#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 2.25 -0.14 0.03 0.00 -1.26 -5.02 119.30 115.16 2jra s MET 2 Ca 0.00 -1.72 -0.00 0.00 0.00 0.00 0.00 55.69 53.97 2jra s MET 2 Cb 0.00 -2.04 0.10 0.00 0.00 0.00 0.00 34.83 32.89 2jra s MET 2 CO 0.00 0.01 1.95 0.25 0.00 0.00 0.00 175.02 177.23 2jra n THR 3 N -1.16 2.30 -2.25 3.16 -2.24 -1.26 -4.83 114.28 107.99 2jra n THR 3 Ca -0.02 -0.99 -0.33 0.00 -2.27 0.00 0.00 64.05 60.44 2jra n THR 3 Cb 0.63 -1.38 -0.04 0.00 -2.10 0.00 0.00 70.33 67.44 2jra n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jra s ALA 4 N -0.84 2.25 -0.44 6.98 0.00 -1.26 -4.73 121.76 123.72 2jra s ALA 4 Ca 0.14 -2.17 0.05 0.00 0.00 0.00 0.00 51.96 49.98 2jra s ALA 4 Cb 0.11 -4.62 0.17 0.00 0.00 0.00 0.00 23.12 18.79 2jra s ALA 4 CO -0.00 -4.44 0.50 -1.12 0.00 0.00 0.00 175.76 170.70 2jra s SER 5 N 6.14 0.15 0.32 0.00 0.01 -1.26 -5.15 113.70 113.91 2jra s SER 5 Ca 0.62 -2.07 -0.00 0.00 1.31 0.00 0.00 55.95 55.81 2jra s SER 5 Cb -0.01 0.80 -0.04 0.00 0.21 0.00 0.00 66.02 66.98 2jra s SER 5 CO 0.05 -0.15 0.53 1.51 0.41 0.00 0.00 173.24 175.59 2jra s ASP 6 N 0.82 6.33 -0.06 2.44 -4.77 -1.26 -5.06 116.67 115.10 2jra s ASP 6 Ca 0.27 0.49 -0.28 0.00 -3.30 0.00 0.00 52.55 49.73 2jra s ASP 6 Cb -0.03 -2.05 -0.03 0.00 -1.09 0.00 0.00 42.92 39.73 2jra s ASP 6 CO -0.09 -0.26 0.89 -0.60 0.70 0.00 0.00 175.17 175.81 2jra s ARG 7 N -4.11 4.47 0.03 2.11 3.00 -1.26 -5.05 118.95 118.15 2jra s ARG 7 Ca 0.40 1.22 -0.03 0.00 -1.00 0.00 0.00 55.73 56.33 2jra s ARG 7 Cb -0.10 -3.49 -0.02 0.00 0.00 0.00 0.00 34.95 31.35 2jra s ARG 7 CO 0.34 -0.10 0.03 -0.48 0.00 0.00 0.00 175.30 175.09 2jra s LEU 8 N 1.27 2.07 0.00 -0.88 2.34 -1.26 -5.00 118.68 117.23 2jra s LEU 8 Ca 0.46 -0.59 0.00 0.00 0.06 0.00 0.00 54.13 54.06 2jra s LEU 8 Cb -0.19 0.36 0.00 0.00 -0.56 0.00 0.00 46.19 45.79 2jra s LEU 8 CO 0.22 -0.45 0.00 0.61 -1.06 0.00 0.00 176.35 175.67 2jra n GLY 9 N 0.97 0.01 2.57 -3.48 0.00 -1.26 -5.08 105.19 98.91 2jra n GLY 9 Ca -0.20 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 -3.49 -1.81 4.61 0.00 -1.26 -4.94 120.51 113.62 2jra n ALA 10 Ca 0.00 0.76 -0.41 0.00 0.00 0.00 0.00 53.44 53.79 2jra n ALA 10 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 19.45 17.93 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 -1.32 6.85 -0.10 0.00 1.11 -1.26 -4.96 116.67 117.00 2jra s ASP 11 Ca -0.05 2.59 -0.29 0.00 0.18 0.00 0.00 52.55 54.98 2jra s ASP 11 Cb 0.00 