#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jra n MET 2 N 0.00 0.39 -3.93 0.03 -0.00 -1.26 -5.10 117.12 107.25 2jra n MET 2 Ca 0.00 -0.96 -0.31 0.00 -0.00 0.00 0.00 57.70 56.43 2jra n MET 2 Cb 0.00 1.34 -0.14 0.00 -0.00 0.00 0.00 33.22 34.43 2jra n MET 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2jra s THR 3 N -2.16 2.69 -1.44 3.17 2.01 -1.26 -4.96 115.64 113.70 2jra s THR 3 Ca 0.18 -3.06 0.06 0.00 0.31 0.00 0.00 61.69 59.19 2jra s THR 3 Cb -0.02 -2.87 0.25 0.00 0.01 0.00 0.00 72.50 69.87 2jra s THR 3 CO 0.03 -0.77 1.07 0.00 -0.69 0.00 0.00 174.62 174.26 2jra n ALA 4 N 3.41 2.69 -1.89 7.40 0.00 -1.26 -4.74 120.51 126.12 2jra n ALA 4 Ca 0.05 -0.54 -0.23 0.00 0.00 0.00 0.00 53.44 52.72 2jra n ALA 4 Cb 0.35 -1.01 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.67 4.42 0.07 0.00 1.04 -1.26 -4.92 113.70 112.38 2jra s SER 5 Ca 0.18 -1.29 -0.22 0.00 0.48 0.00 0.00 55.95 55.10 2jra s SER 5 Cb 0.11 -2.59 -0.06 0.00 0.10 0.00 0.00 66.02 63.58 2jra s SER 5 CO 0.09 -3.69 0.66 1.51 0.98 0.00 0.00 173.24 172.79 2jra s ASP 6 N 7.49 7.14 -0.30 7.02 -4.77 -1.26 -5.05 116.67 126.94 2jra s ASP 6 Ca 0.74 1.36 -0.03 0.00 -3.30 0.00 0.00 52.55 51.32 2jra s ASP 6 Cb -0.03 -2.41 0.19 0.00 -1.09 0.00 0.00 42.92 39.57 2jra s ASP 6 CO 0.14 0.16 0.69 0.00 0.70 0.00 0.00 175.17 176.85 2jra s ARG 7 N -0.63 0.49 0.07 2.11 1.70 -1.26 -5.15 118.95 116.28 2jra s ARG 7 Ca 0.33 0.82 -0.11 0.00 -0.47 0.00 0.00 55.73 56.30 2jra s ARG 7 Cb -0.20 0.45 -0.06 0.00 -0.57 0.00 0.00 34.95 34.57 2jra s ARG 7 CO 0.21 -0.59 0.42 -0.48 -1.08 0.00 0.00 175.30 173.79 2jra s LEU 8 N 2.88 4.37 -0.47 -1.89 0.05 -1.26 -5.05 118.68 117.31 2jra s LEU 8 Ca 0.16 0.86 0.06 0.00 0.05 0.00 0.00 54.13 55.27 2jra s LEU 8 Cb -0.13 -2.94 0.24 0.00 -2.05 0.00 0.00 46.19 41.31 2jra s LEU 8 CO -0.20 0.19 0.79 0.61 -0.55 0.00 0.00 176.35 177.20 2jra n GLY 9 N 1.08 0.65 1.36 -3.48 0.00 -1.26 -5.14 105.19 98.41 2jra n GLY 9 Ca -0.09 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 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 1.68 0.16 -3.46 4.61 0.00 -1.26 -5.14 120.51 117.11 2jra n ALA 10 Ca 0.12 -0.70 -0.12 0.00 0.00 0.00 0.00 53.44 52.74 2jra n ALA 10 Cb 0.60 0.14 -0.12 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.38 -0.32 -0.28 0.00 -4.77 -1.26 -5.04 116.67 102.62 2jra s ASP 11 Ca 0.23 0.61 0.07 0.00 -3.30 0.00 0.00 52.55 50.16 2jra s ASP 11 Cb -0.01 0.55 0.59 0.00 -1.09 0.00 0.00 42.92 42.96 2jra s ASP 11 CO 0.15 -0.14 1.62 -0.81 0.70 0.00 0.00 175.17 176.69 2jra n PRO 12 N 3.60 3.00 -1.60 2.11 -0.04 -1.26 -4.94 135.00 135.88 2jra n PRO 12 Ca -0.19 -2.46 -0.31 0.00 -0.04 0.00 0.00 63.50 60.50 2jra n PRO 12 Cb 0.56 -2.02 -0.04 0.00 -0.04 0.00 0.00 33.50 31.95 2jra n PRO 12 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2jra s THR 13 N -2.53 3.03 -0.56 0.52 2.01 -1.26 -4.87 115.64 111.99 2jra s THR 13 Ca 0.45 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.49 2jra s THR 13 Cb 0.36 -3.09 0.14 0.00 0.01 0.00 0.00 72.50 69.92 2jra s THR 13 CO 0.11 -0.08 0.32 -1.58 -0.69 0.00 0.00 174.62 172.69 2jra s GLN 14 N 8.32 2.06 -0.23 4.92 2.00 -1.26 -5.08 119.66 130.39 2jra s GLN 14 Ca 0.94 -2.78 -0.15 0.00 -2.00 0.00 0.00 55.36 51.38 2jra s GLN 14 Cb -0.16 -3.29 -0.04 0.00 0.80 0.00 0.00 33.01 30.33 2jra s GLN 14 CO 0.21 -1.16 0.37 0.00 -0.50 0.00 0.00 175.29 174.21 2jra s ALA 15 N -0.56 3.57 -0.26 1.58 0.00 -1.26 -5.06 121.76 119.77 2jra s ALA 15 Ca 0.19 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 2jra s ALA 15 Cb -0.20 -2.63 0.01 0.00 0.00 0.00 0.00 23.12 20.29 2jra s ALA 15 CO -0.04 -0.43 0.01 0.00 0.00 0.00 0.00 175.76 175.30 2jra s ALA 16 N 1.59 2.90 -0.70 0.00 0.00 -1.26 -5.03 121.76 119.26 2jra s ALA 16 Ca 0.16 -1.39 -0.25 0.00 0.00 0.00 0.00 51.96 50.48 2jra s ALA 16 Cb -0.15 -1.91 -0.14 0.00 0.00 0.00 0.00 23.12 20.93 2jra s ALA 16 CO 0.08 -0.78 2.43 0.43 0.00 0.00 0.00 175.76 177.92 2jra n SER 17 N 4.79 1.58 -4.62 0.00 7.64 -1.26 -4.87 113.62 116.88 2jra n SER 17 Ca -0.16 -0.81 -0.43 0.00 1.01 0.00 0.00 58.87 58.48 2jra n SER 17 Cb 0.48 -1.45 -0.02 0.00 -1.01 0.00 0.00 64.21 62.21 2jra n SER 17 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jra s SER 18 N 10.35 6.35 0.47 6.43 0.01 -1.26 -4.88 113.70 131.17 2jra s SER 18 Ca 1.03 1.38 0.25 0.00 1.31 0.00 0.00 55.95 59.92 2jra s SER 18 Cb -0.33 -2.53 1.14 0.00 0.21 0.00 0.00 66.02 64.51 2jra s SER 18 CO 0.25 -1.32 1.93 -0.65 0.41 0.00 0.00 173.24 173.86 2jra h PRO 19 N 10.77 0.00 0.00 12.44 0.11 -1.89 -3.47 132.00 149.96 2jra h PRO 19 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2jra h PRO 19 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2jra h PRO 19 CO 1.02 0.20 0.00 0.41 -0.21 0.00 0.00 178.00 179.42 2jra n GLY 20 N -0.26 1.75 0.00 -0.55 0.00 -1.26 -4.81 105.19 100.06 2jra n GLY 20 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.08 3.90 -0.02 0.00 -1.26 -5.12 105.19 102.61 2jra n GLY 21 Ca 0.00 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.00 3.94 0.11 4.61 0.00 -1.26 -5.09 121.76 123.06 2jra s ALA 22 Ca 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 51.96 51.14 2jra s ALA 22 Cb 0.00 -1.92 -0.01 0.00 0.00 0.00 0.00 23.12 21.19 2jra s ALA 22 CO 0.00 0.75 0.21 -0.98 0.00 0.00 0.00 175.76 175.73 2jra s ARG 23 N -2.15 0.93 -0.24 0.00 3.03 -1.26 -5.15 118.95 114.11 2jra s ARG 23 Ca 0.31 -1.04 -0.04 0.00 2.03 0.00 0.00 55.73 56.99 2jra s ARG 23 Cb -0.13 0.35 -0.00 0.00 -1.03 0.00 0.00 34.95 34.14 2jra s ARG 23 CO 0.22 -0.31 -0.01 0.00 -1.13 0.00 0.00 175.30 174.07 2jra s ALA 24 N -3.90 2.87 -0.01 7.88 0.00 -1.26 -5.10 121.76 122.24 2jra s ALA 24 Ca 0.09 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 50.81 