#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 0.90 0.01 0.03 -2.45 -1.26 -4.96 119.30 111.57 2jra s MET 2 Ca 0.00 -0.79 0.24 0.00 -1.25 0.00 0.00 55.69 53.89 2jra s MET 2 Cb 0.00 -0.19 0.30 0.00 1.25 0.00 0.00 34.83 36.19 2jra s MET 2 CO 0.00 -1.26 1.27 2.41 1.05 0.00 0.00 175.02 178.49 2jra n THR 3 N 3.72 0.04 -1.56 10.11 -1.04 -1.26 -4.84 114.28 119.45 2jra n THR 3 Ca 0.15 -0.04 -0.13 0.00 -2.04 0.00 0.00 64.05 61.99 2jra n THR 3 Cb 0.54 0.38 -0.08 0.00 -1.82 0.00 0.00 70.33 69.35 2jra n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jra n ALA 4 N -1.55 0.33 -2.11 2.41 0.00 -1.26 -4.29 120.51 114.04 2jra n ALA 4 Ca 0.05 -1.49 -0.06 0.00 0.00 0.00 0.00 53.44 51.94 2jra n ALA 4 Cb 0.35 -3.27 -0.04 0.00 0.00 0.00 0.00 19.45 16.49 2jra n ALA 4 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jra n SER 5 N 18.62 -0.95 -4.75 0.00 3.41 -1.26 -5.14 113.62 123.55 2jra n SER 5 Ca 0.47 -2.03 -0.34 0.00 -0.26 0.00 0.00 58.87 56.71 2jra n SER 5 Cb 0.43 0.31 0.07 0.00 -0.26 0.00 0.00 64.21 64.76 2jra n SER 5 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2jra s ASP 6 N -1.08 4.71 -0.96 4.04 2.15 -1.26 -4.93 116.67 119.34 2jra s ASP 6 Ca 0.03 2.23 -0.20 0.00 0.43 0.00 0.00 52.55 55.03 2jra s ASP 6 Cb 0.07 -2.58 0.10 0.00 -0.30 0.00 0.00 42.92 40.21 2jra s ASP 6 CO -0.02 -1.91 1.25 -0.13 -0.17 0.00 0.00 175.17 174.19 2jra s ARG 7 N -3.87 3.58 -0.50 4.34 3.00 -1.26 -4.98 118.95 119.26 2jra s ARG 7 Ca 0.72 -1.49 -0.28 0.00 0.00 0.00 0.00 55.73 54.68 2jra s ARG 7 Cb -0.26 -5.07 0.03 0.00 0.00 0.00 0.00 34.95 29.66 2jra s ARG 7 CO 0.41 -1.94 1.12 -0.51 0.00 0.00 0.00 175.30 174.38 2jra s LEU 8 N 3.60 3.65 -0.27 2.53 1.43 -1.26 -4.97 118.68 123.39 2jra s LEU 8 Ca 0.38 0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 53.74 2jra s LEU 8 Cb -0.03 -3.39 0.10 0.00 0.03 0.00 0.00 46.19 42.90 2jra s LEU 8 CO -0.09 -1.28 0.14 -0.83 0.23 0.00 0.00 176.35 174.51 2jra s GLY 9 N 2.57 0.41 -0.18 -3.19 0.00 -1.26 -5.12 107.32 100.55 2jra s GLY 9 Ca 0.45 -0.91 -0.19 0.00 0.00 0.00 0.00 44.72 44.08 2jra s GLY 9 CO 0.29 2.08 0.52 0.00 0.00 0.00 0.00 173.10 175.99 2jra s ALA 10 N 2.13 3.52 -0.33 3.20 0.00 -1.26 -5.05 121.76 123.97 2jra s ALA 10 Ca 0.08 -0.34 -0.04 0.00 0.00 0.00 0.00 51.96 51.66 2jra s ALA 10 Cb -0.16 -2.78 0.05 0.00 0.00 0.00 0.00 23.12 20.23 2jra s ALA 10 CO -0.33 -0.33 0.07 -0.51 0.00 0.00 0.00 175.76 174.66 2jra s ASP 11 N 1.02 5.13 -0.07 0.00 1.01 -1.26 -5.08 116.67 117.42 2jra s ASP 11 Ca 0.25 -1.26 -0.30 0.00 0.71 0.00 0.00 52.55 51.95 2jra s ASP 11 Cb -0.15 -1.80 -0.04 0.00 1.01 0.00 0.00 42.92 41.94 2jra s ASP 11 CO 0.10 -0.31 1.37 -2.16 0.21 0.00 0.00 175.17 174.37 2jra s PRO 12 N 1.32 4.26 -0.79 8.23 0.04 -1.26 -4.95 135.00 141.86 2jra s PRO 12 Ca -0.03 1.86 -0.25 0.00 0.04 0.00 0.00 61.00 62.62 2jra s PRO 12 Cb -0.20 -3.70 -0.01 0.00 0.04 0.00 0.00 34.50 30.63 2jra s PRO 12 CO 0.01 -0.64 1.72 -0.08 0.04 0.00 0.00 177.00 178.05 2jra s THR 13 N 2.98 3.54 0.59 1.26 -1.32 -1.26 -4.96 115.64 116.47 2jra s THR 13 Ca 0.61 -0.09 0.05 0.00 -1.21 0.00 0.00 61.69 61.05 2jra s THR 13 Cb -0.28 -4.31 0.11 0.00 -1.51 0.00 0.00 72.50 66.51 2jra s THR 13 CO 0.22 -1.25 0.81 0.00 -2.21 0.00 0.00 174.62 172.19 2jra n GLN 14 N 9.07 0.34 -1.06 7.08 1.13 -1.26 -4.48 117.38 128.20 2jra n GLN 14 Ca 0.25 -2.67 -0.02 0.00 -1.94 0.00 0.00 57.00 52.62 2jra n GLN 14 Cb 0.50 -0.39 -0.01 0.00 0.11 0.00 0.00 30.24 30.45 2jra n GLN 14 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jra n ALA 15 N -2.63 -0.03 -2.61 -1.58 0.00 -1.26 -4.91 120.51 107.50 2jra n ALA 15 Ca -0.13 0.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 2jra n ALA 15 Cb 0.54 -1.09 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 2jra n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jra s ALA 16 N -1.49 2.88 -0.24 0.00 0.00 -1.26 -4.97 121.76 116.68 2jra s ALA 16 Ca 0.00 -2.42 -0.27 0.00 0.00 0.00 0.00 51.96 49.27 2jra s ALA 16 Cb 0.00 -4.49 0.00 0.00 0.00 0.00 0.00 23.12 18.64 2jra s ALA 16 CO 0.00 -3.49 0.96 0.45 0.00 0.00 0.00 175.76 173.68 2jra s SER 17 N 4.70 6.98 -0.28 0.00 0.15 -1.26 -5.01 113.70 118.98 2jra s SER 17 Ca 0.46 1.22 -0.29 0.00 0.70 0.00 0.00 55.95 58.04 2jra s SER 17 Cb -0.00 -2.50 0.01 0.00 -1.71 0.00 0.00 66.02 61.82 2jra s SER 17 CO -0.07 -0.63 1.15 -0.44 1.20 0.00 0.00 173.24 174.45 2jra s SER 18 N 1.29 6.89 -0.41 5.45 0.01 -1.26 -4.98 113.70 120.69 2jra s SER 18 Ca 0.41 1.21 -0.28 0.00 1.31 0.00 0.00 55.95 58.60 2jra s SER 18 Cb -0.15 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.52 2jra s SER 18 CO 0.07 -0.89 1.82 -2.16 0.41 0.00 0.00 173.24 172.50 2jra s PRO 19 N 3.70 3.12 -0.45 12.44 0.04 -1.26 -4.90 135.00 147.69 2jra s PRO 19 Ca 0.49 1.21 0.05 0.00 0.04 0.00 0.00 61.00 62.80 2jra s PRO 19 Cb -0.15 -4.25 0.18 0.00 0.04 0.00 0.00 34.50 30.32 2jra s PRO 19 CO 0.16 -2.11 0.53 0.20 0.04 0.00 0.00 177.00 175.82 2jra s GLY 20 N 6.74 -0.16 -0.55 0.56 0.00 -1.26 -5.02 107.32 107.62 2jra s GLY 20 Ca 0.77 -1.24 0.06 0.00 0.00 0.00 0.00 44.72 44.30 2jra s GLY 20 CO 0.30 2.96 0.91 0.61 0.00 0.00 0.00 173.10 177.88 2jra n GLY 21 N 3.13 5.28 3.69 0.20 0.00 -1.26 -5.06 105.19 111.17 2jra n GLY 21 Ca 0.21 -2.