#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 1.06 0.56 0.03 1.00 -1.26 -5.13 119.30 115.57 2jra s MET 2 Ca 0.00 -1.86 -0.17 0.00 0.00 0.00 0.00 55.69 53.66 2jra s MET 2 Cb 0.00 -1.95 -0.05 0.00 0.00 0.00 0.00 34.83 32.83 2jra s MET 2 CO 0.00 -1.21 1.05 -0.08 0.00 0.00 0.00 175.02 174.78 2jra s THR 3 N 0.46 3.87 -0.39 2.05 -1.32 -1.26 -4.98 115.64 114.07 2jra s THR 3 Ca 0.20 0.95 -0.29 0.00 -1.21 0.00 0.00 61.69 61.34 2jra s THR 3 Cb -0.20 -3.43 0.02 0.00 -1.51 0.00 0.00 72.50 67.38 2jra s THR 3 CO -0.03 -0.46 1.17 0.00 -2.21 0.00 0.00 174.62 173.10 2jra s ALA 4 N -2.35 3.29 0.18 11.08 0.00 -1.26 -4.99 121.76 127.70 2jra s ALA 4 Ca 0.64 -0.21 -0.32 0.00 0.00 0.00 0.00 51.96 52.07 2jra s ALA 4 Cb -0.16 -3.81 -0.11 0.00 0.00 0.00 0.00 23.12 19.05 2jra s ALA 4 CO 0.32 -1.94 1.63 -1.54 0.00 0.00 0.00 175.76 174.23 2jra s SER 5 N 2.40 6.50 0.80 0.00 1.04 -1.26 -4.96 113.70 118.23 2jra s SER 5 Ca 0.50 2.71 -0.13 0.00 0.48 0.00 0.00 55.95 59.51 2jra s SER 5 Cb -0.11 -2.59 0.08 0.00 0.10 0.00 0.00 66.02 63.50 2jra s SER 5 CO 0.25 -0.89 1.18 1.51 0.98 0.00 0.00 173.24 176.28 2jra s ASP 6 N 1.23 3.71 0.05 7.02 -4.77 -1.26 -5.04 116.67 117.61 2jra s ASP 6 Ca 0.72 2.28 -0.01 0.00 -3.30 0.00 0.00 52.55 52.25 2jra s ASP 6 Cb -0.46 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 38.79 2jra s ASP 6 CO 0.32 -2.58 0.08 -2.11 0.70 0.00 0.00 175.17 171.57 2jra n ARG 7 N -3.33 0.11 -1.01 2.11 1.85 -1.26 -5.18 116.66 109.96 2jra n ARG 7 Ca 0.13 -0.40 -0.19 0.00 -1.00 0.00 0.00 57.85 56.39 2jra n ARG 7 Cb 0.51 0.40 0.14 0.00 -1.05 0.00 0.00 32.46 32.46 2jra n ARG 7 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2jra n LEU 8 N 0.00 0.00 0.00 2.89 4.77 -1.26 -4.69 117.00 118.71 2jra n LEU 8 Ca -0.00 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 2jra n LEU 8 Cb 0.09 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 2jra n LEU 8 CO 0.04 -1.34 0.00 0.61 -1.33 0.00 0.00 177.39 175.37 2jra n GLY 9 N -1.13 1.93 0.15 -0.72 0.00 -1.26 -4.90 105.19 99.25 2jra n GLY 9 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 2jra n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jra h ALA 10 N 0.00 1.00 -2.31 4.61 0.00 -2.07 -3.45 119.26 117.04 2jra h ALA 10 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 2jra h ALA 10 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2jra h ALA 10 CO 0.00 0.00 0.23 0.16 0.00 0.00 0.00 179.25 179.64 2jra s ASP 11 N -5.04 7.00 -0.03 0.00 -4.77 -1.26 -5.03 116.67 107.55 2jra s ASP 11 Ca 0.09 1.55 -0.30 0.00 -3.30 0.00 0.00 52.55 50.59 2jra s ASP 11 Cb 0.10 -2.48 -0.04 0.00 -1.09 0.00 0.00 42.92 39.41 2jra s ASP 11 CO 0.60 -0.17 1.27 -2.16 0.70 0.00 0.00 175.17 175.41 2jra s PRO 12 N -2.63 4.33 -0.00 2.11 0.04 -1.26 -4.90 135.00 132.68 2jra s PRO 12 Ca 0.53 1.79 0.07 0.00 0.04 0.00 0.00 61.00 63.43 2jra s PRO 12 Cb -0.13 -3.55 0.21 0.00 0.04 0.00 0.00 34.50 31.07 2jra s PRO 12 CO 0.18 -0.48 1.17 0.25 0.04 0.00 0.00 177.00 178.16 2jra n THR 13 N 4.59 0.32 -1.73 1.26 -2.24 -1.26 -4.95 114.28 110.28 2jra n THR 13 Ca 0.12 -0.32 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 2jra n THR 13 Cb 0.45 0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 68.82 2jra n THR 13 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2jra n GLN 14 N 0.19 2.44 -3.83 -0.78 7.27 -1.26 -5.02 117.38 116.40 2jra n GLN 14 Ca 0.08 0.86 -0.12 0.00 0.07 0.00 0.00 57.00 57.89 2jra n GLN 14 Cb 0.20 -2.56 -0.12 0.00 2.41 0.00 0.00 30.24 30.17 2jra n GLN 14 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jra s ALA 15 N -0.50 -0.38 -0.34 1.69 0.00 -1.26 -5.14 121.76 115.83 2jra s ALA 15 Ca 0.61 0.34 -0.14 0.00 0.00 0.00 0.00 51.96 52.77 2jra s ALA 15 Cb -0.54 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 2jra s ALA 15 CO 0.55 -0.10 0.28 0.00 0.00 0.00 0.00 175.76 176.49 2jra s ALA 16 N -0.20 3.50 0.87 0.00 0.00 -1.26 -5.08 121.76 119.60 2jra s ALA 16 Ca -0.03 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.62 2jra s ALA 16 Cb -0.02 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.38 2jra s ALA 16 CO 0.00 -0.99 0.00 0.45 0.00 0.00 0.00 175.76 175.23 2jra n SER 17 N 5.20 0.00 -4.17 0.00 2.88 -1.26 -5.04 113.62 111.23 2jra n SER 17 Ca -0.11 -1.00 -0.40 0.00 -1.33 0.00 0.00 58.87 56.03 2jra n SER 17 Cb 0.50 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.88 2jra n SER 17 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2jra s SER 18 N -1.00 5.66 0.46 -3.46 0.01 -1.26 -5.08 113.70 109.02 2jra s SER 18 Ca 0.00 -2.48 -0.23 0.00 1.31 0.00 0.00 55.95 54.55 2jra s SER 18 Cb 0.00 -1.96 -0.08 0.00 0.21 0.00 0.00 66.02 64.19 2jra s SER 18 CO 0.00 -0.52 1.14 -2.84 0.41 0.00 0.00 173.24 171.44 2jra s PRO 19 N 0.50 3.79 0.00 12.44 0.02 -1.26 -5.04 135.00 145.45 2jra s PRO 19 Ca 0.13 1.71 0.00 0.00 0.02 0.00 0.00 61.00 62.86 2jra s PRO 19 Cb -0.20 -2.39 0.00 0.00 0.02 0.00 0.00 34.50 31.93 2jra s PRO 19 CO -0.04 