#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 0.00 0.03 3.17 0.00 -1.26 -4.96 117.12 114.10 2jra n MET 2 Ca 0.00 -0.41 0.04 0.00 -0.00 0.00 0.00 57.70 57.34 2jra n MET 2 Cb 0.00 0.04 0.45 0.00 0.00 0.00 0.00 33.22 33.71 2jra n MET 2 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2jra h THR 3 N 5.33 1.10 -1.57 1.12 2.02 -2.14 -3.33 112.91 115.44 2jra h THR 3 Ca -0.13 -0.19 -0.65 0.00 0.77 0.00 0.00 66.41 66.21 2jra h THR 3 Cb 1.17 0.59 -0.13 0.00 -1.74 0.00 0.00 68.15 68.04 2jra h THR 3 CO -0.06 0.10 1.37 0.00 0.37 0.00 0.00 175.52 177.30 2jra s ALA 4 N -5.42 3.09 -0.29 6.16 0.00 -1.26 -4.73 121.76 119.31 2jra s ALA 4 Ca -0.08 -2.58 0.13 0.00 0.00 0.00 0.00 51.96 49.42 2jra s ALA 4 Cb 0.17 -4.36 0.47 0.00 0.00 0.00 0.00 23.12 19.40 2jra s ALA 4 CO 0.72 -3.32 1.15 0.43 0.00 0.00 0.00 175.76 174.75 2jra n SER 5 N 7.84 3.68 -4.78 0.00 7.64 -1.25 -5.09 113.62 121.66 2jra n SER 5 Ca 0.32 -3.14 -0.31 0.00 1.01 0.00 0.00 58.87 56.75 2jra n SER 5 Cb 0.49 -0.40 0.07 0.00 -1.01 0.00 0.00 64.21 63.36 2jra n SER 5 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jra s ASP 6 N -3.65 4.87 -1.07 6.43 2.15 -1.26 -4.91 116.67 119.23 2jra s ASP 6 Ca 0.42 1.79 -0.22 0.00 0.43 0.00 0.00 52.55 54.96 2jra s ASP 6 Cb 0.38 -2.52 0.02 0.00 -0.30 0.00 0.00 42.92 40.51 2jra s ASP 6 CO -0.00 -1.79 1.64 -0.60 -0.17 0.00 0.00 175.17 174.25 2jra s ARG 7 N -4.81 3.39 -0.82 4.34 6.06 -1.26 -4.92 118.95 120.93 2jra s ARG 7 Ca 0.61 -1.15 -0.25 0.00 -2.50 0.00 0.00 55.73 52.44 2jra s ARG 7 Cb -0.17 -5.33 -0.05 0.00 0.06 0.00 0.00 34.95 29.46 2jra s ARG 7 CO 0.53 -2.58 1.97 -0.51 -2.50 0.00 0.00 175.30 172.21 2jra s LEU 8 N 6.27 3.18 0.00 -0.88 1.02 -1.26 -3.06 118.68 123.95 2jra s LEU 8 Ca 0.54 -0.38 0.00 0.00 0.02 0.00 0.00 54.13 54.31 2jra s LEU 8 Cb -0.00 -2.55 0.00 0.00 0.02 0.00 0.00 46.19 43.65 2jra s LEU 8 CO -0.03 -2.74 0.00 0.61 0.02 0.00 0.00 176.35 174.21 2jra n GLY 9 N 6.59 0.62 3.24 -3.19 0.00 -1.26 -5.10 105.19 106.08 2jra n GLY 9 Ca 0.36 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.96 2jra n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jra s ALA 10 N -0.71 3.78 -0.24 4.61 0.00 -1.17 -5.04 121.76 122.98 2jra s ALA 10 Ca 0.00 -3.10 -0.02 0.00 0.00 0.00 0.00 51.96 48.84 2jra s ALA 10 Cb 0.00 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 20.02 2jra s ALA 10 CO 0.00 -2.14 -0.06 0.16 0.00 0.00 0.00 175.76 173.73 2jra s ASP 11 N 1.94 4.30 0.71 0.00 -4.77 -1.26 -5.11 116.67 112.48 2jra s ASP 11 Ca 0.14 -0.76 -0.14 0.00 -3.30 0.00 0.00 52.55 48.49 2jra s ASP 11 Cb -0.18 -1.68 0.03 0.00 -1.09 0.00 0.00 42.92 40.00 2jra s ASP 11 CO -0.05 -0.11 1.15 -2.84 0.70 0.00 0.00 175.17 174.02 2jra s PRO 12 N 1.36 2.38 -0.15 2.11 0.02 -1.26 -5.06 135.00 134.40 2jra s PRO 12 Ca 0.02 1.51 -0.06 0.00 0.02 0.00 0.00 61.00 62.49 2jra s PRO 12 Cb -0.16 -1.89 0.07 0.00 0.02 0.00 0.00 34.50 32.55 2jra s PRO 12 CO -0.04 -1.60 0.32 -0.08 -0.33 0.00 0.00 177.00 175.27 2jra s THR 13 N -2.29 -0.47 -0.30 0.99 -1.32 -1.26 -5.11 115.64 105.88 2jra s THR 13 Ca 0.69 0.23 0.04 0.00 -1.21 0.00 0.00 61.69 61.44 2jra s THR 13 Cb -0.23 -0.52 0.18 0.00 -1.51 0.00 0.00 72.50 70.41 2jra s THR 13 CO 0.45 0.10 0.50 -1.58 -2.21 0.00 0.00 174.62 171.88 2jra s GLN 14 N 2.40 0.52 -0.14 7.08 -0.44 -1.26 -5.01 119.66 122.81 2jra s GLN 14 Ca -0.01 0.22 0.15 0.00 -2.50 0.00 0.00 55.36 53.22 2jra s GLN 14 Cb -0.12 -0.06 0.33 0.00 -1.64 0.00 0.00 33.01 31.51 2jra s GLN 14 CO -0.10 -1.06 1.16 0.00 0.50 0.00 0.00 175.29 175.79 2jra n ALA 15 N 5.25 2.81 -1.54 1.58 0.00 -1.26 -5.01 120.51 122.34 2jra n ALA 15 Ca 0.04 -2.71 -0.21 0.00 0.00 0.00 0.00 53.44 50.56 2jra n ALA 15 Cb 0.52 -0.42 -0.09 0.00 0.00 0.00 0.00 19.45 19.46 2jra n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jra n ALA 16 N -0.97 0.55 -2.70 0.00 0.00 -1.26 -4.90 120.51 111.22 2jra n ALA 16 Ca 0.15 -1.15 -0.37 0.00 0.00 0.00 0.00 53.44 52.07 2jra n ALA 16 Cb 0.72 -3.08 -0.07 0.00 0.00 0.00 0.00 19.45 17.02 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 9.38 6.43 -0.39 0.00 0.01 -1.26 -5.03 113.70 122.83 2jra s SER 17 Ca 1.03 0.50 0.05 0.00 1.31 0.00 0.00 55.95 58.83 2jra s SER 17 Cb -0.32 -2.20 0.16 0.00 0.21 0.00 0.00 66.02 63.88 2jra s SER 17 CO 0.22 0.04 0.46 -0.55 0.41 0.00 0.00 173.24 173.81 2jra s SER 18 N 0.70 0.35 0.34 2.44 0.15 -1.26 -5.16 113.70 111.27 2jra s SER 18 Ca 0.17 -1.45 0.00 0.00 0.70 0.00 0.00 55.95 55.37 2jra s SER 18 Cb -0.14 0.95 0.00 0.00 -1.71 0.00 0.00 66.02 65.12 2jra s SER 18 CO 0.06 -0.22 0.00 -0.81 1.20 0.00 0.00 173.24 173.46 2jra n PRO 19 N 4.16 0.92 0.00 5.44 -0.04 -1.26 -5.06 135.00 139.15 2jra n PRO 19 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2jra n PRO 19 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 2jra n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jra n GLY 20 N 5.00 -2.02 7.00 0.55 0.00 -1.26 -4.89 105.19 109.57 2jra n GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.28 2.83 3.82 -0.02 0.00 -1.26 -4.38 105.19 105.90 2jra n GLY 21 Ca 0.00 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.61 3.68 0.02 4.61 0.00 -1.26 -5.09 121.76 122.12 2jra s ALA 22 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 51.67 2jra s ALA 22 Cb 0.00 -2.