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.20 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 -3.28 3.37 -0.10 4.61 0.00 -1.26 -5.05 121.76 120.06 2jra s ALA 22 Ca 0.47 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.70 2jra s ALA 22 Cb 0.28 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.16 2jra s ALA 22 CO -0.13 -0.42 -0.18 -0.98 0.00 0.00 0.00 175.76 174.06 2jra s ARG 23 N 1.54 3.07 -0.39 0.00 1.70 -1.26 -5.09 118.95 118.52 2jra s ARG 23 Ca 0.43 -0.77 -0.19 0.00 -0.47 0.00 0.00 55.73 54.73 2jra s ARG 23 Cb -0.18 -2.44 0.01 0.00 -0.57 0.00 0.00 34.95 31.77 2jra s ARG 23 CO 0.18 0.28 0.54 0.00 -1.08 0.00 0.00 175.30 175.21 2jra s ALA 24 N 0.15 3.43 -0.09 7.88 0.00 -1.26 -5.05 121.76 126.82 2jra s ALA 24 Ca -0.10 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.70 2jra s ALA 24 Cb -0.16 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 2jra s ALA 24 CO 0.06 -1.45 -0.07 0.14 0.00 0.00 0.00 175.76 174.44 2jra s VAL 25 N 2.46 3.67 0.06 0.00 -7.23 -1.26 -5.11 120.40 112.99 2jra s VAL 25 Ca 0.19 -0.48 -0.05 0.00 -1.81 0.00 0.00 61.98 59.83 2jra s VAL 25 Cb -0.15 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 2jra s VAL 25 CO 0.15 0.57 0.29 -0.44 -0.31 0.00 0.00 175.10 175.37 2jra s SER 26 N -0.52 6.47 -0.12 4.85 0.01 -1.26 -5.10 113.70 118.03 2jra s SER 26 Ca 0.08 0.51 0.02 0.00 1.31 0.00 0.00 55.95 57.87 2jra s SER 26 Cb -0.12 -2.06 0.01 0.00 0.21 0.00 0.00 66.02 64.06 2jra s SER 26 CO 0.02 0.17 -0.20 -0.63 0.41 0.00 0.00 173.24 173.01 2jra s ILE 27 N -1.46 1.85 -0.64 1.44 1.09 -1.26 -4.67 121.20 117.55 2jra s ILE 27 Ca 0.33 -0.86 -0.16 0.00 -1.10 0.00 0.00 60.65 58.86 2jra s ILE 27 Cb -0.13 -1.64 0.14 0.00 -1.06 0.00 0.00 42.46 39.77 2jra s ILE 27 CO 0.21 0.51 0.65 0.68 -0.10 0.00 0.00 174.94 176.89 2jra s VAL 28 N 0.79 5.18 0.00 2.92 -7.23 -0.49 -4.69 120.40 116.88 2jra s VAL 28 Ca -0.09 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2jra s VAL 28 Cb -0.16 -4.43 0.00 0.00 0.56 0.00 0.00 36.38 32.35 2jra s VAL 28 CO 0.00 -1.01 0.00 0.61 -0.31 0.00 0.00 175.10 174.39 2jra n GLY 29 N 4.98 2.09 0.45 2.32 0.00 -1.26 -2.14 105.19 111.63 2jra n GLY 