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.53 2jra n GLY 20 N 0.39 0.38 0.00 0.52 0.00 -1.26 -5.15 105.19 100.06 2jra n GLY 20 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 3.79 4.48 3.46 -0.02 0.00 -1.26 -5.09 105.19 110.55 2jra n GLY 21 Ca 0.00 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.80 3.22 0.20 4.61 0.00 -1.26 -5.03 121.76 122.69 2jra s ALA 22 Ca 0.00 -1.73 -0.13 0.00 0.00 0.00 0.00 51.96 50.10 2jra s ALA 22 Cb 0.00 -3.69 -0.07 0.00 0.00 0.00 0.00 23.12 19.35 2jra s ALA 22 CO 0.00 -2.48 0.58 -0.98 0.00 0.00 0.00 175.76 172.88 2jra s ARG 23 N 3.59 3.94 -0.14 0.00 1.70 -1.26 -5.09 118.95 121.69 2jra s ARG 23 Ca 0.21 0.46 -0.03 0.00 -0.47 0.00 0.00 55.73 55.91 2jra s ARG 23 Cb -0.17 -2.78 -0.03 0.00 -0.57 0.00 0.00 34.95 31.40 2jra s ARG 23 CO 0.12 0.39 -0.05 0.00 -1.08 0.00 0.00 175.30 174.68 2jra s ALA 24 N -1.64 2.98 0.01 7.88 0.00 -1.26 -5.11 121.76 124.62 2jra s ALA 24 Ca 0.43 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.63 2jra s ALA 24 Cb -0.13 -1.48 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 2jra s ALA 24 CO 0.20 0.28 -0.23 0.14 0.00 0.00 0.00 175.76 176.15 2jra s VAL 25 N 0.15 1.81 0.20 0.00 -7.23 -1.26 -5.11 120.40 108.96 2jra s VAL 25 Ca -0.02 -1.08 0.05 0.00 -1.81 0.00 0.00 61.98 59.12 2jra s VAL 25 Cb -0.14 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 2jra s VAL 25 CO 0.03 0.41 0.21 -0.94 -0.31 0.00 0.00 175.10 174.50 2jra s SER 26 N -0.79 5.77 -0.06 4.85 1.04 -1.26 -5.12 113.70 118.13 2jra s SER 26 Ca 0.09 -0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.45 2jra s SER 26 Cb -0.09 -1.57 0.01 0.00 0.10 0.00 0.00 66.02 64.48 2jra s SER 26 CO 0.00 0.02 -0.12 -0.63 0.98 0.00 0.00 173.24 173.49 2jra s ILE 27 N -1.89 1.09 -0.57 -1.02 1.09 -1.26 -4.77 121.20 113.86 2jra s ILE 27 Ca 0.33 -0.45 -0.13 0.00 -1.10 0.00 0.00 60.65 59.30 2jra s ILE 27 Cb -0.09 -1.00 0.14 0.00 -1.06 0.00 0.00 42.46 40.45 2jra s ILE 27 CO 0.25 0.34 0.49 0.68 -0.10 0.00 0.00 174.94 176.61 2jra s VAL 28 N 0.70 4.89 0.00 2.92 -7.23 -0.76 -4.75 120.40 116.16 2jra s VAL 28 Ca -0.14 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2jra s VAL 28 Cb -0.16 -4.14 0.00 0.00 0.56 0.00 0.00 36.38 32.64 2jra s VAL 28 CO 0.03 -0.87 0.00 0.61 -0.31 0.00 0.00 175.10 174.56 2jra n GLY 29 N 4.84 2.13 0.58 2.32 0.00 -1.26 -2.16 105.19 111.65 2jra n GLY 29 Ca -0.06 0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 4.07 -0.14 -4.73 1.61 6.94 -1.26 -5.14 115.26 116.62 2jra n ASN 30 Ca 0.00 -1.20 -0.30 0.00 -0.02 0.00 0.00 54.58 53.07 2jra n ASN 30 Cb 0.00 0.03 -0.07 0.00 -2.36 0.00 0.00 39.78 37.38 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 0.17 -3.83 -0.44 -0.92 -5.11 119.66 112.22 2jra s GLN 31 Ca 0.00 -0.81 -0.22 0.00 -2.50 0.00 0.00 55.36 51.83 2jra s GLN 31 Cb 0.00 -2.60 0.06 0.00 -1.64 0.00 0.00 33.01 28.83 2jra s GLN 31 CO -0.00 0.54 0.59 -1.50 0.50 0.00 0.00 175.29 175.42 2jra s ILE 32 N -1.42 0.01 0.03 -2.34 2.07 -1.26 -1.83 121.20 116.46 2jra s ILE 32 Ca 0.28 -0.20 0.06 0.00 -1.41 0.00 0.00 60.65 59.37 2jra s ILE 32 Cb -0.11 -1.16 -0.03 0.00 0.13 0.00 0.00 42.46 41.28 2jra s ILE 32 CO 0.20 -0.03 -0.14 -0.62 -1.91 0.00 0.00 174.94 172.44 2jra s ASP 33 N -2.78 4.12 0.56 4.50 -1.08 -1.26 -5.01 116.67 115.72 2jra s ASP 33 Ca 0.03 -0.32 0.32 0.00 -0.52 0.00 0.00 52.55 52.06 2jra s ASP 33 Cb -0.01 -0.79 1.67 0.00 -1.46 0.00 0.00 42.92 42.32 2jra s ASP 33 CO -0.10 0.26 2.13 0.28 0.52 0.00 0.00 175.17 178.27 2jra h SER 34 N 4.50 0.00 -0.39 -0.34 0.02 -2.01 -2.58 113.55 112.75 2jra h SER 34 Ca -0.48 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.37 2jra h SER 34 Cb 1.16 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 2jra h SER 34 CO 0.50 0.07 -0.13 -0.09 -1.14 0.00 0.00 176.83 176.03 2jra h ARG 35 N 0.00 0.85 -0.33 3.45 9.65 -1.95 -1.10 114.38 124.96 2jra h ARG 35 Ca -0.00 -0.30 -0.01 0.00 -1.10 0.00 0.00 59.98 58.56 2jra h ARG 35 Cb 0.27 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 2jra h ARG 35 CO 0.01 0.93 0.15 0.93 2.80 0.00 0.00 179.97 184.79 2jra h GLU 36 N 0.76 0.49 0.01 0.20 4.39 -1.89 -1.91 114.58 116.64 2jra h GLU 36 Ca 0.12 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 2jra h GLU 36 Cb 0.65 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2jra h GLU 36 CO 0.05 0.46 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.28 2jra h LEU 37 N 0.40 -0.02 -3.54 1.33 3.38 -1.61 -3.33 115.31 111.92 2jra h LEU 37 Ca 0.11 -0.62 -0.40 0.00 0.09 0.00 0.00 57.88 57.06 2jra h LEU 37 Cb 0.15 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.66 2jra h LEU 37 CO -0.01 0.62 0.51 0.49 0.09 0.00 0.00 178.44 180.14 2jra n PHE 38 N -4.79 2.38 -0.13 1.13 3.72 -0.42 -4.42 117.46 114.92 2jra n PHE 38 Ca -0.09 -1.54 -0.12 0.00 -0.05 0.00 0.00 57.45 55.65 2jra n PHE 38 Cb 0.32 -0.79 -0.02 0.00 -0.94 0.00 0.00 39.48 38.05 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 0.79 1.28 0.00 