 0.60 -0.31 -0.62 -1.72 0.00 0.00 179.24 177.19 2jra s ASP 51 N -5.86 5.91 -0.05 6.45 2.15 -1.08 -5.12 116.67 119.07 2jra s ASP 51 Ca -0.02 -0.19 0.02 0.00 0.43 0.00 0.00 52.55 52.78 2jra s ASP 51 Cb 0.09 -1.15 0.01 0.00 -0.30 0.00 0.00 42.92 41.57 2jra s ASP 51 CO 0.81 -0.51 -0.09 -0.13 -0.17 0.00 0.00 175.17 175.08 2jra s ARG 52 N -4.23 1.31 0.44 4.34 0.52 -1.26 -1.86 118.95 118.21 2jra s ARG 52 Ca 0.47 -0.30 0.07 0.00 -0.52 0.00 0.00 55.73 55.45 2jra s ARG 52 Cb -0.10 -1.15 -0.03 0.00 0.52 0.00 0.00 34.95 34.20 2jra s ARG 52 CO 0.32 0.01 0.24 0.71 0.02 0.00 0.00 175.30 176.59 2jra s TYR 53 N 0.67 2.42 -0.02 -0.53 1.51 0.47 -4.84 117.35 117.02 2jra s TYR 53 Ca -0.12 -0.64 -0.00 0.00 -1.01 0.00 0.00 57.07 55.30 2jra s TYR 53 Cb -0.14 -1.97 0.03 0.00 -0.11 0.00 0.00 41.96 39.77 2jra s TYR 53 CO 0.02 0.03 0.03 1.03 -1.11 0.00 0.00 175.55 175.56 2jra s ARG 54 N -4.00 -0.03 -0.32 -0.62 0.52 0.12 -0.35 118.95 114.27 2jra s ARG 54 Ca 0.39 0.21 -0.11 0.00 -0.52 0.00 0.00 55.73 55.70 2jra s ARG 54 Cb 0.02 -0.30 -0.02 0.00 0.52 0.00 0.00 34.95 35.17 2jra s ARG 54 CO 0.22 -0.19 0.19 -1.17 0.02 0.00 0.00 175.30 174.37 2jra s LEU 55 N 1.24 4.28 0.04 2.53 2.96 0.17 -0.54 118.68 129.37 2jra s LEU 55 Ca -0.07 -0.44 0.08 0.00 -0.22 0.00 0.00 54.13 53.48 2jra s LEU 55 Cb -0.13 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 2jra s LEU 55 CO -0.03 -0.20 -0.23 -0.60 -1.32 0.00 0.00 176.35 173.97 2jra s ARG 56 N 1.67 1.53 -0.07 1.98 3.52 -0.54 -0.14 118.95 126.90 2jra s ARG 56 Ca 0.05 -1.00 0.01 0.00 -0.13 0.00 0.00 55.73 54.66 2jra s ARG 56 Cb -0.17 -1.67 -0.03 0.00 -1.56 0.00 0.00 34.95 31.52 2jra s ARG 56 CO 0.08 0.43 -0.06 -1.17 -0.81 0.00 0.00 175.30 173.77 2jra s LEU 57 N -1.20 3.23 0.93 -0.88 2.96 -0.85 -0.98 118.68 121.90 2jra s LEU 57 Ca 0.09 -0.01 -0.15 0.00 -0.22 0.00 0.00 54.13 53.85 2jra s LEU 57 Cb -0.09 -1.72 0.16 0.00 0.50 0.00 0.00 46.19 45.04 2jra s LEU 57 CO 0.02 0.36 1.23 0.42 -1.32 0.00 0.00 176.35 177.06 2jra s THR 58 N -0.83 1.96 -2.15 3.68 -4.23 0.32 -4.86 115.64 109.53 2jra s THR 58 Ca 0.13 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.81 2jra s THR 58 Cb -0.11 -2.92 0.42 0.00 1.34 0.00 0.00 72.50 71.23 2jra s THR 58 CO 0.02 0.00 1.50 -1.20 -0.54 0.00 0.00 174.62 174.40 2jra n SER 59 N -3.72 1.18 0.00 3.99 7.64 -1.26 -4.63 113.62 116.81 2jra n SER 59 Ca 0.12 -1.71 0.00 0.00 1.01 0.00 0.00 58.87 58.29 2jra n SER 59 Cb 0.60 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2jra n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jra n GLN 60 N 0.03 0.00 0.00 1.43 10.64 -1.26 -5.08 117.38 123.13 2jra n GLN 60 Ca 0.14 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.31 2jra n GLN 60 Cb 0.24 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.62 2jra n GLN 60 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2jra n ASN 61 N -1.57 0.00 -0.29 2.61 4.05 -1.26 -5.08 115.26 113.72 2jra n ASN 61 Ca 0.00 0.30 0.00 0.00 0.45 0.00 0.00 54.58 55.33 2jra n ASN 61 Cb 0.00 -0.25 0.00 0.00 1.23 0.00 0.00 39.78 40.76 2jra n ASN 61 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 2jra n LYS 62 N -1.26 0.00 -4.27 1.20 2.85 -1.26 -5.01 118.16 110.42 2jra n LYS 62 Ca 0.00 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.07 2jra n LYS 62 Cb 0.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 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 0.24 -5.58 2.34 -1.26 -0.53 118.68 116.31 2jra s LEU 63 Ca 0.00 -0.83 -0.08 0.00 0.06 0.00 0.00 54.13 53.28 2jra s LEU 63 Cb 0.00 -0.63 -0.02 0.00 -0.56 0.00 0.00 46.19 44.98 2jra s LEU 63 CO 0.00 -0.12 0.35 0.27 -1.06 0.00 0.00 176.35 175.80 2jra s ILE 64 N -2.15 0.00 0.01 1.48 -5.25 -0.15 -4.99 121.20 110.15 2jra s ILE 64 Ca 0.11 -1.63 -0.00 0.00 -0.99 0.00 0.00 60.65 58.14 2jra s ILE 64 Cb -0.05 -2.33 -0.04 0.00 2.95 0.00 0.00 42.46 42.99 2jra s ILE 64 CO 0.04 0.00 0.10 -0.22 -1.79 0.00 0.00 174.94 173.07 2jra s LEU 65 N -3.08 3.99 -0.01 0.37 1.98 -1.26 -1.47 118.68 119.20 2jra s LEU 65 Ca 0.29 0.17 -0.29 0.00 -2.89 0.00 0.00 54.13 51.41 2jra s LEU 65 Cb 0.02 -2.38 0.08 0.00 0.66 0.00 0.00 46.19 44.56 2jra s LEU 65 CO 0.11 0.25 0.71 0.28 -1.89 0.00 0.00 176.35 175.81 2jra s THR 66 N -1.25 0.00 0.00 3.68 -1.32 0.30 -4.97 115.64 112.08 2jra s THR 66 Ca 0.25 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.73 2jra s THR 66 Cb -0.12 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 2jra s THR 66 CO 0.16 0.00 0.00 2.29 -2.21 0.00 0.00 174.62 174.86