#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 3.11 -0.08 0.03 1.00 -1.26 -5.11 119.30 116.99 2jra s MET 2 Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 55.69 54.75 2jra s MET 2 Cb 0.00 -2.57 0.03 0.00 0.00 0.00 0.00 34.83 32.29 2jra s MET 2 CO 0.00 -0.06 0.36 0.99 0.00 0.00 0.00 175.02 176.31 2jra s THR 3 N 0.97 0.03 -0.20 2.05 2.01 -1.26 -5.15 115.64 114.09 2jra s THR 3 Ca -0.03 -0.22 -0.05 0.00 0.31 0.00 0.00 61.69 61.71 2jra s THR 3 Cb -0.15 -0.58 0.10 0.00 0.01 0.00 0.00 72.50 71.88 2jra s THR 3 CO -0.04 -0.12 0.35 0.00 -0.69 0.00 0.00 174.62 174.13 2jra s ALA 4 N -0.55 -0.92 -0.54 7.40 0.00 -1.26 -5.12 121.76 120.76 2jra s ALA 4 Ca -0.07 1.09 -0.25 0.00 0.00 0.00 0.00 51.96 52.73 2jra s ALA 4 Cb -0.04 -1.36 0.04 0.00 0.00 0.00 0.00 23.12 21.76 2jra s ALA 4 CO 0.03 -0.92 1.00 -1.54 0.00 0.00 0.00 175.76 174.32 2jra s SER 5 N 2.52 6.39 0.19 0.00 1.04 -1.26 -5.01 113.70 117.57 2jra s SER 5 Ca 0.04 -0.16 -0.31 0.00 0.48 0.00 0.00 55.95 56.00 2jra s SER 5 Cb -0.13 -2.47 -0.09 0.00 0.10 0.00 0.00 66.02 63.43 2jra s SER 5 CO -0.13 -1.26 1.42 -0.62 0.98 0.00 0.00 173.24 173.63 2jra s ASP 6 N 2.77 6.75 -1.22 7.02 2.15 -1.26 -4.93 116.67 127.95 2jra s ASP 6 Ca 0.35 2.51 -0.16 0.00 0.43 0.00 0.00 52.55 55.67 2jra s ASP 6 Cb -0.11 -2.61 0.12 0.00 -0.30 0.00 0.00 42.92 40.02 2jra s ASP 6 CO 0.22 -0.66 1.55 -0.13 -0.17 0.00 0.00 175.17 175.97 2jra s ARG 7 N 0.31 3.99 -0.44 4.34 3.00 -1.26 -4.95 118.95 123.94 2jra s ARG 7 Ca 0.62 -2.21 -0.28 0.00 0.00 0.00 0.00 55.73 53.86 2jra s ARG 7 Cb -0.40 -5.27 -0.01 0.00 0.00 0.00 0.00 34.95 29.27 2jra s ARG 7 CO 0.37 -2.00 1.69 -1.17 0.00 0.00 0.00 175.30 174.19 2jra s LEU 8 N 2.96 3.45 0.74 2.53 0.20 -1.26 -4.98 118.68 122.32 2jra s LEU 8 Ca 0.47 0.84 -0.12 0.00 0.69 0.00 0.00 54.13 56.01 2jra s LEU 8 Cb 0.00 -3.21 0.04 0.00 -0.43 0.00 0.00 46.19 42.59 2jra s LEU 8 CO 0.02 -1.82 1.10 -0.83 -0.29 0.00 0.00 176.35 174.53 2jra s GLY 9 N 5.98 1.88 -0.35 7.98 0.00 -1.26 -5.05 107.32 116.50 2jra s GLY 9 Ca 0.70 0.41 0.01 0.00 0.00 0.00 0.00 44.72 45.84 2jra s GLY 9 CO 0.29 0.76 0.31 0.00 0.00 0.00 0.00 173.10 174.47 2jra s ALA 10 N -2.65 -0.09 -0.17 3.20 0.00 -1.26 -5.13 121.76 115.66 2jra s ALA 10 Ca 0.64 -1.05 -0.14 0.00 0.00 0.00 0.00 51.96 51.41 2jra s ALA 10 Cb -0.19 -1.87 -0.05 0.00 0.00 0.00 0.00 23.12 21.01 2jra s ALA 10 CO 0.50 -2.03 0.30 0.16 0.00 0.00 0.00 175.76 174.70 2jra s ASP 11 N 1.57 6.41 -0.26 0.00 -4.77 -1.26 -5.05 