2jra s ALA 24 Cb 0.05 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 2jra s ALA 24 CO -0.08 -0.59 -0.05 0.14 0.00 0.00 0.00 175.76 175.19 2jra s VAL 25 N 1.47 3.80 0.20 0.00 -7.23 -1.26 -5.12 120.40 112.26 2jra s VAL 25 Ca 0.04 -0.68 0.05 0.00 -1.81 0.00 0.00 61.98 59.59 2jra s VAL 25 Cb -0.15 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 2jra s VAL 25 CO -0.02 0.43 0.25 -0.94 -0.31 0.00 0.00 175.10 174.51 2jra s SER 26 N -1.35 5.94 -0.14 4.85 1.04 -1.26 -5.11 113.70 117.67 2jra s SER 26 Ca 0.17 -0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.58 2jra s SER 26 Cb -0.11 -1.66 0.02 0.00 0.10 0.00 0.00 66.02 64.36 2jra s SER 26 CO 0.07 -0.00 -0.19 -0.63 0.98 0.00 0.00 173.24 173.47 2jra s ILE 27 N -1.91 1.85 -0.56 -1.02 1.09 -1.26 -4.72 121.20 114.66 2jra s ILE 27 Ca 0.33 -0.83 -0.16 0.00 -1.10 0.00 0.00 60.65 58.89 2jra s ILE 27 Cb -0.09 -1.66 0.14 0.00 -1.06 0.00 0.00 42.46 39.78 2jra s ILE 27 CO 0.27 0.51 0.52 0.68 -0.10 0.00 0.00 174.94 176.81 2jra s VAL 28 N 1.06 5.23 0.00 2.92 -7.23 -0.07 -4.71 120.40 117.61 2jra s VAL 28 Ca -0.03 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 2jra s VAL 28 Cb -0.14 -4.35 0.00 0.00 0.56 0.00 0.00 36.38 32.45 2jra s VAL 28 CO -0.06 -0.88 0.00 0.61 -0.31 0.00 0.00 175.10 174.46 2jra n GLY 29 N 5.17 1.88 0.41 2.32 0.00 -1.26 -1.58 105.19 112.12 2jra n GLY 29 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 3.53 0.00 -4.78 1.61 6.94 -1.26 -5.14 115.26 116.16 2jra n ASN 30 Ca 0.00 -0.90 -0.27 0.00 -0.02 0.00 0.00 54.58 53.39 2jra n ASN 30 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 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 2.84 -0.10 -3.83 -0.44 -0.61 -5.09 119.66 112.43 2jra s GLN 31 Ca 0.00 -0.85 -0.30 0.00 -2.50 0.00 0.00 55.36 51.71 2jra s GLN 31 Cb 0.00 -2.63 0.07 0.00 -1.64 0.00 0.00 33.01 28.81 2jra s GLN 31 CO 0.00 0.50 0.69 -1.50 0.50 0.00 0.00 175.29 175.48 2jra s ILE 32 N -1.66 0.00 0.03 -2.34 2.07 -1.26 -0.89 121.20 117.15 2jra s ILE 32 Ca 0.30 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.55 2jra s ILE 32 Cb -0.10 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.45 2jra s ILE 32 CO 0.22 0.00 0.10 -0.62 -1.91 0.00 0.00 174.94 172.74 2jra s ASP 33 N -0.88 5.76 0.57 4.50 -1.08 -1.26 -5.00 116.67 119.29 2jra s ASP 33 Ca -0.09 0.13 0.30 0.00 -0.52 0.00 0.00 52.55 52.38 2jra s ASP 33 Cb -0.01 -1.65 1.75 0.00 -1.46 0.00 0.00 42.92 41.55 2jra s ASP 33 CO 0.08 0.23 2.20 0.28 0.52 0.00 0.00 175.17 178.49 2jra h SER 34 N 3.73 0.00 -0.67 -0.34 0.02 -2.01 -2.27 113.55 112.01 2jra h SER 34 Ca -0.48 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.42 2jra h SER 34 Cb 1.17 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 2jra h SER 34 CO 0.65 0.04 0.22 0.03 -1.14 0.00 0.00 176.83 176.63 2jra h ARG 35 N 0.00 1.04 -0.13 3.45 2.47 -1.94 0.39 114.38 