4.37 1.03 -1.46 -3.41 112.91 115.51 2jra h THR 39 Ca 0.49 -1.35 0.00 0.00 -0.01 0.00 0.00 66.41 65.54 2jra h THR 39 Cb 2.45 1.32 0.00 0.00 -1.07 0.00 0.00 68.15 70.85 2jra h THR 39 CO 0.85 0.45 -0.52 0.52 -0.01 0.00 0.00 175.52 176.82 2jra n VAL 40 N -4.23 0.78 -2.34 0.00 0.31 -1.26 -5.01 118.33 106.58 2jra n VAL 40 Ca -0.02 0.31 -0.26 0.00 -0.01 0.00 0.00 64.34 64.36 2jra n VAL 40 Cb 0.44 -1.94 0.16 0.00 -0.91 0.00 0.00 33.84 31.59 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 -5.01 3.60 -0.04 4.52 1.11 -1.26 -5.03 116.67 114.57 2jra s ASP 41 Ca -0.15 -0.23 0.05 0.00 0.18 0.00 0.00 52.55 52.40 2jra s ASP 41 Cb 0.02 0.10 0.08 0.00 1.07 0.00 0.00 42.92 44.19 2jra s ASP 41 CO 0.22 -2.38 0.94 -1.14 1.18 0.00 0.00 175.17 173.99 2jra n ARG 42 N -3.30 1.28 -3.76 8.23 0.63 -1.26 -4.40 116.66 114.08 2jra n ARG 42 Ca 0.17 -1.50 -0.13 0.00 -0.92 0.00 0.00 57.85 55.47 2jra n ARG 42 Cb 0.60 -0.94 -0.13 0.00 0.45 0.00 0.00 32.46 32.45 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 -1.13 0.23 -0.02 -0.14 2.12 -1.26 -1.34 118.70 117.16 2jra s GLU 43 Ca 0.09 0.43 0.08 0.00 0.36 0.00 0.00 54.97 55.92 2jra s GLU 43 Cb 0.08 -0.01 -0.02 0.00 0.26 0.00 0.00 34.13 34.44 2jra s GLU 43 CO 0.01 -0.10 -0.25 0.42 -0.54 0.00 0.00 175.26 174.80 2jra s ILE 44 N 0.74 1.94 -0.14 -3.70 -1.09 0.12 -4.99 121.20 114.08 2jra s ILE 44 Ca -0.05 -1.05 -0.08 0.00 -2.23 0.00 0.00 60.65 57.25 2jra s ILE 44 Cb -0.06 -1.61 -0.04 0.00 -1.58 0.00 0.00 42.46 39.17 2jra s ILE 44 CO -0.04 0.55 0.13 -0.69 -1.23 0.00 0.00 174.94 173.66 2jra s VAL 45 N -0.57 5.46 -0.23 2.92 1.01 -1.26 0.43 120.40 128.15 2jra s VAL 45 Ca 0.09 0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.26 2jra s VAL 45 Cb -0.10 -3.40 0.07 0.00 0.00 0.00 0.00 36.38 32.95 2jra s VAL 45 CO -0.01 0.58 -0.01 -0.63 0.00 0.00 0.00 175.10 175.03 2jra s ILE 46 N -0.70 1.19 0.08 2.22 1.01 0.86 -4.93 121.20 120.93 2jra s ILE 46 Ca 0.13 -1.08 -0.25 0.00 0.00 0.00 0.00 60.65 59.45 2jra s ILE 46 Cb -0.12 -1.59 -0.06 0.00 0.01 0.00 0.00 42.46 40.70 2jra s ILE 46 CO 0.03 -0.21 0.76 0.00 0.00 0.00 0.00 174.94 175.52 2jra s ALA 47 N 1.54 3.40 -0.31 9.38 0.00 -1.26 -0.56 121.76 133.94 2jra s ALA 47 Ca -0.02 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.25 2jra s ALA 47 Cb -0.18 -2.97 0.14 0.00 0.00 0.00 0.00 23.12 20.11 2jra s ALA 47 CO -0.09 0.15 0.32 -1.58 0.00 0.00 0.00 175.76 174.56 2jra s HIS 48 N -0.43 -0.41 0.00 0.00 5.04 -1.02 -4.98 115.29 