116.67 113.31 2jra s ASP 11 Ca 0.15 0.48 -0.29 0.00 -3.30 0.00 0.00 52.55 49.59 2jra s ASP 11 Cb -0.17 -2.18 0.00 0.00 -1.09 0.00 0.00 42.92 39.48 2jra s ASP 11 CO -0.10 0.07 1.21 -2.16 0.70 0.00 0.00 175.17 174.89 2jra s PRO 12 N 0.62 4.08 -0.16 2.11 0.04 -1.26 -5.01 135.00 135.42 2jra s PRO 12 Ca 0.16 1.33 -0.16 0.00 0.04 0.00 0.00 61.00 62.38 2jra s PRO 12 Cb -0.13 -3.79 -0.04 0.00 0.04 0.00 0.00 34.50 30.58 2jra s PRO 12 CO 0.04 -0.90 0.39 -0.08 0.04 0.00 0.00 177.00 176.50 2jra s THR 13 N 3.83 5.23 -0.28 1.26 -1.32 -1.26 -5.05 115.64 118.05 2jra s THR 13 Ca 0.52 0.75 -0.20 0.00 -1.21 0.00 0.00 61.69 61.55 2jra s THR 13 Cb -0.17 -3.73 0.11 0.00 -1.51 0.00 0.00 72.50 67.20 2jra s THR 13 CO 0.17 0.33 0.88 -1.58 -2.21 0.00 0.00 174.62 172.21 2jra s GLN 14 N 0.75 0.57 0.16 7.08 0.74 -1.26 -5.18 119.66 122.53 2jra s GLN 14 Ca 0.21 0.84 0.09 0.00 0.05 0.00 0.00 55.36 56.55 2jra s GLN 14 Cb -0.14 0.20 -0.04 0.00 1.10 0.00 0.00 33.01 34.12 2jra s GLN 14 CO 0.07 -0.09 -0.16 0.00 -0.55 0.00 0.00 175.29 174.56 2jra s ALA 15 N 0.94 2.75 -0.26 1.58 0.00 -1.26 -5.12 121.76 120.39 2jra s ALA 15 Ca -0.04 -1.47 -0.12 0.00 0.00 0.00 0.00 51.96 50.33 2jra s ALA 15 Cb -0.05 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 2jra s ALA 15 CO -0.11 0.50 0.22 0.00 0.00 0.00 0.00 175.76 176.37 2jra s ALA 16 N -1.49 3.56 -0.77 0.00 0.00 -1.26 -5.01 121.76 116.78 2jra s ALA 16 Ca 0.21 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 50.96 2jra s ALA 16 Cb -0.09 -2.48 -0.07 0.00 0.00 0.00 0.00 23.12 20.48 2jra s ALA 16 CO 0.12 -0.46 2.09 -1.12 0.00 0.00 0.00 175.76 176.40 2jra s SER 17 N 1.51 4.79 -0.13 0.00 0.01 -1.26 -4.92 113.70 113.70 2jra s SER 17 Ca 0.09 -0.10 -0.29 0.00 1.31 0.00 0.00 55.95 56.96 2jra s SER 17 Cb -0.15 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 2jra s SER 17 CO 0.09 -2.96 1.65 -0.44 0.41 0.00 0.00 173.24 171.99 2jra s SER 18 N 9.19 6.51 0.36 2.44 0.01 -1.26 -4.97 113.70 125.98 2jra s SER 18 Ca 0.78 1.95 -0.27 0.00 1.31 0.00 0.00 55.95 59.72 2jra s SER 18 Cb -0.11 -2.53 -0.09 0.00 0.21 0.00 0.00 66.02 63.50 2jra s SER 18 CO 0.09 -1.10 1.24 -2.16 0.41 0.00 0.00 173.24 171.72 2jra s PRO 19 N 4.37 4.20 -0.10 12.44 0.04 -1.26 -4.96 135.00 149.73 2jra s PRO 19 Ca 0.73 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.52 2jra s PRO 19 Cb -0.29 -2.89 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 2jra s PRO 19 CO 0.29 -0.26 1.41 0.20 0.04 0.00 0.00 177.00 