#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 3.98 -0.62 3.17 1.00 -1.26 -4.95 119.30 120.63 2jra s MET 2 Ca 0.00 -2.11 -0.27 0.00 0.00 0.00 0.00 55.69 53.31 2jra s MET 2 Cb 0.00 -5.35 0.03 0.00 0.00 0.00 0.00 34.83 29.51 2jra s MET 2 CO 0.00 -2.08 1.18 0.99 0.00 0.00 0.00 175.02 175.11 2jra s THR 3 N 3.39 3.99 -0.44 2.05 2.01 -1.26 -4.99 115.64 120.39 2jra s THR 3 Ca 0.49 0.71 -0.22 0.00 0.31 0.00 0.00 61.69 62.98 2jra s THR 3 Cb 0.01 -4.75 0.02 0.00 0.01 0.00 0.00 72.50 67.79 2jra s THR 3 CO 0.04 -1.44 0.70 0.00 -0.69 0.00 0.00 174.62 173.22 2jra s ALA 4 N 5.02 3.32 -0.74 7.40 0.00 -1.26 -5.01 121.76 130.50 2jra s ALA 4 Ca 0.40 -1.13 -0.26 0.00 0.00 0.00 0.00 51.96 50.96 2jra s ALA 4 Cb -0.08 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.70 2jra s ALA 4 CO 0.22 -1.85 1.24 -1.54 0.00 0.00 0.00 175.76 173.83 2jra s SER 5 N 2.06 6.17 -0.15 0.00 1.04 -1.26 -4.99 113.70 116.57 2jra s SER 5 Ca 0.25 -0.57 -0.25 0.00 0.48 0.00 0.00 55.95 55.86 2jra s SER 5 Cb -0.13 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.43 2jra s SER 5 CO 0.20 -1.77 0.81 -0.62 0.98 0.00 0.00 173.24 172.85 2jra s ASP 6 N 3.77 6.97 -0.64 7.02 2.15 -1.26 -5.01 116.67 129.67 2jra s ASP 6 Ca 0.33 1.19 -0.21 0.00 0.43 0.00 0.00 52.55 54.29 2jra s ASP 6 Cb -0.09 -2.45 0.09 0.00 -0.30 0.00 0.00 42.92 40.17 2jra s ASP 6 CO 0.13 -0.35 0.85 -0.13 -0.17 0.00 0.00 175.17 175.51 2jra s ARG 7 N 1.90 3.11 0.33 4.34 3.00 -1.26 -5.03 118.95 125.34 2jra s ARG 7 Ca 0.38 -1.12 0.09 0.00 0.00 0.00 0.00 55.73 55.09 2jra s ARG 7 Cb -0.17 -4.28 -0.05 0.00 0.00 0.00 0.00 34.95 30.45 2jra s ARG 7 CO 0.14 -1.69 0.03 -0.48 0.00 0.00 0.00 175.30 173.30 2jra s LEU 8 N 3.34 3.06 0.00 2.53 0.05 -1.26 -5.11 118.68 121.29 2jra s LEU 8 Ca 0.18 -0.90 0.00 0.00 0.05 0.00 0.00 54.13 53.46 2jra s LEU 8 Cb -0.20 -1.48 0.00 0.00 -2.05 0.00 0.00 46.19 42.46 2jra s LEU 8 CO 0.07 -0.21 0.00 0.61 -0.55 0.00 0.00 176.35 176.27 2jra n GLY 9 N -0.98 1.70 3.80 -3.48 0.00 -1.26 -5.15 105.19 99.81 2jra n GLY 9 Ca -0.04 0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 3.07 -0.48 4.61 0.00 -1.26 -5.04 121.76 122.66 2jra s ALA 10 Ca 0.00 0.55 0.03 0.00 0.00 0.00 0.00 51.96 52.54 2jra s ALA 10 Cb 0.00 -3.21 0.15 0.00 0.00 0.00 0.00 23.12 20.06 2jra s ALA 10 CO 0.00 -0.02 0.31 0.34 0.00 0.00 0.00 175.76 176.39 2jra s ASP 11 N -1.84 3.32 -0.43 0.00 2.15 -1.26 -5.09 116.67 113.52 2jra s ASP 11 Ca 0.59 -2.95 -0.29 0.00 0.43 0.00 0.00 52.55 50.33 2jra s ASP 11 Cb -0.16 -0.98 0.02 0.00 -0.30 0.00 0.00 42.92 41.51 2jra s ASP 11 CO 0.21 -0.21 1.15 -2.16 -0.17 0.00 0.00 175.17 173.99 2jra s PRO 12 N -0.04 3.80 -1.03 4.34 0.04 -1.26 -4.97 135.00 135.89 2jra s PRO 12 Ca 0.23 0.73 -0.23 0.00 0.04 0.00 0.00 