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.31 2jra s ASP 11 CO 0.71 -0.49 1.52 -2.16 1.18 0.00 0.00 175.17 175.93 2jra s PRO 12 N -1.38 4.18 -0.05 8.23 0.04 -1.26 -4.97 135.00 139.80 2jra s PRO 12 Ca 0.50 2.00 -0.30 0.00 0.04 0.00 0.00 61.00 63.24 2jra s PRO 12 Cb -0.38 -3.92 -0.05 0.00 0.04 0.00 0.00 34.50 30.19 2jra s PRO 12 CO 0.48 -0.82 1.49 0.95 0.04 0.00 0.00 177.00 179.15 2jra s THR 13 N 3.90 3.73 -0.67 1.26 -4.23 -1.26 -4.96 115.64 113.42 2jra s THR 13 Ca 0.67 0.99 -0.22 0.00 -1.18 0.00 0.00 61.69 61.95 2jra s THR 13 Cb -0.29 -3.64 0.08 0.00 1.34 0.00 0.00 72.50 69.99 2jra s THR 13 CO 0.25 -0.05 0.94 -1.10 -0.54 0.00 0.00 174.62 174.11 2jra s GLN 14 N 3.32 3.13 0.14 3.99 -1.52 -1.26 -5.02 119.66 122.43 2jra s GLN 14 Ca 0.67 -0.93 -0.21 0.00 -1.95 0.00 0.00 55.36 52.93 2jra s GLN 14 Cb -0.31 -4.27 -0.07 0.00 -0.22 0.00 0.00 33.01 28.14 2jra s GLN 14 CO 0.26 -1.79 0.67 0.00 -0.25 0.00 0.00 175.29 174.17 2jra s ALA 15 N 3.85 3.51 -1.45 6.09 0.00 -1.26 -4.97 121.76 127.52 2jra s ALA 15 Ca 0.21 0.15 -0.13 0.00 0.00 0.00 0.00 51.96 52.19 2jra s ALA 15 Cb -0.17 -2.76 0.04 0.00 0.00 0.00 0.00 23.12 20.23 2jra s ALA 15 CO 0.09 0.36 2.24 0.00 0.00 0.00 0.00 175.76 178.45 2jra n ALA 16 N 1.37 5.65 -2.71 0.00 0.00 -1.26 -4.89 120.51 118.67 2jra n ALA 16 Ca -0.07 -3.90 -0.42 0.00 0.00 0.00 0.00 53.44 49.05 2jra n ALA 16 Cb 0.50 -3.49 -0.03 0.00 0.00 0.00 0.00 19.45 16.44 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 2.95 6.56 -0.43 0.00 0.01 -1.26 -4.98 113.70 116.54 2jra s SER 17 Ca 0.48 -1.70 -0.18 0.00 1.31 0.00 0.00 55.95 55.85 2jra s SER 17 Cb 0.14 -2.50 0.03 0.00 0.21 0.00 0.00 66.02 63.89 2jra s SER 17 CO -0.08 -1.32 0.51 -0.44 0.41 0.00 0.00 173.24 172.31 2jra s SER 18 N 4.42 6.23 -0.05 2.44 0.01 -1.26 -5.04 113.70 120.46 2jra s SER 18 Ca 0.41 -0.60 -0.30 0.00 1.31 0.00 0.00 55.95 56.77 2jra s SER 18 Cb -0.02 -2.26 -0.06 0.00 0.21 0.00 0.00 66.02 63.90 2jra s SER 18 CO -0.10 -0.66 1.66 -2.16 0.41 0.00 0.00 173.24 172.39 2jra s PRO 19 N 2.36 4.18 -0.68 12.44 0.04 -1.26 -4.96 135.00 147.13 2jra s PRO 19 Ca 0.15 2.20 0.05 0.00 0.04 0.00 0.00 61.00 63.45 2jra s PRO 19 Cb -0.16 -3.97 0.20 0.00 0.04 0.00 0.00 34.50 30.60 2jra s PRO 19 CO 0.15 -0.84 0.58 0.41 0.04 0.00 0.00 177.00 177.34 2jra n GLY 20 N 4.13 4.27 3.65 0.56 0.00 -1.26 -5.10 105.19 111.45 2jra n GLY 20 Ca 0.17 -2.63 -0.31 0.00 0.00 0.00 0.00 46.02 43.25 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 