178.68 2jra s GLY 20 N -0.78 1.65 0.00 0.56 0.00 -1.26 -4.95 107.32 102.54 2jra s GLY 20 Ca 0.53 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.94 2jra s GLY 20 CO 0.46 2.67 0.84 0.61 0.00 0.00 0.00 173.10 177.68 2jra n GLY 21 N 3.78 -2.72 3.28 0.20 0.00 -1.26 -4.56 105.19 103.91 2jra n GLY 21 Ca 0.15 0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.83 2.75 0.08 4.61 0.00 -1.26 -5.10 121.76 120.01 2jra s ALA 22 Ca 0.00 -1.20 0.04 0.00 0.00 0.00 0.00 51.96 50.80 2jra s ALA 22 Cb 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 2jra s ALA 22 CO 0.00 -0.45 -0.11 -0.98 0.00 0.00 0.00 175.76 174.22 2jra s ARG 23 N 1.45 0.76 -0.28 0.00 1.70 -1.26 -5.13 118.95 116.19 2jra s ARG 23 Ca 0.05 -1.01 -0.09 0.00 -0.47 0.00 0.00 55.73 54.21 2jra s ARG 23 Cb -0.14 -0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 33.66 2jra s ARG 23 CO -0.04 0.10 0.13 0.00 -1.08 0.00 0.00 175.30 174.40 2jra s ALA 24 N -1.90 3.30 -0.02 7.88 0.00 -1.26 -5.08 121.76 124.68 2jra s ALA 24 Ca -0.00 -1.19 0.06 0.00 0.00 0.00 0.00 51.96 50.82 2jra s ALA 24 Cb -0.06 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 2jra s ALA 24 CO 0.01 -0.63 -0.18 0.14 0.00 0.00 0.00 175.76 175.10 2jra s VAL 25 N 1.66 2.77 0.12 0.00 -7.23 -1.26 -5.13 120.40 111.33 2jra s VAL 25 Ca 0.06 -0.94 -0.02 0.00 -1.81 0.00 0.00 61.98 59.27 2jra s VAL 25 Cb -0.16 -2.08 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 2jra s VAL 25 CO 0.07 0.52 0.31 -0.94 -0.31 0.00 0.00 175.10 174.74 2jra s SER 26 N -0.90 6.42 -0.13 4.85 1.04 -1.26 -5.10 113.70 118.62 2jra s SER 26 Ca 0.12 0.42 0.03 0.00 0.48 0.00 0.00 55.95 57.00 2jra s SER 26 Cb -0.10 -2.02 0.01 0.00 0.10 0.00 0.00 66.02 64.00 2jra s SER 26 CO 0.02 0.08 -0.22 -0.63 0.98 0.00 0.00 173.24 173.47 2jra s ILE 27 N -1.64 2.09 -0.25 -1.02 1.09 -1.26 -4.81 121.20 115.40 2jra s ILE 27 Ca 0.38 -0.98 0.02 0.00 -1.10 0.00 0.00 60.65 58.97 2jra s ILE 27 Cb -0.12 -1.82 0.06 0.00 -1.06 0.00 0.00 42.46 39.51 2jra s ILE 27 CO 0.27 0.55 -0.10 0.68 -0.10 0.00 0.00 174.94 176.24 2jra s VAL 28 N 0.68 2.03 -1.21 2.92 -7.23 -0.51 -4.73 120.40 112.36 2jra s VAL 28 Ca -0.10 -1.54 -0.01 0.00 -1.81 0.00 0.00 61.98 58.51 2jra s VAL 28 Cb -0.16 -2.17 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 2jra s VAL 28 CO 0.01 -0.03 0.90 0.61 -0.31 0.00 0.00 175.10 176.28 2jra n GLY 29 N 4.48 -0.46 1.99 2.32 0.00 -1.26 -1.43 105.19 110.83 2jra n GLY 29 Ca -0.14 0.18 -0.09 