61.00 61.77 2jra s PRO 12 Cb -0.14 -3.88 0.05 0.00 0.04 0.00 0.00 34.50 30.58 2jra s PRO 12 CO -0.08 -1.28 1.45 0.99 0.04 0.00 0.00 177.00 178.12 2jra s THR 13 N 4.33 3.95 -0.66 1.26 2.01 -1.26 -4.95 115.64 120.33 2jra s THR 13 Ca 0.49 -0.82 -0.16 0.00 0.31 0.00 0.00 61.69 61.50 2jra s THR 13 Cb -0.09 -5.06 0.15 0.00 0.01 0.00 0.00 72.50 67.51 2jra s THR 13 CO 0.28 -1.93 0.67 -1.10 -0.69 0.00 0.00 174.62 171.85 2jra s GLN 14 N 4.89 3.21 -0.29 4.92 -0.21 -1.26 -4.97 119.66 125.94 2jra s GLN 14 Ca 0.46 -1.81 -0.15 0.00 0.02 0.00 0.00 55.36 53.88 2jra s GLN 14 Cb -0.00 -4.37 0.13 0.00 1.00 0.00 0.00 33.01 29.77 2jra s GLN 14 CO -0.09 -1.41 0.84 0.00 -2.12 0.00 0.00 175.29 172.51 2jra s ALA 15 N 1.57 -2.19 0.43 6.09 0.00 -1.26 -5.19 121.76 121.22 2jra s ALA 15 Ca 0.11 2.27 0.03 0.00 0.00 0.00 0.00 51.96 54.38 2jra s ALA 15 Cb -0.21 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.19 2jra s ALA 15 CO -0.00 -0.55 0.11 0.00 0.00 0.00 0.00 175.76 175.31 2jra s ALA 16 N 1.87 3.16 0.02 0.00 0.00 -1.26 -5.17 121.76 120.39 2jra s ALA 16 Ca -0.08 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.84 2jra s ALA 16 Cb -0.06 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.67 2jra s ALA 16 CO -0.18 -0.28 -0.07 -1.12 0.00 0.00 0.00 175.76 174.12 2jra s SER 17 N -3.66 0.73 -0.16 0.00 0.01 -1.26 -5.15 113.70 104.20 2jra s SER 17 Ca 0.20 -0.37 -0.02 0.00 1.31 0.00 0.00 55.95 57.07 2jra s SER 17 Cb 0.02 0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.23 2jra s SER 17 CO 0.13 -0.11 -0.08 -0.44 0.41 0.00 0.00 173.24 173.15 2jra s SER 18 N -1.02 4.31 -0.08 2.44 0.01 -1.26 -5.08 113.70 113.03 2jra s SER 18 Ca -0.06 -0.28 -0.29 0.00 1.31 0.00 0.00 55.95 56.63 2jra s SER 18 Cb -0.07 -1.69 -0.07 0.00 0.21 0.00 0.00 66.02 64.40 2jra s SER 18 CO 0.00 0.12 2.01 -2.84 0.41 0.00 0.00 173.24 172.94 2jra s PRO 19 N 0.62 3.77 -0.31 12.44 0.02 -1.26 -4.79 135.00 145.48 2jra s PRO 19 Ca -0.05 2.31 0.03 0.00 0.02 0.00 0.00 61.00 63.31 2jra s PRO 19 Cb -0.15 -4.22 0.24 0.00 0.02 0.00 0.00 34.50 30.39 2jra s PRO 19 CO 0.03 -1.38 1.31 0.41 -0.33 0.00 0.00 177.00 177.04 2jra n GLY 20 N 4.95 -1.42 0.00 0.52 0.00 -1.26 -5.12 105.19 102.87 2jra n GLY 20 Ca 0.23 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.89 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 0.18 0.28 3.83 -0.02 0.00 -1.26 -5.07 105.19 103.13 2jra n GLY 21 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.31 3.58 0.05 4.61 0.00 -1.26 -5.09 121.76 120.34 2jra s ALA 22 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 51.94 2jra s ALA 22 Cb 0.00 -2.57 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 2jra s ALA 22 CO 0.00 0.43 -0.11 -0.98 0.00 0.00 0.00 175.76 175.10 2jra s ARG 23 