1.58 -0.49 3.56 -0.02 0.00 -1.26 -4.90 105.19 103.65 2jra n GLY 21 Ca 0.24 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.60 2.85 0.05 4.61 0.00 -1.26 -5.00 121.76 120.41 2jra s ALA 22 Ca 0.66 -1.15 -0.26 0.00 0.00 0.00 0.00 51.96 51.22 2jra s ALA 22 Cb -0.23 -4.17 -0.05 0.00 0.00 0.00 0.00 23.12 18.67 2jra s ALA 22 CO 0.58 -3.03 0.81 -0.98 0.00 0.00 0.00 175.76 173.15 2jra s ARG 23 N 5.41 4.54 -0.26 0.00 1.70 -1.26 -5.05 118.95 124.02 2jra s ARG 23 Ca 0.38 1.16 -0.10 0.00 -0.47 0.00 0.00 55.73 56.70 2jra s ARG 23 Cb -0.08 -3.37 -0.05 0.00 -0.57 0.00 0.00 34.95 30.88 2jra s ARG 23 CO 0.19 0.24 0.16 0.00 -1.08 0.00 0.00 175.30 174.81 2jra s ALA 24 N 0.04 3.46 -0.02 7.88 0.00 -1.26 -5.08 121.76 126.78 2jra s ALA 24 Ca 0.41 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 51.38 2jra s ALA 24 Cb -0.21 -2.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.53 2jra s ALA 24 CO 0.24 -0.47 -0.22 0.14 0.00 0.00 0.00 175.76 175.46 2jra s VAL 25 N 1.59 2.44 0.18 0.00 -7.23 -1.26 -5.13 120.40 110.99 2jra s VAL 25 Ca 0.07 -1.03 0.03 0.00 -1.81 0.00 0.00 61.98 59.24 2jra s VAL 25 Cb -0.15 -1.91 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 2jra s VAL 25 CO 0.08 0.54 0.29 -0.44 -0.31 0.00 0.00 175.10 175.26 2jra s SER 26 N -0.80 6.27 -0.08 4.85 0.01 -1.26 -5.11 113.70 117.59 2jra s SER 26 Ca 0.11 0.12 0.02 0.00 1.31 0.00 0.00 55.95 57.51 2jra s SER 26 Cb -0.10 -1.86 0.02 0.00 0.21 0.00 0.00 66.02 64.28 2jra s SER 26 CO 0.00 0.02 -0.11 -0.63 0.41 0.00 0.00 173.24 172.93 2jra s ILE 27 N -1.82 1.12 -0.61 1.44 -1.09 -1.26 -4.81 121.20 114.17 2jra s ILE 27 Ca 0.34 -0.45 -0.12 0.00 -2.23 0.00 0.00 60.65 58.19 2jra s ILE 27 Cb -0.10 -1.04 0.15 0.00 -1.58 0.00 0.00 42.46 39.89 2jra s ILE 27 CO 0.28 0.36 0.52 0.68 -1.23 0.00 0.00 174.94 175.56 2jra s VAL 28 N 0.86 4.90 0.00 2.92 -7.23 -0.84 -4.78 120.40 116.23 2jra s VAL 28 Ca -0.11 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 2jra s VAL 28 Cb -0.15 -4.13 0.00 0.00 0.56 0.00 0.00 36.38 32.66 2jra s VAL 28 CO 0.01 -0.89 0.00 0.61 -0.31 0.00 0.00 175.10 174.52 2jra n GLY 29 N 4.63 2.29 0.55 2.32 0.00 -1.26 -2.04 105.19 111.68 2jra n GLY 29 Ca -0.03 0.06 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 4.69 -0.01 -4.73 1.61 6.94 -1.26 -5.13 115.26 117.36 2jra n ASN 30 Ca 0.00 -1.44 -0.29 0.00 -0.02 0.00 0.00 54.58 52.83 2jra n ASN 30 Cb 0.00 -0.07 -0.07 0.00 -2.36 0.00 0.00 39.78 37.28 