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.73 2jra s ALA 22 CO 0.00 0.41 -0.02 -0.98 0.00 0.00 0.00 175.76 175.16 2jra s ARG 23 N -0.73 0.36 -0.19 0.00 1.70 -1.26 -5.11 118.95 113.70 2jra s ARG 23 Ca 0.22 -0.67 -0.07 0.00 -0.47 0.00 0.00 55.73 54.74 2jra s ARG 23 Cb -0.16 0.13 -0.04 0.00 -0.57 0.00 0.00 34.95 34.32 2jra s ARG 23 CO 0.11 -0.06 0.05 0.00 -1.08 0.00 0.00 175.30 174.32 2jra s ALA 24 N -1.76 3.27 -0.04 7.88 0.00 -1.26 -5.09 121.76 124.76 2jra s ALA 24 Ca -0.13 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.04 2jra s ALA 24 Cb -0.08 -1.90 -0.02 0.00 0.00 0.00 0.00 23.12 21.13 2jra s ALA 24 CO -0.02 0.01 -0.26 0.14 0.00 0.00 0.00 175.76 175.64 2jra s VAL 25 N 0.69 2.06 0.18 0.00 -7.23 -1.26 -5.12 120.40 109.72 2jra s VAL 25 Ca 0.02 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 2jra s VAL 25 Cb -0.13 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 2jra s VAL 25 CO 0.02 0.58 0.35 -0.94 -0.31 0.00 0.00 175.10 174.79 2jra s SER 26 N -0.42 6.37 -0.13 4.85 1.04 -1.26 -5.10 113.70 119.05 2jra s SER 26 Ca 0.04 0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.82 2jra s SER 26 Cb -0.12 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 64.03 2jra s SER 26 CO 0.01 -0.00 -0.21 -0.63 0.98 0.00 0.00 173.24 173.39 2jra s ILE 27 N -1.81 2.18 -0.69 -1.02 1.09 -1.26 -4.55 121.20 115.14 2jra s ILE 27 Ca 0.37 -0.95 -0.17 0.00 -1.10 0.00 0.00 60.65 58.80 2jra s ILE 27 Cb -0.11 -1.87 0.15 0.00 -1.06 0.00 0.00 42.46 39.57 2jra s ILE 27 CO 0.29 0.55 0.73 0.68 -0.10 0.00 0.00 174.94 177.08 2jra s VAL 28 N 0.67 5.14 0.00 2.92 -7.23 0.08 -4.77 120.40 117.21 2jra s VAL 28 Ca -0.10 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 2jra s VAL 28 Cb -0.16 -4.49 0.00 0.00 0.56 0.00 0.00 36.38 32.29 2jra s VAL 28 CO 0.01 -1.09 0.00 0.61 -0.31 0.00 0.00 175.10 174.33 2jra n GLY 29 N 4.91 2.20 0.24 2.32 0.00 -1.26 -1.97 105.19 111.62 2jra n GLY 29 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 4.45 0.00 -4.11 1.61 6.94 -1.26 -5.09 115.26 117.79 2jra n ASN 30 Ca 0.00 -1.28 -0.32 0.00 -0.02 0.00 0.00 54.58 52.96 2jra n ASN 30 Cb 0.00 -0.06 -0.16 0.00 -2.36 0.00 0.00 39.78 37.20 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 2.80 0.21 -3.83 0.74 -0.83 -5.12 119.66 113.63 2jra s GLN 31 Ca 0.00 -0.76 0.06 0.00 0.05 0.00 0.00 55.36 54.70 2jra s GLN 31 Cb 0.00 -2.38 -0.04 0.00 1.10 0.00 0.00 33.01 31.69 2jra s GLN 31 CO 0.00 -0.14 0.21 -1.50 -0.55 0.00 0.00 175.29 173.31 2jra s ILE 32 N 1.16 4.67 -0.15 -2.34 2.07 -1.26 -0.74 121.20 124.61 2jra s ILE 32 Ca 0.00 -1.17 -0.05 0.00 -1.41 0.00 0.00 60.65 58.03 2jra s ILE 32 Cb -0.14 -3.47 -0.03 0.00 0.13 0.00 0.00 42.46 38.95 2jra s ILE 32 CO -0.08 -0.24 0.02 -0.62 -1.91 0.00 0.00 174.94 172.10 2jra s ASP 33 N -3.56 5.31 0.58 4.50 2.15 -1.26 -4.99 116.67 119.39 2jra s ASP 33 Ca 0.33 0.04 0.30 0.00 0.43 0.00 0.00 52.55 53.64 2jra s ASP 33 Cb -0.09 -1.81 1.79 0.00 -0.30 0.00 0.00 42.92 42.51 2jra s ASP 33 CO 0.25 0.22 2.23 -1.28 -0.17 0.00 0.00 175.17 176.43 2jra h SER 34 N 6.31 0.00 0.02 -0.34 0.87 -2.00 -1.22 113.55 117.20 2jra h SER 34 Ca -0.39 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.06 2jra h SER 34 Cb 1.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2jra h SER 34 CO 0.64 0.02 -0.36 -0.09 -0.53 0.00 0.00 176.83 176.51 2jra h ARG 35 N 0.00 0.46 -0.11 2.24 1.12 -1.94 -1.05 114.38 115.11 2jra h ARG 35 Ca -0.00 -0.21 0.02 0.00 -1.11 0.00 0.00 59.98 58.67 2jra h ARG 35 Cb 0.05 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 29.99 2jra h ARG 35 CO 0.00 0.76 0.01 0.93 -3.11 0.00 0.00 179.97 178.56 2jra h GLU 36 N 0.39 0.05 -0.08 0.20 4.39 -1.64 0.78 114.58 118.67 2jra h GLU 36 Ca 0.04 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 2jra h GLU 36 Cb 0.82 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2jra h GLU 36 CO 0.07 0.03 -0.09 -0.07 -1.16 0.00 0.00 179.01 177.79 2jra h LEU 37 N 0.05 0.21 -3.85 1.33 3.38 -1.56 -3.25 115.31 111.62 2jra h LEU 37 Ca 0.05 -0.51 -0.46 0.00 0.09 0.00 0.00 57.88 57.06 2jra h LEU 37 Cb 0.05 -0.06 -0.27 0.00 0.09 0.00 0.00 40.66 40.47 2jra h LEU 37 CO -0.08 0.68 0.58 0.49 0.09 0.00 0.00 178.44 180.20 2jra n PHE 38 N -4.68 2.83 0.03 1.13 3.72 -0.41 -4.53 117.46 115.56 2jra n PHE 38 Ca -0.07 -1.70 0.13 0.00 -0.05 0.00 0.00 57.45 55.76 2jra n PHE 38 Cb 0.33 -0.88 0.59 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 1.12 0.88 0.00 4.37 1.03 -0.88 -3.36 112.91 116.07 2jra h THR 39 Ca 0.56 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 66.90 2jra h THR 39 Cb 2.71 0.69 0.00 0.00 -1.07 0.00 0.00 