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 -3.11 -2.77 -4.66 1.61 6.94 -1.26 -4.95 115.26 107.07 2jra n ASN 30 Ca -0.26 0.25 -0.23 0.00 -0.02 0.00 0.00 54.58 54.31 2jra n ASN 30 Cb 0.66 -2.59 -0.07 0.00 -2.36 0.00 0.00 39.78 35.42 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 -3.61 2.34 0.11 -3.83 0.74 -0.51 -5.14 119.66 109.76 2jra s GLN 31 Ca 0.00 -1.35 -0.25 0.00 0.05 0.00 0.00 55.36 53.81 2jra s GLN 31 Cb 0.00 -2.21 0.07 0.00 1.10 0.00 0.00 33.01 31.97 2jra s GLN 31 CO 0.00 0.38 0.63 -1.50 -0.55 0.00 0.00 175.29 174.25 2jra s ILE 32 N -2.23 0.00 -0.11 -2.34 2.07 -1.26 -1.42 121.20 115.91 2jra s ILE 32 Ca 0.31 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.52 2jra s ILE 32 Cb -0.07 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.49 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 -2.43 5.33 0.61 4.50 -1.08 -1.26 -4.99 116.67 117.35 2jra s ASP 33 Ca -0.01 0.13 0.33 0.00 -0.52 0.00 0.00 52.55 52.48 2jra s ASP 33 Cb -0.01 -1.63 1.95 0.00 -1.46 0.00 0.00 42.92 41.78 2jra s ASP 33 CO -0.08 0.33 2.28 -1.28 0.52 0.00 0.00 175.17 176.93 2jra h SER 34 N 5.54 0.00 -0.11 -0.34 0.87 -2.02 -1.89 113.55 115.60 2jra h SER 34 Ca -0.47 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 59.99 2jra h SER 34 Cb 1.19 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 2jra h SER 34 CO 0.58 0.00 -0.27 0.03 -0.53 0.00 0.00 176.83 176.64 2jra h ARG 35 N 0.00 0.57 -0.53 2.24 2.47 -1.94 -1.82 114.38 115.36 2jra h ARG 35 Ca 0.00 -0.23 -0.05 0.00 -1.26 0.00 0.00 59.98 58.45 2jra h ARG 35 Cb 0.02 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 2jra h ARG 35 CO -0.00 0.78 0.15 0.93 0.56 0.00 0.00 179.97 182.39 2jra h GLU 36 N 0.49 0.84 -0.03 0.04 4.39 -1.76 0.16 114.58 118.71 2jra h GLU 36 Ca 0.07 -0.19 -0.20 0.00 0.34 0.00 0.00 59.36 59.38 2jra h GLU 36 Cb 0.72 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2jra h GLU 36 CO 0.06 0.78 -0.82 -0.07 -1.16 0.00 0.00 179.01 177.80 2jra h LEU 37 N 0.74 0.42 -3.35 1.33 3.38 -1.58 -3.29 115.31 112.96 2jra h LEU 37 Ca 0.17 -0.31 -0.20 0.00 0.09 0.00 0.00 57.88 57.63 2jra h LEU 37 Cb 0.30 -0.13 -0.13 0.00 0.09 0.00 0.00 40.66 40.80 2jra h LEU 37 CO -0.00 1.07 -0.21 0.49 0.09 0.00 0.00 178.44 179.88 2jra n PHE 38 N -3.76 1.12 -0.36 1.13 3.72 -0.70 -4.72 117.46 113.89 2jra n PHE 38 Ca -0.05 -1.71 0.09 0.00 -0.05 0.00 0.00 57.45 55.73 2jra n PHE 38 Cb 0.76 -0.47 0.26 0.00 -0.94 0.00 0.00 39.48 39.10 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 