29 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 3.87 0.00 -4.16 1.61 6.94 -1.26 -5.12 115.26 117.13 2jra n ASN 30 Ca 0.00 -0.91 -0.33 0.00 -0.02 0.00 0.00 54.58 53.32 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 3.02 0.22 -3.83 0.74 -0.91 -5.10 119.66 113.80 2jra s GLN 31 Ca 0.00 -0.84 0.11 0.00 0.05 0.00 0.00 55.36 54.68 2jra s GLN 31 Cb 0.00 -2.48 -0.05 0.00 1.10 0.00 0.00 33.01 31.58 2jra s GLN 31 CO 0.00 -0.07 -0.20 -1.50 -0.55 0.00 0.00 175.29 172.97 2jra s ILE 32 N 0.95 2.53 0.10 -2.34 2.07 -1.26 -1.40 121.20 121.86 2jra s ILE 32 Ca -0.04 -2.10 -0.14 0.00 -1.41 0.00 0.00 60.65 56.97 2jra s ILE 32 Cb -0.15 -2.26 -0.07 0.00 0.13 0.00 0.00 42.46 40.12 2jra s ILE 32 CO -0.05 -0.21 0.51 -1.81 -1.91 0.00 0.00 174.94 171.47 2jra s ASP 33 N -2.98 6.82 0.60 4.50 1.11 -1.26 -4.97 116.67 120.50 2jra s ASP 33 Ca 0.24 1.03 0.34 0.00 0.18 0.00 0.00 52.55 54.35 2jra s ASP 33 Cb -0.07 -2.27 1.94 0.00 1.07 0.00 0.00 42.92 43.59 2jra s ASP 33 CO 0.12 0.17 2.26 0.77 1.18 0.00 0.00 175.17 179.67 2jra h SER 34 N 3.87 0.00 -0.25 0.27 4.64 -2.01 -2.38 113.55 117.69 2jra h SER 34 Ca -0.49 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.81 2jra h SER 34 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2jra h SER 34 CO 0.65 0.02 0.09 -0.09 -0.87 0.00 0.00 176.83 176.63 2jra h ARG 35 N 0.00 0.38 -0.94 4.77 9.65 -1.93 -1.71 114.38 124.60 2jra h ARG 35 Ca -0.00 -0.07 0.05 0.00 -1.10 0.00 0.00 59.98 58.86 2jra h ARG 35 Cb 0.07 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 28.53 2jra h ARG 35 CO 0.00 0.43 0.61 0.93 2.80 0.00 0.00 179.97 184.74 2jra h GLU 36 N 0.25 1.10 0.03 0.20 4.39 -1.84 0.45 114.58 119.16 2jra h GLU 36 Ca 0.08 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2jra h GLU 36 Cb 0.20 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2jra h GLU 36 CO -0.01 0.73 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.49 2jra h LEU 37 N 1.13 -0.03 -3.41 1.33 3.38 -1.63 -3.37 115.31 112.71 2jra h LEU 37 Ca 0.39 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2jra h LEU 37 Cb 0.10 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2jra h LEU 37 CO -0.14 0.71 0.00 0.49 0.09 0.00 0.00 178.44 179.59 2jra n PHE 38 N -4.75 1.76 -0.34 1.13 3.72 -0.65 -4.42 117.46 113.91 2jra n PHE 38 Ca -0.09 -0.71 -0.03 0.00 -0.05 0.00 0.00 57.45 56.57 2jra n PHE 38 Cb 0.35 -0.41 0.10 0.00 -0.94 0.00 0.00 39.48 38.58 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 