68.15 70.48 2jra h THR 39 CO 1.01 0.03 -0.52 0.52 -0.01 0.00 0.00 175.52 176.54 2jra n VAL 40 N -4.46 0.00 -1.46 0.00 0.31 -1.26 -5.09 118.33 106.37 2jra n VAL 40 Ca 0.06 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.10 2jra n VAL 40 Cb 0.36 -0.83 0.17 0.00 -0.91 0.00 0.00 33.84 32.64 2jra n VAL 40 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2jra s ASP 41 N -4.62 2.75 0.00 4.52 1.01 -1.26 -4.99 116.67 114.08 2jra s ASP 41 Ca 0.00 0.79 0.01 0.00 0.71 0.00 0.00 52.55 54.06 2jra s ASP 41 Cb 0.00 -1.20 -0.00 0.00 1.01 0.00 0.00 42.92 42.72 2jra s ASP 41 CO 0.00 -3.01 0.18 -1.14 0.21 0.00 0.00 175.17 171.42 2jra n ARG 42 N -4.04 4.48 -3.76 8.23 0.63 -1.26 -4.63 116.66 116.32 2jra n ARG 42 Ca 0.09 -0.16 -0.13 0.00 -0.92 0.00 0.00 57.85 56.73 2jra n ARG 42 Cb 0.59 -0.68 -0.11 0.00 0.45 0.00 0.00 32.46 32.71 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 -0.80 0.42 0.04 -0.14 2.12 -1.26 -1.58 118.70 117.51 2jra s GLU 43 Ca 0.01 0.37 0.05 0.00 0.36 0.00 0.00 54.97 55.76 2jra s GLU 43 Cb 0.01 0.20 -0.02 0.00 0.26 0.00 0.00 34.13 34.57 2jra s GLU 43 CO 0.03 -0.06 -0.16 0.42 -0.54 0.00 0.00 175.26 174.95 2jra s ILE 44 N -0.03 1.24 -0.06 -3.70 -1.09 0.11 -4.99 121.20 112.69 2jra s ILE 44 Ca -0.02 -1.08 -0.04 0.00 -2.23 0.00 0.00 60.65 57.28 2jra s ILE 44 Cb -0.03 -1.12 -0.04 0.00 -1.58 0.00 0.00 42.46 39.69 2jra s ILE 44 CO 0.01 0.03 0.16 -0.69 -1.23 0.00 0.00 174.94 173.22 2jra s VAL 45 N -0.88 5.44 -0.26 2.92 1.01 -1.26 0.26 120.40 127.63 2jra s VAL 45 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 2jra s VAL 45 Cb -0.08 -3.46 0.08 0.00 0.00 0.00 0.00 36.38 32.91 2jra s VAL 45 CO 0.02 0.46 0.03 -0.63 0.00 0.00 0.00 175.10 174.97 2jra s ILE 46 N -1.19 1.12 0.06 2.22 1.01 0.35 -4.91 121.20 119.85 2jra s ILE 46 Ca 0.22 -1.23 -0.25 0.00 0.00 0.00 0.00 60.65 59.39 2jra s ILE 46 Cb -0.12 -1.65 -0.06 0.00 0.01 0.00 0.00 42.46 40.64 2jra s ILE 46 CO 0.12 -0.38 0.77 0.00 0.00 0.00 0.00 174.94 175.45 2jra s ALA 47 N 1.54 3.38 -0.31 9.38 0.00 -1.26 -0.33 121.76 134.15 2jra s ALA 47 Ca 0.02 0.29 -0.01 0.00 0.00 0.00 0.00 51.96 52.27 2jra s ALA 47 Cb -0.18 -2.99 0.13 0.00 0.00 0.00 0.00 23.12 20.08 2jra s ALA 47 CO -0.14 0.09 0.24 -1.58 0.00 0.00 0.00 175.76 174.38 2jra s HIS 48 N -0.19 -0.00 0.00 0.00 5.04 -0.14 -4.98 115.29 115.02 2jra s HIS 48 Ca 0.38 -0.74 0.00 0.00 -1.54 0.00 0.00 55.06 53.16 2jra s HIS 48 Cb -0.21 -0.66 0.00 0.00 0.04 0.00 0.00 32.58 31.75 