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 2.69 0.07 -3.83 -0.44 -0.87 -5.12 119.66 112.17 2jra s GLN 31 Ca 0.01 -0.82 -0.26 0.00 -2.50 0.00 0.00 55.36 51.79 2jra s GLN 31 Cb 0.01 -2.60 0.07 0.00 -1.64 0.00 0.00 33.01 28.86 2jra s GLN 31 CO -0.00 0.53 0.66 -1.50 0.50 0.00 0.00 175.29 175.48 2jra s ILE 32 N -1.44 0.00 0.06 -2.34 2.07 -1.26 -1.98 121.20 116.31 2jra s ILE 32 Ca 0.28 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.55 2jra s ILE 32 Cb -0.11 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.44 2jra s ILE 32 CO 0.20 0.00 0.02 -0.62 -1.91 0.00 0.00 174.94 172.63 2jra s ASP 33 N -2.20 5.17 0.57 4.50 -1.08 -1.26 -5.00 116.67 117.36 2jra s ASP 33 Ca -0.03 -0.09 0.31 0.00 -0.52 0.00 0.00 52.55 52.23 2jra s ASP 33 Cb -0.01 -1.31 1.72 0.00 -1.46 0.00 0.00 42.92 41.86 2jra s ASP 33 CO -0.05 0.21 2.17 0.77 0.52 0.00 0.00 175.17 178.79 2jra h SER 34 N 3.70 0.00 -0.46 -0.34 4.64 -2.01 -2.63 113.55 116.44 2jra h SER 34 Ca -0.48 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.73 2jra h SER 34 Cb 1.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 2jra h SER 34 CO 0.60 0.06 -0.12 -0.09 -0.87 0.00 0.00 176.83 176.41 2jra h ARG 35 N 0.00 0.94 -0.65 4.77 9.65 -1.95 -0.50 114.38 126.65 2jra h ARG 35 Ca -0.00 -0.34 0.01 0.00 -1.10 0.00 0.00 59.98 58.55 2jra h ARG 35 Cb 0.18 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.67 2jra h ARG 35 CO 0.01 1.00 0.42 0.93 2.80 0.00 0.00 179.97 185.14 2jra h GLU 36 N 0.84 0.83 0.02 0.20 4.39 -1.89 0.37 114.58 119.34 2jra h GLU 36 Ca 0.13 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2jra h GLU 36 Cb 0.66 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2jra h GLU 36 CO 0.05 0.55 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.37 2jra h LEU 37 N 0.86 -0.02 -3.61 1.33 3.38 -1.62 -3.33 115.31 112.29 2jra h LEU 37 Ca 0.24 -0.70 -0.44 0.00 0.09 0.00 0.00 57.88 57.07 2jra h LEU 37 Cb -0.07 0.01 -0.24 0.00 0.09 0.00 0.00 40.66 40.44 2jra h LEU 37 CO -0.06 0.72 0.56 0.49 0.09 0.00 0.00 178.44 180.23 2jra n PHE 38 N -4.74 2.44 -0.16 1.13 3.72 -0.21 -4.47 117.46 115.16 2jra n PHE 38 Ca -0.09 -1.79 -0.02 0.00 -0.05 0.00 0.00 57.45 55.50 2jra n PHE 38 Cb 0.35 -0.90 0.20 0.00 -0.94 0.00 0.00 39.48 38.19 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 0.83 1.22 0.00 4.37 1.03 -1.03 -3.39 112.91 115.94 2jra h THR 39 Ca 0.50 -0.69 0.00 0.00 -0.01 0.00 0.00 66.41 66.20 2jra h THR 39 Cb 2.11 0.49 0.00 0.00 -1.07 0.00 0.00 