3.74 1.26 -2.08 4.37 1.03 -0.27 -3.30 112.91 117.65 2jra h THR 39 Ca 0.00 -0.60 -0.58 0.00 -0.01 0.00 0.00 66.41 65.22 2jra h THR 39 Cb 1.76 -0.02 -0.40 0.00 -1.07 0.00 0.00 68.15 68.42 2jra h THR 39 CO 0.38 0.28 -0.92 0.52 -0.01 0.00 0.00 175.52 175.78 2jra n VAL 40 N -4.34 0.41 0.00 0.00 0.31 -1.26 -5.06 118.33 108.39 2jra n VAL 40 Ca 0.10 -4.44 0.00 0.00 -0.01 0.00 0.00 64.34 59.99 2jra n VAL 40 Cb 0.08 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.00 2jra n VAL 40 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2jra n ASP 41 N 1.24 0.00 -0.00 4.52 -0.08 -1.24 -5.04 116.55 115.94 2jra n ASP 41 Ca 0.24 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.54 2jra n ASP 41 Cb 0.48 0.00 -0.02 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 -0.70 3.20 -3.74 -0.67 3.00 -1.26 -4.72 116.66 111.77 2jra n ARG 42 Ca 0.00 -0.01 -0.13 0.00 -0.00 0.00 0.00 57.85 57.70 2jra n ARG 42 Cb 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 32.46 31.52 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 -1.72 0.54 -0.02 -0.14 2.12 -1.26 -2.13 118.70 116.08 2jra s GLU 43 Ca 0.00 0.30 0.07 0.00 0.36 0.00 0.00 54.97 55.70 2jra s GLU 43 Cb 0.02 0.25 -0.02 0.00 0.26 0.00 0.00 34.13 34.65 2jra s GLU 43 CO 0.12 -0.10 -0.23 0.42 -0.54 0.00 0.00 175.26 174.94 2jra s ILE 44 N -0.32 1.79 -0.07 -3.70 -1.09 0.72 -5.01 121.20 113.54 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 -0.03 -1.49 -0.04 0.00 -1.58 0.00 0.00 42.46 39.31 2jra s ILE 44 CO 0.02 0.51 0.16 -0.69 -1.23 0.00 0.00 174.94 173.71 2jra s VAL 45 N -0.47 5.46 -0.30 2.92 1.01 -1.26 0.34 120.40 128.10 2jra s VAL 45 Ca 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 2jra s VAL 45 Cb -0.09 -3.46 0.10 0.00 0.00 0.00 0.00 36.38 32.92 2jra s VAL 45 CO -0.00 0.48 0.09 -0.63 0.00 0.00 0.00 175.10 175.04 2jra s ILE 46 N -1.17 0.78 0.13 2.22 1.01 0.57 -4.92 121.20 119.82 2jra s ILE 46 Ca 0.21 -1.27 -0.27 0.00 0.00 0.00 0.00 60.65 59.32 2jra s ILE 46 Cb -0.12 -1.56 -0.07 0.00 0.01 0.00 0.00 42.46 40.72 2jra s ILE 46 CO 0.11 -0.63 0.83 0.00 0.00 0.00 0.00 174.94 175.25 2jra s ALA 47 N 1.67 3.38 -0.29 9.38 0.00 -1.26 -0.47 121.76 134.16 2jra s ALA 47 Ca 0.08 0.41 -0.01 0.00 0.00 0.00 0.00 51.96 52.45 2jra s ALA 47 Cb -0.17 -3.06 0.13 0.00 0.00 0.00 0.00 23.12 20.02 2jra s ALA 47 CO -0.24 0.16 0.27 -1.58 0.00 0.00 0.00 175.76 174.37 2jra s HIS 48 N -0.64 -0.33 0.00 0.00 5.04 -0.59 -4.96 115.29 113.82 