2jra s HIS 48 CO 0.23 -0.89 0.00 0.41 -2.34 0.00 0.00 174.74 172.16 2jra n GLY 49 N 4.90 2.32 0.08 1.59 0.00 -1.26 -2.49 105.19 110.34 2jra n GLY 49 Ca 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 46.02 45.77 2jra n GLY 49 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jra n ASP 50 N 9.52 0.54 -4.99 1.61 2.03 -1.26 -4.97 116.55 119.03 2jra n ASP 50 Ca 0.00 0.24 -0.19 0.00 0.52 0.00 0.00 54.79 55.36 2jra n ASP 50 Cb 0.00 0.61 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 2jra n ASP 50 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jra s ASP 51 N -5.54 5.90 -0.01 1.67 2.15 -1.04 -5.13 116.67 114.68 2jra s ASP 51 Ca -0.05 -0.17 -0.02 0.00 0.43 0.00 0.00 52.55 52.74 2jra s ASP 51 Cb 0.09 -1.17 -0.00 0.00 -0.30 0.00 0.00 42.92 41.54 2jra s ASP 51 CO 0.83 -0.52 0.04 -0.13 -0.17 0.00 0.00 175.17 175.22 2jra s ARG 52 N -4.25 0.16 0.46 4.34 0.52 -1.26 -0.96 118.95 117.96 2jra s ARG 52 Ca 0.47 -0.13 0.04 0.00 -0.52 0.00 0.00 55.73 55.59 2jra s ARG 52 Cb -0.10 0.06 -0.04 0.00 0.52 0.00 0.00 34.95 35.40 2jra s ARG 52 CO 0.32 -0.03 0.06 0.71 0.02 0.00 0.00 175.30 176.38 2jra s TYR 53 N -0.45 2.19 -0.21 -0.53 1.51 0.55 -4.92 117.35 115.49 2jra s TYR 53 Ca -0.05 -0.79 -0.03 0.00 -1.01 0.00 0.00 57.07 55.19 2jra s TYR 53 Cb -0.03 -1.74 0.07 0.00 -0.11 0.00 0.00 41.96 40.14 2jra s TYR 53 CO -0.00 0.25 0.06 1.03 -1.11 0.00 0.00 175.55 175.78 2jra s ARG 54 N -3.85 0.52 -0.26 -0.62 0.52 0.12 -0.50 118.95 114.88 2jra s ARG 54 Ca 0.23 -0.44 -0.24 0.00 -0.52 0.00 0.00 55.73 54.77 2jra s ARG 54 Cb 0.05 -1.98 -0.00 0.00 0.52 0.00 0.00 34.95 33.53 2jra s ARG 54 CO 0.12 -0.71 0.80 -1.17 0.02 0.00 0.00 175.30 174.37 2jra s LEU 55 N 1.90 4.08 0.00 2.53 0.20 0.14 -1.04 118.68 126.49 2jra s LEU 55 Ca 0.01 0.92 0.08 0.00 0.69 0.00 0.00 54.13 55.83 2jra s LEU 55 Cb -0.17 -3.13 -0.02 0.00 -0.43 0.00 0.00 46.19 42.43 2jra s LEU 55 CO -0.12 -0.53 -0.24 -0.60 -0.29 0.00 0.00 176.35 174.57 2jra s ARG 56 N 2.85 2.04 -0.17 1.98 3.52 -0.23 0.06 118.95 129.00 2jra s ARG 56 Ca 0.34 -0.97 -0.05 0.00 -0.13 0.00 0.00 55.73 54.91 2jra s ARG 56 Cb -0.15 -2.06 -0.03 0.00 -1.56 0.00 0.00 34.95 31.15 2jra s ARG 56 CO 0.09 0.55 0.00 -1.17 -0.81 0.00 0.00 175.30 173.96 2jra s LEU 57 N -0.91 3.45 0.00 -0.88 0.20 -0.61 -0.73 118.68 119.20 2jra s LEU 57 Ca 0.11 -0.06 -0.14 0.00 0.69 0.00 0.00 54.13 54.73 2jra s LEU 57 Cb -0.10 -1.85 0.19 0.00 -0.43 0.00 0.00 46.19 44.00 2jra s LEU 57 CO 0.01 0.16 1.14 