113.49 2jra s HIS 48 Ca 0.37 -0.38 0.00 0.00 -1.54 0.00 0.00 55.06 53.52 2jra s HIS 48 Cb -0.21 -0.45 0.00 0.00 0.04 0.00 0.00 32.58 31.96 2jra s HIS 48 CO 0.24 -0.94 0.00 0.41 -2.34 0.00 0.00 174.74 172.11 2jra n GLY 49 N 4.98 2.15 0.00 1.59 0.00 -1.26 -2.53 105.19 110.12 2jra n GLY 49 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 5.78 2.50 -4.82 1.61 2.03 -1.26 -5.08 116.55 117.32 2jra n ASP 50 Ca 0.00 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.98 2jra n ASP 50 Cb 0.00 0.29 -0.04 0.00 -0.72 0.00 0.00 41.12 40.64 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 -1.86 6.53 -0.21 1.67 2.15 -1.05 -5.04 116.67 118.86 2jra s ASP 51 Ca 0.00 1.75 -0.01 0.00 0.43 0.00 0.00 52.55 54.73 2jra s ASP 51 Cb 0.00 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 2jra s ASP 51 CO 0.00 -0.65 -0.12 -0.13 -0.17 0.00 0.00 175.17 174.10 2jra s ARG 52 N -3.51 3.01 0.24 4.34 1.81 -1.26 -2.42 118.95 121.16 2jra s ARG 52 Ca 0.63 -0.84 0.07 0.00 -1.72 0.00 0.00 55.73 53.87 2jra s ARG 52 Cb -0.12 -2.80 -0.04 0.00 -0.45 0.00 0.00 34.95 31.54 2jra s ARG 52 CO 0.22 -0.27 0.18 0.71 -0.68 0.00 0.00 175.30 175.46 2jra s TYR 53 N 1.34 3.11 -0.19 -0.53 1.51 0.28 -4.80 117.35 118.07 2jra s TYR 53 Ca 0.03 -0.10 -0.02 0.00 -1.01 0.00 0.00 57.07 55.97 2jra s TYR 53 Cb -0.15 -1.42 0.06 0.00 -0.11 0.00 0.00 41.96 40.34 2jra s TYR 53 CO -0.08 0.52 0.02 1.03 -1.11 0.00 0.00 175.55 175.93 2jra s ARG 54 N -3.70 0.76 -0.44 -0.62 0.52 0.15 -0.10 118.95 115.52 2jra s ARG 54 Ca 0.32 -0.43 -0.23 0.00 -0.52 0.00 0.00 55.73 54.88 2jra s ARG 54 Cb -0.08 -2.05 0.02 0.00 0.52 0.00 0.00 34.95 33.36 2jra s ARG 54 CO 0.24 -0.60 0.79 -1.17 0.02 0.00 0.00 175.30 174.58 2jra s LEU 55 N 1.82 4.24 0.01 2.53 2.96 0.17 -1.00 118.68 129.41 2jra s LEU 55 Ca -0.01 -0.08 0.06 0.00 -0.22 0.00 0.00 54.13 53.89 2jra s LEU 55 Cb -0.17 -2.97 -0.03 0.00 0.50 0.00 0.00 46.19 43.52 2jra s LEU 55 CO -0.08 -0.90 -0.17 -0.60 -1.32 0.00 0.00 176.35 173.28 2jra s ARG 56 N 3.28 2.21 -0.04 1.98 3.52 -0.56 0.11 118.95 129.45 2jra s ARG 56 Ca 0.30 -0.89 0.04 0.00 -0.13 0.00 0.00 55.73 55.05 2jra s ARG 56 Cb -0.12 -2.24 -0.03 0.00 -1.56 0.00 0.00 34.95 31.00 2jra s ARG 56 CO 0.22 0.57 -0.14 -1.17 -0.81 0.00 0.00 175.30 173.97 2jra s LEU 57 N -1.19 2.74 0.00 -0.88 0.20 -0.45 -0.56 118.68 118.55 2jra s LEU 57 Ca 0.14 -0.21 -0.15 0.00 0.69 0.00 0.00 54.13 54.59 2jra s LEU 57 Cb -0.11 -1.56 0.22 0.00 -0.43 0.00 0.00 46.19 44.32 2jra s LEU 