0.86 -1.05 4.37 1.03 -0.76 -3.23 112.91 115.25 2jra h THR 39 Ca 0.21 -0.32 -0.36 0.00 -0.01 0.00 0.00 66.41 65.93 2jra h THR 39 Cb 1.49 -0.15 -0.30 0.00 -1.07 0.00 0.00 68.15 68.12 2jra h THR 39 CO 0.40 0.17 -0.89 1.33 -0.01 0.00 0.00 175.52 176.51 2jra n VAL 40 N -4.66 0.09 -3.59 0.00 0.24 -1.26 -5.09 118.33 104.07 2jra n VAL 40 Ca 0.20 -3.12 -0.16 0.00 -2.04 0.00 0.00 64.34 59.23 2jra n VAL 40 Cb 0.42 0.53 -0.07 0.00 -1.47 0.00 0.00 33.84 33.25 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 -2.09 -0.67 -0.02 -1.34 1.01 -1.22 -4.78 116.67 107.57 2jra s ASP 41 Ca 0.31 1.02 0.04 0.00 0.71 0.00 0.00 52.55 54.63 2jra s ASP 41 Cb 0.36 0.96 0.07 0.00 1.01 0.00 0.00 42.92 45.32 2jra s ASP 41 CO -0.05 -0.41 1.04 -1.14 0.21 0.00 0.00 175.17 174.82 2jra n ARG 42 N 1.84 2.75 -3.65 8.23 3.00 -1.26 -4.68 116.66 122.89 2jra n ARG 42 Ca -0.17 -1.71 -0.01 0.00 -0.00 0.00 0.00 57.85 55.97 2jra n ARG 42 Cb 0.56 -1.10 -0.06 0.00 0.00 0.00 0.00 32.46 31.86 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 -1.29 0.18 -0.03 -0.14 2.12 -1.26 -1.87 118.70 116.42 2jra s GLU 43 Ca 0.07 0.27 0.05 0.00 0.36 0.00 0.00 54.97 55.72 2jra s GLU 43 Cb 0.05 0.05 -0.01 0.00 0.26 0.00 0.00 34.13 34.48 2jra s GLU 43 CO 0.02 -0.03 -0.18 0.42 -0.54 0.00 0.00 175.26 174.94 2jra s ILE 44 N 0.83 1.49 -0.11 -3.70 -1.09 0.10 -4.98 121.20 113.74 2jra s ILE 44 Ca -0.04 -0.78 -0.09 0.00 -2.23 0.00 0.00 60.65 57.51 2jra s ILE 44 Cb -0.03 -1.25 -0.04 0.00 -1.58 0.00 0.00 42.46 39.55 2jra s ILE 44 CO -0.12 0.42 0.18 -0.69 -1.23 0.00 0.00 174.94 173.50 2jra s VAL 45 N -0.27 5.43 -0.27 2.92 1.01 -1.26 0.19 120.40 128.15 2jra s VAL 45 Ca 0.03 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2jra s VAL 45 Cb -0.09 -3.46 0.08 0.00 0.00 0.00 0.00 36.38 32.91 2jra s VAL 45 CO 0.00 0.59 0.02 -0.63 0.00 0.00 0.00 175.10 175.08 2jra s ILE 46 N -0.86 1.30 0.05 2.22 1.01 0.03 -4.96 121.20 119.98 2jra s ILE 46 Ca 0.16 -1.34 -0.25 0.00 0.00 0.00 0.00 60.65 59.22 2jra s ILE 46 Cb -0.13 -1.77 -0.06 0.00 0.01 0.00 0.00 42.46 40.52 2jra s ILE 46 CO 0.05 -0.36 0.75 0.00 0.00 0.00 0.00 174.94 175.38 2jra s ALA 47 N 1.46 3.38 -0.33 9.38 0.00 -1.26 -0.20 121.76 134.19 2jra s ALA 47 Ca 0.02 0.27 0.00 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 20.10 2jra s ALA 47 CO -0.12 0.09 0.28 -1.58 0.00 0.00 0.00 175.76 174.43 2jra s HIS 48 N -0.15 -0.08 0.00 0.00 5.04 -0.23 -4.99 115.29 114.89 