119.65 2jra h ARG 35 Ca -0.00 -0.22 0.03 0.00 -1.26 0.00 0.00 59.98 58.53 2jra h ARG 35 Cb 0.12 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.25 2jra h ARG 35 CO 0.01 0.90 -0.07 0.93 0.56 0.00 0.00 179.97 182.29 2jra h GLU 36 N 0.97 -0.06 0.05 0.04 5.08 -1.82 -1.14 114.58 117.70 2jra h GLU 36 Ca 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2jra h GLU 36 Cb 0.28 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2jra h GLU 36 CO -0.01 -0.04 -0.02 -0.07 -1.00 0.00 0.00 179.01 177.87 2jra h LEU 37 N -0.06 -0.06 -2.94 1.33 3.38 -1.59 -3.31 115.31 112.05 2jra h LEU 37 Ca 0.08 -0.59 -0.22 0.00 0.09 0.00 0.00 57.88 57.23 2jra h LEU 37 Cb 0.18 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 40.81 2jra h LEU 37 CO -0.17 0.66 0.28 0.49 0.09 0.00 0.00 178.44 179.78 2jra n PHE 38 N -4.77 1.56 0.12 1.13 3.72 0.11 -4.39 117.46 114.94 2jra n PHE 38 Ca -0.08 -1.05 0.16 0.00 -0.05 0.00 0.00 57.45 56.43 2jra n PHE 38 Cb 0.32 -0.57 0.71 0.00 -0.94 0.00 0.00 39.48 39.00 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 0.91 0.74 0.00 4.37 1.03 -1.30 -3.36 112.91 115.30 2jra h THR 39 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.67 2jra h THR 39 Cb 1.87 0.83 0.00 0.00 -1.07 0.00 0.00 68.15 69.78 2jra h THR 39 CO 0.53 0.00 -0.21 1.33 -0.01 0.00 0.00 175.52 177.17 2jra n VAL 40 N -4.28 0.00 -3.14 0.00 0.24 -1.26 -5.04 118.33 104.84 2jra n VAL 40 Ca 0.04 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.92 2jra n VAL 40 Cb 0.41 -0.38 -0.07 0.00 -1.47 0.00 0.00 33.84 32.32 2jra n VAL 40 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2jra s ASP 41 N -4.03 6.33 0.00 -1.34 1.01 -1.26 -4.86 116.67 112.53 2jra s ASP 41 Ca 0.00 -0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.03 2jra s ASP 41 Cb 0.00 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.62 2jra s ASP 41 CO 0.00 -0.69 0.87 -1.14 0.21 0.00 0.00 175.17 174.42 2jra n ARG 42 N 6.11 0.00 -3.81 8.23 0.63 -1.26 -4.30 116.66 122.26 2jra n ARG 42 Ca -0.02 0.37 -0.13 0.00 -0.92 0.00 0.00 57.85 57.15 2jra n ARG 42 Cb 0.48 -1.50 -0.14 0.00 0.45 0.00 0.00 32.46 31.75 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 -2.74 0.07 0.02 -0.14 2.12 -1.26 -1.36 118.70 115.40 2jra s GLU 43 Ca 0.00 0.19 0.07 0.00 0.36 0.00 0.00 54.97 55.58 2jra s GLU 43 Cb 0.00 -0.06 -0.02 0.00 0.26 0.00 0.00 34.13 34.31 2jra s GLU 43 CO 0.00 -0.07 -0.20 0.42 -0.54 0.00 0.00 175.26 174.87 2jra s ILE 44 N 0.49 1.56 -0.08 -3.70 -1.09 0.65 -5.00 121.20 114.02 2jra s ILE 44 Ca -0.04 -1.03 -0.04 0.00 -2.23 0.00 0.00 60.65 57.31 2jra s ILE 44 Cb -0.05 -1.34 -0.04 0.00 -1.58 0.00 0.00 42.46 39.45 2jra s ILE 44 CO -0.02 0.28 0.09 -0.69 -1.23 0.00 0.00 174.94 173.37 2jra s VAL 45 N -0.66 5.02 -0.18 2.92 1.01 -1.26 0.49 120.40 127.74 2jra s VAL 45 Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 2jra s VAL 