0.35 -0.29 0.00 0.00 176.35 177.71 2jra n THR 58 N 3.62 0.00 -1.81 3.68 -2.24 0.36 -4.86 114.28 113.03 2jra n THR 58 Ca -0.17 -0.85 -0.29 0.00 -2.27 0.00 0.00 64.05 60.47 2jra n THR 58 Cb 0.52 -1.57 -0.07 0.00 -2.10 0.00 0.00 70.33 67.11 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 -3.73 2.68 0.00 3.42 7.64 -1.26 -4.14 113.62 118.23 2jra n SER 59 Ca 0.14 -2.66 0.00 0.00 1.01 0.00 0.00 58.87 57.36 2jra n SER 59 Cb 0.50 -1.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 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 8.07 0.00 0.31 1.43 7.27 -1.26 -4.78 117.38 128.42 2jra n GLN 60 Ca 0.45 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 57.37 2jra n GLN 60 Cb 0.46 -1.79 -0.08 0.00 2.41 0.00 0.00 30.24 31.23 2jra n GLN 60 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 2jra h ASN 61 N 0.00 -0.67 -1.41 1.69 -0.73 -1.98 -3.49 115.58 108.99 2jra h ASN 61 Ca 0.00 -0.03 0.02 0.00 1.87 0.00 0.00 56.30 58.15 2jra h ASN 61 Cb 0.00 0.17 -0.00 0.00 0.27 0.00 0.00 38.32 38.76 2jra h ASN 61 CO 0.00 -0.35 0.13 2.29 -0.37 0.00 0.00 177.43 179.13 2jra n LYS 62 N -5.36 0.28 -4.15 6.67 2.85 -1.26 -5.03 118.16 112.17 2jra n LYS 62 Ca -0.12 -0.58 -0.10 0.00 -1.05 0.00 0.00 58.31 56.46 2jra n LYS 62 Cb 0.35 0.75 -0.10 0.00 -0.65 0.00 0.00 35.03 35.37 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 2.50 0.20 -5.58 2.34 -1.26 -0.49 118.68 116.38 2jra s LEU 63 Ca 0.06 -1.01 -0.08 0.00 0.06 0.00 0.00 54.13 53.16 2jra s LEU 63 Cb -0.01 0.01 -0.02 0.00 -0.56 0.00 0.00 46.19 45.61 2jra s LEU 63 CO 0.03 -0.51 0.30 0.27 -1.06 0.00 0.00 176.35 175.38 2jra s ILE 64 N -3.71 0.03 -0.23 1.48 -5.25 0.09 -4.98 121.20 108.63 2jra s ILE 64 Ca 0.11 -1.56 0.02 0.00 -0.99 0.00 0.00 60.65 58.22 2jra s ILE 64 Cb 0.06 -2.12 0.05 0.00 2.95 0.00 0.00 42.46 43.40 2jra s ILE 64 CO -0.06 -0.15 -0.10 -0.22 -1.79 0.00 0.00 174.94 172.62 2jra s LEU 65 N -3.03 2.78 0.34 0.37 2.96 -1.26 -1.07 118.68 119.78 2jra s LEU 65 Ca 0.24 -1.13 0.04 0.00 -0.22 0.00 0.00 54.13 53.07 2jra s LEU 65 Cb 0.03 -1.37 -0.03 0.00 0.50 0.00 0.00 46.19 45.32 2jra s LEU 65 CO 0.06 -0.17 0.17 0.28 -1.32 0.00 0.00 176.35 175.36 2jra s THR 66 N 1.27 0.39 0.00 3.68 -1.32 -0.21 -4.95 115.64 114.50 2jra s THR 66 Ca -0.05 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.43 2jra s THR 66 Cb -0.18 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 2jra s THR 66 CO -0.07 0.00 0.00 2.29 -2.21 0.00 0.00 174.62 174.63