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 -0.20 -0.59 0.00 0.00 0.04 0.00 0.00 32.58 31.82 2jra s HIS 48 CO 0.23 -0.91 0.00 0.41 -2.34 0.00 0.00 174.74 172.13 2jra n GLY 49 N 4.75 1.54 0.00 1.59 0.00 -1.26 -2.86 105.19 108.94 2jra n GLY 49 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 4.43 0.66 -4.94 1.61 2.03 -1.26 -5.08 116.55 114.00 2jra n ASP 50 Ca 0.00 -0.09 -0.24 0.00 0.52 0.00 0.00 54.79 54.98 2jra n ASP 50 Cb 0.00 0.30 -0.00 0.00 -0.72 0.00 0.00 41.12 40.70 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 -0.43 6.11 -0.01 1.67 2.15 -1.14 -5.11 116.67 119.91 2jra s ASP 51 Ca 0.00 0.50 0.01 0.00 0.43 0.00 0.00 52.55 53.49 2jra s ASP 51 Cb 0.00 -1.90 0.00 0.00 -0.30 0.00 0.00 42.92 40.72 2jra s ASP 51 CO 0.00 -0.52 -0.03 -0.13 -0.17 0.00 0.00 175.17 174.32 2jra s ARG 52 N -4.51 0.30 0.34 4.34 0.52 -1.26 -1.06 118.95 117.61 2jra s ARG 52 Ca 0.45 -0.09 0.08 0.00 -0.52 0.00 0.00 55.73 55.65 2jra s ARG 52 Cb -0.10 -0.33 -0.04 0.00 0.52 0.00 0.00 34.95 35.00 2jra s ARG 52 CO 0.39 0.03 0.13 0.71 0.02 0.00 0.00 175.30 176.58 2jra s TYR 53 N 0.14 2.70 -0.22 -0.53 1.51 0.71 -4.87 117.35 116.80 2jra s TYR 53 Ca -0.01 -0.37 -0.01 0.00 -1.01 0.00 0.00 57.07 55.66 2jra s TYR 53 Cb -0.04 -1.60 0.07 0.00 -0.11 0.00 0.00 41.96 40.27 2jra s TYR 53 CO -0.00 0.37 0.02 1.03 -1.11 0.00 0.00 175.55 175.85 2jra s ARG 54 N -3.83 0.96 -0.54 -0.62 0.52 0.91 -0.79 118.95 115.57 2jra s ARG 54 Ca 0.37 -0.69 -0.25 0.00 -0.52 0.00 0.00 55.73 54.63 2jra s ARG 54 Cb -0.03 -2.25 0.04 0.00 0.52 0.00 0.00 34.95 33.23 2jra s ARG 54 CO 0.22 -0.68 1.00 -1.17 0.02 0.00 0.00 175.30 174.70 2jra s LEU 55 N 1.68 3.92 -0.04 2.53 2.96 0.13 -0.93 118.68 128.93 2jra s LEU 55 Ca -0.01 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 53.82 2jra s LEU 55 Cb -0.18 -3.00 -0.03 0.00 0.50 0.00 0.00 46.19 43.48 2jra s LEU 55 CO -0.10 -1.25 -0.15 -0.60 -1.32 0.00 0.00 176.35 172.93 2jra s ARG 56 N 4.15 2.43 -0.01 1.98 3.52 -0.13 0.02 118.95 130.91 2jra s ARG 56 Ca 0.35 -0.74 0.04 0.00 -0.13 0.00 0.00 55.73 55.25 2jra s ARG 56 Cb -0.11 -2.34 -0.03 0.00 -1.56 0.00 0.00 34.95 30.92 2jra s ARG 56 CO 0.22 0.61 -0.12 -1.17 -0.81 0.00 0.00 175.30 174.03 2jra s LEU 57 N -0.82 2.86 0.00 -0.88 0.20 -0.78 -0.46 118.68 118.80 2jra s LEU 57 Ca 0.12 -0.24 -0.14 0.00 0.69 0.00 0.00 54.13 54.56 2jra s LEU 57 Cb -0.11 -1.64 0.20 0.00 -0.43 0.00 0.00 46.19 44.21 2jra s LEU 57 CO 0.01 0.30 0.93 0.35 -0.29 0.00 0.00 176.35 177.66 2jra n THR 58 