57 CO 0.04 0.34 0.92 0.35 -0.29 0.00 0.00 176.35 177.71 2jra n THR 58 N 2.23 0.00 -0.29 3.68 -2.24 0.33 -4.81 114.28 113.17 2jra n THR 58 Ca -0.17 -0.50 0.23 0.00 -2.27 0.00 0.00 64.05 61.34 2jra n THR 58 Cb 0.52 -1.31 0.54 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.08 0.38 0.00 3.42 0.02 -1.98 -3.41 113.55 109.90 2jra h SER 59 Ca -0.33 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2jra h SER 59 Cb 0.98 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2jra h SER 59 CO 0.22 0.10 0.00 1.67 -1.14 0.00 0.00 176.83 177.68 2jra n GLN 60 N -4.54 0.00 0.00 3.45 7.27 -1.26 -5.05 117.38 117.25 2jra n GLN 60 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.30 2jra n GLN 60 Cb 0.86 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.51 2jra n GLN 60 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2jra n ASN 61 N -0.03 0.00 -0.54 1.69 4.13 -1.26 -4.96 115.26 114.29 2jra n ASN 61 Ca 0.00 0.98 0.00 0.00 1.68 0.00 0.00 54.58 57.24 2jra n ASN 61 Cb 0.00 -0.48 0.00 0.00 -1.54 0.00 0.00 39.78 37.76 2jra n ASN 61 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 2jra n LYS 62 N -2.46 0.00 -4.22 3.52 -0.00 -1.26 -5.02 118.16 108.72 2jra n LYS 62 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.18 2jra n LYS 62 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 34.93 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 2.28 0.25 -5.58 2.34 -1.26 -0.52 118.68 116.20 2jra s LEU 63 Ca 0.00 -1.10 -0.09 0.00 0.06 0.00 0.00 54.13 53.00 2jra s LEU 63 Cb 0.00 -0.09 -0.01 0.00 -0.56 0.00 0.00 46.19 45.53 2jra s LEU 63 CO 0.00 -0.51 0.40 0.27 -1.06 0.00 0.00 176.35 175.45 2jra s ILE 64 N -3.62 0.00 -0.00 1.48 -5.25 0.28 -4.99 121.20 109.10 2jra s ILE 64 Ca 0.19 -1.57 0.03 0.00 -0.99 0.00 0.00 60.65 58.31 2jra s ILE 64 Cb 0.05 -2.34 -0.03 0.00 2.95 0.00 0.00 42.46 43.09 2jra s ILE 64 CO 0.01 0.00 -0.07 -0.22 -1.79 0.00 0.00 174.94 172.87 2jra s LEU 65 N -3.08 3.14 0.19 0.37 2.96 -1.26 -1.49 118.68 119.50 2jra s LEU 65 Ca 0.27 -0.14 -0.23 0.00 -0.22 0.00 0.00 54.13 53.81 2jra s LEU 65 Cb 0.01 -1.79 0.06 0.00 0.50 0.00 0.00 46.19 44.98 2jra s LEU 65 CO 0.11 0.29 0.96 0.28 -1.32 0.00 0.00 176.35 176.67 2jra s THR 66 N -0.97 0.00 0.00 3.68 -1.32 -0.17 -4.98 115.64 111.88 2jra s THR 66 Ca 0.16 -0.69 0.00 0.00 -1.21 0.00 0.00 61.69 59.95 2jra s THR 66 Cb -0.11 -2.37 0.00 0.00 -1.51 0.00 0.00 72.50 68.51 2jra s THR 66 CO 0.07 0.00 0.00 2.29 -2.21 0.00 0.00 174.62 174.77