68.15 69.68 2jra h THR 39 CO 0.95 0.27 -0.78 0.52 -0.01 0.00 0.00 175.52 176.48 2jra n VAL 40 N -4.31 0.26 -1.68 0.00 0.31 -1.26 -5.08 118.33 106.56 2jra n VAL 40 Ca 0.05 0.09 -0.14 0.00 -0.01 0.00 0.00 64.34 64.33 2jra n VAL 40 Cb 0.17 -1.51 0.09 0.00 -0.91 0.00 0.00 33.84 31.68 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 -3.10 0.20 0.00 4.52 9.92 -1.26 -5.03 116.55 121.79 2jra n ASP 41 Ca 0.00 -1.31 0.00 0.00 -0.53 0.00 0.00 54.79 52.95 2jra n ASP 41 Cb 0.39 -0.45 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 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 -2.27 0.35 -3.76 -1.24 3.00 -1.26 -4.57 116.66 106.91 2jra n ARG 42 Ca 0.08 -0.51 -0.12 0.00 -0.00 0.00 0.00 57.85 57.30 2jra n ARG 42 Cb 0.28 -0.67 -0.12 0.00 0.00 0.00 0.00 32.46 31.96 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 -0.17 0.29 -0.02 -0.14 2.12 -1.26 -1.31 118.70 118.20 2jra s GLU 43 Ca 0.00 0.45 0.07 0.00 0.36 0.00 0.00 54.97 55.85 2jra s GLU 43 Cb 0.00 0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.44 2jra s GLU 43 CO 0.00 -0.08 -0.24 0.42 -0.54 0.00 0.00 175.26 174.82 2jra s ILE 44 N 0.54 1.91 -0.12 -3.70 -1.09 0.53 -4.99 121.20 114.28 2jra s ILE 44 Ca -0.03 -1.03 -0.09 0.00 -2.23 0.00 0.00 60.65 57.26 2jra s ILE 44 Cb -0.05 -1.58 -0.04 0.00 -1.58 0.00 0.00 42.46 39.21 2jra s ILE 44 CO -0.03 0.54 0.19 -0.69 -1.23 0.00 0.00 174.94 173.72 2jra s VAL 45 N -0.57 5.41 -0.26 2.92 1.01 -1.26 0.44 120.40 128.09 2jra s VAL 45 Ca 0.09 0.33 -0.00 0.00 0.00 0.00 0.00 61.98 62.40 2jra s VAL 45 Cb -0.09 -3.48 0.08 0.00 0.00 0.00 0.00 36.38 32.89 2jra s VAL 45 CO -0.01 0.56 0.04 -0.63 0.00 0.00 0.00 175.10 175.06 2jra s ILE 46 N -0.68 1.08 0.08 2.22 1.01 0.56 -4.92 121.20 120.56 2jra s ILE 46 Ca 0.15 -1.21 -0.26 0.00 0.00 0.00 0.00 60.65 59.33 2jra s ILE 46 Cb -0.13 -1.62 -0.06 0.00 0.01 0.00 0.00 42.46 40.66 2jra s ILE 46 CO 0.04 -0.39 0.81 0.00 0.00 0.00 0.00 174.94 175.41 2jra s ALA 47 N 1.56 3.35 -0.35 9.38 0.00 -1.26 -0.34 121.76 134.10 2jra s ALA 47 Ca 0.03 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.36 2jra s ALA 47 Cb -0.18 -3.06 0.14 0.00 0.00 0.00 0.00 23.12 20.02 2jra s ALA 47 CO -0.14 0.08 0.25 -1.58 0.00 0.00 0.00 175.76 174.37 2jra s HIS 48 N -0.21 0.32 0.00 0.00 5.04 -0.27 -4.97 115.29 115.20 2jra s HIS 48 Ca 0.40 -1.23 0.00 0.00 -1.54 0.00 0.00 55.06 52.69 2jra s HIS 48 Cb -0.22 -0.74 0.00 0.00 0.04 0.00 0.00 32.58 31.67 2jra s HIS 48 CO 0.25 -0.87 