2jra s HIS 48 Ca 0.39 -0.32 0.00 0.00 -1.54 0.00 0.00 55.06 53.59 2jra s HIS 48 Cb -0.23 -0.53 0.00 0.00 0.04 0.00 0.00 32.58 31.86 2jra s HIS 48 CO 0.27 -0.91 0.00 0.41 -2.34 0.00 0.00 174.74 172.17 2jra n GLY 49 N 5.25 1.39 0.00 1.59 0.00 -1.26 -2.69 105.19 109.46 2jra n GLY 49 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 3.37 0.16 -4.95 1.61 9.92 -1.26 -5.08 116.55 120.31 2jra n ASP 50 Ca 0.00 -0.51 -0.23 0.00 -0.53 0.00 0.00 54.79 53.53 2jra n ASP 50 Cb 0.00 0.58 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 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 -0.58 6.02 -0.07 -2.24 2.15 -1.10 -5.10 116.67 115.74 2jra s ASP 51 Ca 0.00 0.30 0.02 0.00 0.43 0.00 0.00 52.55 53.30 2jra s ASP 51 Cb 0.00 -1.68 0.01 0.00 -0.30 0.00 0.00 42.92 40.95 2jra s ASP 51 CO 0.00 -0.52 -0.12 -0.13 -0.17 0.00 0.00 175.17 174.22 2jra s ARG 52 N -4.43 1.77 0.27 4.34 0.52 -1.26 -1.54 118.95 118.62 2jra s ARG 52 Ca 0.45 -0.42 0.08 0.00 -0.52 0.00 0.00 55.73 55.31 2jra s ARG 52 Cb -0.10 -1.49 -0.04 0.00 0.52 0.00 0.00 34.95 33.85 2jra s ARG 52 CO 0.36 -0.00 0.15 0.71 0.02 0.00 0.00 175.30 176.54 2jra s TYR 53 N 0.78 2.94 -0.20 -0.53 1.51 0.38 -4.76 117.35 117.47 2jra s TYR 53 Ca -0.12 -0.18 -0.03 0.00 -1.01 0.00 0.00 57.07 55.73 2jra s TYR 53 Cb -0.15 -1.41 0.06 0.00 -0.11 0.00 0.00 41.96 40.34 2jra s TYR 53 CO 0.02 0.49 0.04 1.03 -1.11 0.00 0.00 175.55 176.02 2jra s ARG 54 N -3.82 0.67 -0.40 -0.62 0.52 0.16 -0.32 118.95 115.14 2jra s ARG 54 Ca 0.34 -0.45 -0.24 0.00 -0.52 0.00 0.00 55.73 54.86 2jra s ARG 54 Cb -0.07 -2.12 0.02 0.00 0.52 0.00 0.00 34.95 33.30 2jra s ARG 54 CO 0.24 -0.65 0.81 -1.17 0.02 0.00 0.00 175.30 174.55 2jra s LEU 55 N 1.84 4.14 -0.05 2.53 2.96 0.15 -0.94 118.68 129.32 2jra s LEU 55 Ca -0.01 0.20 0.05 0.00 -0.22 0.00 0.00 54.13 54.15 2jra s LEU 55 Cb -0.17 -3.04 -0.02 0.00 0.50 0.00 0.00 46.19 43.45 2jra s LEU 55 CO -0.08 -0.84 -0.19 -0.60 -1.32 0.00 0.00 176.35 173.32 2jra s ARG 56 N 3.27 2.47 0.02 1.98 3.52 -0.47 -0.20 118.95 129.53 2jra s ARG 56 Ca 0.32 -0.80 0.06 0.00 -0.13 0.00 0.00 55.73 55.19 2jra s ARG 56 Cb -0.12 -2.27 -0.03 0.00 -1.56 0.00 0.00 34.95 30.97 2jra s ARG 56 CO 0.20 0.53 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.88 2jra s LEU 57 N -0.52 2.64 0.91 -0.88 2.96 -0.90 -0.98 118.68 121.91 2jra s LEU 57 Ca 0.07 -0.36 -0.12 0.00 -0.22 0.00 0.00 54.13 53.49 2jra s LEU 57 Cb -0.11 -1.54 0.19 0.00 0.50 0.00 0.00 46.19 45.23 