N 1.83 0.00 -0.19 3.68 -2.24 -0.06 -4.81 114.28 112.49 2jra n THR 58 Ca -0.16 -0.58 0.05 0.00 -2.27 0.00 0.00 64.05 61.09 2jra n THR 58 Cb 0.52 -1.42 0.33 0.00 -2.10 0.00 0.00 70.33 67.66 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 -1.78 0.70 0.00 3.42 0.02 -1.99 -3.42 113.55 110.50 2jra h SER 59 Ca -0.32 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2jra h SER 59 Cb 0.93 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2jra h SER 59 CO 0.22 0.47 0.00 0.00 -1.14 0.00 0.00 176.83 176.38 2jra n GLN 60 N -4.47 0.00 0.10 3.45 10.64 -1.26 -5.05 117.38 120.79 2jra n GLN 60 Ca 0.10 0.00 -0.04 0.00 -1.83 0.00 0.00 57.00 55.23 2jra n GLN 60 Cb 0.19 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.55 2jra n GLN 60 CO 0.00 0.00 0.00 -0.97 -1.83 0.00 0.00 177.06 174.26 2jra h ASN 61 N 0.00 -0.22 -0.37 2.61 -1.24 -1.98 -3.49 115.58 110.88 2jra h ASN 61 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 2jra h ASN 61 Cb 0.03 0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.14 2jra h ASN 61 CO 0.00 -0.11 0.00 2.29 -1.29 0.00 0.00 177.43 178.32 2jra n LYS 62 N -2.96 0.00 -4.21 6.67 -0.00 -1.26 -5.03 118.16 111.37 2jra n LYS 62 Ca -0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.15 2jra n LYS 62 Cb 0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.03 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 2.26 0.26 -5.58 2.34 -1.26 -0.88 118.68 115.82 2jra s LEU 63 Ca 0.00 -1.11 -0.09 0.00 0.06 0.00 0.00 54.13 52.99 2jra s LEU 63 Cb 0.00 -0.06 -0.01 0.00 -0.56 0.00 0.00 46.19 45.56 2jra s LEU 63 CO 0.00 -0.53 0.43 0.27 -1.06 0.00 0.00 176.35 175.47 2jra s ILE 64 N -3.65 0.00 -0.22 1.48 -5.25 0.39 -4.99 121.20 108.96 2jra s ILE 64 Ca 0.19 -1.52 0.01 0.00 -0.99 0.00 0.00 60.65 58.35 2jra s ILE 64 Cb 0.06 -2.34 0.05 0.00 2.95 0.00 0.00 42.46 43.18 2jra s ILE 64 CO 0.00 0.00 -0.11 -0.22 -1.79 0.00 0.00 174.94 172.83 2jra s LEU 65 N -3.08 2.61 0.39 0.37 1.98 -1.26 -0.95 118.68 118.74 2jra s LEU 65 Ca 0.26 -1.04 0.05 0.00 -2.89 0.00 0.00 54.13 50.51 2jra s LEU 65 Cb 0.00 -1.33 -0.02 0.00 0.66 0.00 0.00 46.19 45.50 2jra s LEU 65 CO 0.11 -0.15 0.18 0.28 -1.89 0.00 0.00 176.35 174.88 2jra s THR 66 N 1.31 0.37 0.00 3.68 -1.32 -0.11 -4.97 115.64 114.60 2jra s THR 66 Ca -0.03 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.45 2jra s THR 66 Cb -0.17 -2.36 0.00 0.00 -1.51 0.00 0.00 72.50 68.46 2jra s THR 66 CO -0.08 0.00 0.16 0.29 -2.21 0.00 0.00 174.62 172.79