45 Cb -0.08 -3.20 0.05 0.00 0.00 0.00 0.00 36.38 33.15 2jra s VAL 45 CO 0.01 0.55 -0.01 -0.63 0.00 0.00 0.00 175.10 175.01 2jra s ILE 46 N -1.04 0.86 0.05 2.22 1.01 0.99 -4.91 121.20 120.39 2jra s ILE 46 Ca 0.17 -0.62 -0.22 0.00 0.00 0.00 0.00 60.65 59.98 2jra s ILE 46 Cb -0.12 -1.19 -0.06 0.00 0.01 0.00 0.00 42.46 41.10 2jra s ILE 46 CO 0.06 -0.03 0.66 0.00 0.00 0.00 0.00 174.94 175.63 2jra s ALA 47 N 1.72 3.47 -0.29 9.38 0.00 -1.26 -0.33 121.76 134.45 2jra s ALA 47 Ca -0.01 0.14 -0.00 0.00 0.00 0.00 0.00 51.96 52.10 2jra s ALA 47 Cb -0.16 -2.81 0.14 0.00 0.00 0.00 0.00 23.12 20.28 2jra s ALA 47 CO -0.07 0.21 0.31 -1.58 0.00 0.00 0.00 175.76 174.63 2jra s HIS 48 N -0.49 -0.51 0.00 0.00 5.04 -0.93 -4.87 115.29 113.52 2jra s HIS 48 Ca 0.33 -0.16 0.00 0.00 -1.54 0.00 0.00 55.06 53.69 2jra s HIS 48 Cb -0.20 -0.43 0.00 0.00 0.04 0.00 0.00 32.58 31.99 2jra s HIS 48 CO 0.20 -0.93 0.00 0.41 -2.34 0.00 0.00 174.74 172.08 2jra n GLY 49 N 5.26 0.51 3.01 1.59 0.00 -1.26 -3.17 105.19 111.13 2jra n GLY 49 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 1.83 -1.97 -4.93 1.61 8.00 -1.26 -5.01 116.55 114.83 2jra n ASP 50 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 2jra n ASP 50 Cb 0.46 -1.48 0.01 0.00 -0.02 0.00 0.00 41.12 40.09 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 -2.30 6.01 -0.22 -2.24 2.15 -1.19 -5.08 116.67 113.79 2jra s ASP 51 Ca 0.00 0.60 0.02 0.00 0.43 0.00 0.00 52.55 53.60 2jra s ASP 51 Cb 0.00 -1.88 0.04 0.00 -0.30 0.00 0.00 42.92 40.78 2jra s ASP 51 CO 0.00 -0.66 -0.15 -0.13 -0.17 0.00 0.00 175.17 174.06 2jra s ARG 52 N -4.65 2.56 0.28 4.34 1.81 -1.26 -2.19 118.95 119.83 2jra s ARG 52 Ca 0.48 -1.09 0.07 0.00 -1.72 0.00 0.00 55.73 53.46 2jra s ARG 52 Cb -0.10 -2.72 -0.03 0.00 -0.45 0.00 0.00 34.95 31.65 2jra s ARG 52 CO 0.41 -0.40 0.28 0.71 -0.68 0.00 0.00 175.30 175.62 2jra s TYR 53 N 1.20 3.10 -0.20 -0.53 1.51 0.56 -4.74 117.35 118.25 2jra s TYR 53 Ca -0.02 -0.17 -0.03 0.00 -1.01 0.00 0.00 57.07 55.84 2jra s TYR 53 Cb -0.17 -1.61 0.06 0.00 -0.11 0.00 0.00 41.96 40.13 2jra s TYR 53 CO -0.09 0.35 0.03 1.03 -1.11 0.00 0.00 175.55 175.76 2jra s ARG 54 N -3.95 0.71 -0.42 -0.62 0.52 0.22 -0.01 118.95 115.41 2jra s ARG 54 Ca 0.37 -0.46 -0.23 0.00 -0.52 0.00 0.00 55.73 54.90 2jra s ARG 54 Cb -0.08 -2.14 0.02 0.00 0.52 0.00 0.00 34.95 33.28 2jra s ARG 54 CO 0.27 -0.64 0.77 -1.17 0.02 0.00 0.00 175.30 174.55 2jra s LEU 55 N 1.83 4.22 -0.02 2.53 2.96 0.18 -1.05 118.68 129.33 2jra s LEU 55 Ca -0.01 0.04 0.07 0.00 -0.22 0.00 0.00 54.13 54.01 2jra s LEU 55 Cb -0.17 -2.96 -0.02 0.00 0.50 0.00 0.00 46.19 43.54 2jra s LEU 55 CO -0.08 -0.83 -0.24 -0.60 -1.32 0.00 0.00 176.35 173.29 2jra s ARG 56 N 3.17 2.18 -0.06 1.98 3.52 -0.14 -0.26 118.95 129.34 2jra s ARG 56 Ca 0.30 -0.89 -0.02 0.00 -0.13 0.00 0.00 55.73 54.98 2jra s ARG 56 Cb -0.13 -2.11 -0.04 0.00 -1.56 0.00 0.00 34.95 31.12 2jra s ARG 56 CO 0.20 0.57 0.05 -1.17 -0.81 0.00 0.00 175.30 174.14 2jra s LEU 57 N -0.68 3.81 0.00 -0.88 2.96 -0.47 -1.06 118.68 122.37 2jra s LEU 57 Ca 0.10 0.19 -0.10 0.00 -0.22 0.00 0.00 54.13 54.10 2jra s LEU 57 Cb -0.10 -2.02 0.19 0.00 0.50 0.00 0.00 46.19 44.76 2jra s LEU 57 CO -0.00 0.34 1.15 0.35 -1.32 0.00 0.00 176.35 176.87 2jra n THR 58 N 1.76 0.00 0.34 3.68 -2.24 -0.05 -4.84 114.28 112.93 2jra n THR 58 Ca -0.17 -1.12 -0.16 0.00 -2.27 0.00 0.00 64.05 60.33 2jra n THR 58 Cb 0.53 -1.32 -0.08 0.00 -2.10 0.00 0.00 70.33 67.36 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 -1.27 -0.99 0.00 3.42 0.02 -1.99 -3.43 113.55 109.31 2jra h SER 59 Ca -0.37 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2jra h SER 59 Cb 1.13 0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.96 2jra h SER 59 CO 0.30 -0.60 -0.37 0.00 -1.14 0.00 0.00 176.83 175.03 2jra n GLN 60 N -4.85 2.52 0.00 3.45 1.13 -1.26 -5.00 117.38 113.37 2jra n GLN 60 Ca -0.12 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.94 2jra n GLN 60 Cb 0.40 -0.68 0.00 0.00 0.11 0.00 0.00 30.24 30.06 2jra n GLN 60 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 2jra n ASN 61 N -0.83 0.00 -0.53 1.08 0.23 -1.26 -5.04 115.26 108.91 2jra n ASN 61 Ca 0.00 0.62 0.00 0.00 -0.53 0.00 0.00 54.58 54.67 2jra n ASN 61 Cb 0.10 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.37 2jra n ASN 61 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 2jra n LYS 62 N -1.80 0.00 -4.22 -3.83 2.85 -1.26 -5.02 118.16 104.87 2jra n LYS 62 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 2jra n LYS 62 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 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 2.29 0.20 -5.58 2.34 -1.26 -0.87 118.68 115.79 2jra s LEU 63 Ca 0.00 -1.11 -0.07 0.00 0.06 0.00 0.00 54.13 53.02 2jra s LEU 63 Cb 0.00 -0.11 -0.02 0.00 -0.56 0.00 0.00 46.19 45.50 2jra s LEU 63 CO 0.00 -0.50 0.27 0.27 -1.06 0.00 0.00 176.35 175.33 2jra s ILE 64 N -3.59 0.03 -0.20 1.48 -4.36 -0.22 -4.99 121.20 109.34 2jra s ILE 64 Ca 0.20 -1.65 0.00 0.00 -0.26 0.00 0.00 60.65 58.94 2jra s ILE 64 Cb 0.05 -2.19 0.05 0.00 1.25 0.00 0.00 42.46 41.62 2jra s ILE 64 CO 0.01 -0.12 -0.06 -0.22 0.24 0.00 0.00 174.94 174.79 2jra s LEU 65 N -3.06 2.11 0.25 0.37 2.96 -1.26 -0.96 118.68 119.09 2jra s LEU 65 Ca 0.27 -0.91 0.01 0.00 -0.22 0.00 0.00 54.13 53.28 2jra s LEU 65 Cb 0.04 -1.08 -0.03 0.00 0.50 0.00 0.00 46.19 45.61 2jra s LEU 65 CO 0.07 -0.19 0.21 0.28 -1.32 0.00 0.00 176.35 175.40 2jra s THR 66 N 1.49 0.00 0.00 3.68 -1.32 -0.22 -4.95 115.64 114.32 2jra s THR 66 Ca -0.02 -1.95 0.00 0.00 -1.21 0.00 0.00 61.69 58.51 2jra s THR 66 Cb -0.17 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.33 2jra s THR 66 CO -0.07 0.00 0.00 2.29 -2.21 0.00 0.00 174.62 174.63