2jra s LEU 57 CO 0.01 0.28 1.25 0.42 -1.32 0.00 0.00 176.35 176.99 2jra s THR 58 N -0.88 2.02 -0.31 3.68 -4.23 0.12 -4.80 115.64 111.23 2jra s THR 58 Ca 0.14 -0.17 0.24 0.00 -1.18 0.00 0.00 61.69 60.72 2jra s THR 58 Cb -0.11 -2.85 0.25 0.00 1.34 0.00 0.00 72.50 71.13 2jra s THR 58 CO 0.04 0.00 1.72 0.28 -0.54 0.00 0.00 174.62 176.12 2jra h SER 59 N -1.40 0.00 0.00 3.99 0.02 -1.98 -3.41 113.55 110.77 2jra h SER 59 Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 2jra h SER 59 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2jra h SER 59 CO 0.35 0.00 0.00 1.67 -1.14 0.00 0.00 176.83 177.71 2jra n GLN 60 N -2.30 0.00 0.00 3.45 7.27 -1.26 -5.08 117.38 119.46 2jra n GLN 60 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2jra n GLN 60 Cb 0.15 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.80 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 -0.58 0.00 -1.06 1.69 2.85 -1.26 -5.01 115.26 111.89 2jra n ASN 61 Ca 0.00 0.68 -0.00 0.00 -0.11 0.00 0.00 54.58 55.14 2jra n ASN 61 Cb 0.00 -0.19 -0.00 0.00 1.24 0.00 0.00 39.78 40.82 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 -1.08 0.02 -4.16 1.20 -0.00 -1.26 -5.01 118.16 107.88 2jra n LYS 62 Ca 0.00 -0.08 -0.10 0.00 -0.00 0.00 0.00 58.31 58.13 2jra n LYS 62 Cb 0.00 0.08 -0.10 0.00 -0.00 0.00 0.00 35.03 35.01 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 2.46 0.26 -5.58 2.34 -1.26 -0.70 118.68 116.19 2jra s LEU 63 Ca 0.01 -1.02 -0.11 0.00 0.06 0.00 0.00 54.13 53.07 2jra s LEU 63 Cb -0.00 -0.00 -0.01 0.00 -0.56 0.00 0.00 46.19 45.62 2jra s LEU 63 CO 0.01 -0.51 0.45 0.27 -1.06 0.00 0.00 176.35 175.51 2jra s ILE 64 N -3.70 0.00 0.09 1.48 -5.25 -0.15 -5.01 121.20 108.66 2jra s ILE 64 Ca 0.12 -1.48 0.04 0.00 -0.99 0.00 0.00 60.65 58.34 2jra s ILE 64 Cb 0.06 -2.29 -0.04 0.00 2.95 0.00 0.00 42.46 43.14 2jra s ILE 64 CO -0.05 0.00 0.07 -0.22 -1.79 0.00 0.00 174.94 172.95 2jra s LEU 65 N -3.05 3.75 0.25 0.37 2.96 -1.26 -1.37 118.68 120.33 2jra s LEU 65 Ca 0.25 -0.05 -0.20 0.00 -0.22 0.00 0.00 54.13 53.91 2jra s LEU 65 Cb 0.00 -2.43 0.07 0.00 0.50 0.00 0.00 46.19 44.32 2jra s LEU 65 CO 0.10 0.16 0.94 0.28 -1.32 0.00 0.00 176.35 176.51 2jra s THR 66 N -1.42 0.00 0.00 3.68 -1.32 -0.12 -4.96 115.64 111.51 2jra s THR 66 Ca 0.29 -0.75 0.00 0.00 -1.21 0.00 0.00 61.69 60.02 2jra s THR 66 Cb -0.12 -2.76 0.00 0.00 -1.51 0.00 0.00 72.50 68.11 2jra s THR 66 CO 0.22 0.00 0.00 2.29 -2.21 0.00 0.00 174.62 174.92