0.00 0.41 -2.34 0.00 0.00 174.74 172.19 2jra n GLY 49 N 4.31 2.02 0.01 1.59 0.00 -1.26 -2.89 105.19 108.97 2jra n GLY 49 Ca 0.09 -0.57 0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 7.67 0.32 -4.96 1.61 9.92 -1.26 -4.97 116.55 124.88 2jra n ASP 50 Ca 0.00 -0.28 -0.22 0.00 -0.53 0.00 0.00 54.79 53.76 2jra n ASP 50 Cb 0.00 1.65 -0.01 0.00 -0.64 0.00 0.00 41.12 42.12 2jra n ASP 50 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2jra s ASP 51 N -4.09 6.17 0.00 -2.24 2.15 -1.14 -5.12 116.67 112.40 2jra s ASP 51 Ca -0.03 0.23 -0.00 0.00 0.43 0.00 0.00 52.55 53.17 2jra s ASP 51 Cb 0.14 -1.77 -0.00 0.00 -0.30 0.00 0.00 42.92 40.99 2jra s ASP 51 CO 0.89 -0.34 -0.00 -0.13 -0.17 0.00 0.00 175.17 175.43 2jra s ARG 52 N -4.26 0.08 0.47 4.34 0.52 -1.26 -1.11 118.95 117.73 2jra s ARG 52 Ca 0.41 -0.13 0.03 0.00 -0.52 0.00 0.00 55.73 55.52 2jra s ARG 52 Cb -0.09 0.03 -0.03 0.00 0.52 0.00 0.00 34.95 35.37 2jra s ARG 52 CO 0.34 -0.01 0.01 0.71 0.02 0.00 0.00 175.30 176.37 2jra s TYR 53 N -0.32 2.05 -0.12 -0.53 1.51 0.54 -4.85 117.35 115.63 2jra s TYR 53 Ca -0.04 -0.89 -0.04 0.00 -1.01 0.00 0.00 57.07 55.09 2jra s TYR 53 Cb -0.02 -1.62 0.05 0.00 -0.11 0.00 0.00 41.96 40.26 2jra s TYR 53 CO -0.00 0.26 0.11 1.03 -1.11 0.00 0.00 175.55 175.83 2jra s ARG 54 N -3.82 0.03 -0.51 -0.62 0.52 0.20 -0.32 118.95 114.43 2jra s ARG 54 Ca 0.16 0.19 -0.27 0.00 -0.52 0.00 0.00 55.73 55.29 2jra s ARG 54 Cb 0.04 -1.11 0.03 0.00 0.52 0.00 0.00 34.95 34.44 2jra s ARG 54 CO 0.08 -0.51 1.07 -1.17 0.02 0.00 0.00 175.30 174.80 2jra s LEU 55 N 2.19 3.74 -0.07 2.53 2.96 0.17 -1.39 118.68 128.82 2jra s LEU 55 Ca 0.04 0.19 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 2jra s LEU 55 Cb -0.14 -3.28 -0.03 0.00 0.50 0.00 0.00 46.19 43.24 2jra s LEU 55 CO -0.07 -1.26 -0.10 -0.60 -1.32 0.00 0.00 176.35 173.00 2jra s ARG 56 N 4.34 2.73 -0.08 1.98 3.52 -0.01 -0.35 118.95 131.09 2jra s ARG 56 Ca 0.42 -0.62 -0.00 0.00 -0.13 0.00 0.00 55.73 55.39 2jra s ARG 56 Cb -0.09 -2.51 -0.03 0.00 -1.56 0.00 0.00 34.95 30.76 2jra s ARG 56 CO 0.27 0.60 -0.04 -1.17 -0.81 0.00 0.00 175.30 174.15 2jra s LEU 57 N -0.64 3.33 0.00 -0.88 2.96 -0.43 -0.85 118.68 122.17 2jra s LEU 57 Ca 0.10 0.04 -0.14 0.00 -0.22 0.00 0.00 54.13 53.91 2jra s LEU 57 Cb -0.11 -1.74 0.19 0.00 0.50 0.00 0.00 46.19 45.03 2jra s LEU 57 CO 0.01 0.36 1.12 0.35 -1.32 0.00 0.00 176.35 176.88 2jra n THR 58 N 2.23 0.00 -0.27 3.68 -2.24 -0.24 -4.83 114.28 112.61 2jra n THR 58 Ca -0.18 -0.83 0.31 0.00 -2.27 0.00 0.00 64.05 61.08 2jra n THR 58 Cb 0.53 -1.58 0.71 0.00 -2.10 0.00 0.00 70.33 67.88 2jra n THR 58 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jra h SER 59 N -1.47 0.07 0.00 3.42 0.02 -1.99 -3.41 113.55 110.18 2jra h SER 59 Ca -0.36 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2jra h SER 59 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 2jra h SER 59 CO 0.26 0.02 0.00 0.00 -1.14 0.00 0.00 176.83 175.96 2jra n GLN 60 N -4.28 0.00 -0.00 3.45 10.64 -1.26 -5.06 117.38 120.87 2jra n GLN 60 Ca 0.23 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.33 2jra n GLN 60 Cb 1.08 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 30.42 2jra n GLN 60 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 2jra h ASN 61 N 0.00 -0.75 -1.21 2.61 4.21 -1.99 -3.47 115.58 114.97 2jra h ASN 61 Ca 0.00 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.60 2jra h ASN 61 Cb 0.00 0.29 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 2jra h ASN 61 CO 0.00 -0.21 0.00 2.29 -1.29 0.00 0.00 177.43 178.22 2jra n LYS 62 N -3.82 0.00 -4.20 0.81 2.85 -1.26 -5.04 118.16 107.50 2jra n LYS 62 Ca -0.03 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.11 2jra n LYS 62 Cb 0.16 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.44 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 2.48 0.26 -5.58 2.34 -1.26 -1.07 118.68 115.84 2jra s LEU 63 Ca 0.00 -1.03 -0.10 0.00 0.06 0.00 0.00 54.13 53.07 2jra s LEU 63 Cb 0.00 -0.16 -0.01 0.00 -0.56 0.00 0.00 46.19 45.47 2jra s LEU 63 CO 0.00 -0.43 0.43 0.27 -1.06 0.00 0.00 176.35 175.56 2jra s ILE 64 N -3.53 0.00 -0.09 1.48 -5.25 -0.03 -5.00 121.20 108.78 2jra s ILE 64 Ca 0.15 -1.52 0.02 0.00 -0.99 0.00 0.00 60.65 58.31 2jra s ILE 64 Cb 0.05 -2.33 -0.02 0.00 2.95 0.00 0.00 42.46 43.11 2jra s ILE 64 CO -0.02 0.00 -0.14 -0.22 -1.79 0.00 0.00 174.94 172.77 2jra s LEU 65 N -3.07 2.69 0.37 0.37 2.96 -1.26 -0.83 118.68 119.91 2jra s LEU 65 Ca 0.26 -0.27 -0.15 0.00 -0.22 0.00 0.00 54.13 53.74 2jra s LEU 65 Cb 0.00 -1.57 0.05 0.00 0.50 0.00 0.00 46.19 45.17 2jra s LEU 65 CO 0.11 0.26 0.76 0.28 -1.32 0.00 0.00 176.35 176.43 2jra s THR 66 N -0.19 0.00 0.00 3.68 -1.32 -0.48 -4.98 115.64 112.34 2jra s THR 66 Ca -0.00 -1.05 0.00 0.00 -1.21 0.00 0.00 61.69 59.43 2jra s THR 66 Cb -0.13 -2.77 0.00 0.00 -1.51 0.00 0.00 72.50 68.09 2jra s THR 66 CO 0.03 0.00 0.00 2.29 -2.21 0.00 0.00 174.62 174.73