N -1.59 0.66 -0.17 0.00 1.70 -1.26 -5.15 118.95 113.15 2jra s ARG 23 Ca 0.34 -0.84 -0.05 0.00 -0.47 0.00 0.00 55.73 54.71 2jra s ARG 23 Cb -0.17 -0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 33.64 2jra s ARG 23 CO 0.19 0.11 0.01 0.00 -1.08 0.00 0.00 175.30 174.53 2jra s ALA 24 N -1.31 3.16 0.07 7.88 0.00 -1.26 -5.10 121.76 125.20 2jra s ALA 24 Ca -0.06 -0.81 0.08 0.00 0.00 0.00 0.00 51.96 51.17 2jra s ALA 24 Cb -0.10 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 2jra s ALA 24 CO 0.01 0.16 -0.21 0.14 0.00 0.00 0.00 175.76 175.86 2jra s VAL 25 N 0.44 1.74 0.19 0.00 -7.23 -1.26 -5.14 120.40 109.14 2jra s VAL 25 Ca -0.01 -1.38 0.05 0.00 -1.81 0.00 0.00 61.98 58.84 2jra s VAL 25 Cb -0.14 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 2jra s VAL 25 CO 0.02 0.10 0.19 -0.94 -0.31 0.00 0.00 175.10 174.16 2jra s SER 26 N -1.52 5.68 -0.08 4.85 1.04 -1.26 -5.11 113.70 117.29 2jra s SER 26 Ca 0.08 -0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.42 2jra s SER 26 Cb -0.09 -1.52 0.01 0.00 0.10 0.00 0.00 66.02 64.51 2jra s SER 26 CO 0.03 0.03 -0.17 -0.63 0.98 0.00 0.00 173.24 173.48 2jra s ILE 27 N -1.87 1.53 -0.61 -1.02 1.09 -1.26 -4.75 121.20 114.31 2jra s ILE 27 Ca 0.32 -0.70 -0.15 0.00 -1.10 0.00 0.00 60.65 59.02 2jra s ILE 27 Cb -0.10 -1.36 0.15 0.00 -1.06 0.00 0.00 42.46 40.09 2jra s ILE 27 CO 0.25 0.44 0.56 0.68 -0.10 0.00 0.00 174.94 176.77 2jra s VAL 28 N 0.60 5.27 0.00 2.92 -7.23 -0.10 -4.77 120.40 117.09 2jra s VAL 28 Ca -0.15 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 2jra s VAL 28 Cb -0.16 -4.35 0.00 0.00 0.56 0.00 0.00 36.38 32.42 2jra s VAL 28 CO 0.05 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.54 2jra n GLY 29 N 4.93 1.81 0.46 2.32 0.00 -1.26 -1.48 105.19 111.97 2jra n GLY 29 Ca -0.07 0.01 0.00 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 3.47 0.00 -4.70 1.61 6.94 -1.26 -5.14 115.26 116.17 2jra n ASN 30 Ca 0.00 -1.12 -0.23 0.00 -0.02 0.00 0.00 54.58 53.21 2jra n ASN 30 Cb 0.00 -0.02 -0.06 0.00 -2.36 0.00 0.00 39.78 37.33 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 2.51 -0.06 -3.83 0.74 -0.55 -5.12 119.66 113.35 2jra s GLN 31 Ca 0.00 -1.25 -0.31 0.00 0.05 0.00 0.00 55.36 53.85 2jra s GLN 31 Cb 0.00 -2.32 0.08 0.00 1.10 0.00 0.00 33.01 31.87 2jra s GLN 31 CO 0.00 0.39 0.73 -1.50 -0.55 0.00 0.00 175.29 174.36 2jra s ILE 32 N -2.16 0.00 -0.09 -2.34 2.07 -1.26 -0.92 121.20 116.50 2jra s ILE 32 Ca 0.31 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 59.43 2jra s ILE 32 Cb -0.07 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.47 2jra s ILE 32 CO 0.21 0.00 0.30 -0.62 -1.91 0.00 0.00 174.94 172.92 2jra s ASP 33 N -1.22 6.57 0.57 4.50 -1.08 -1.26 -4.97 116.67 119.78 2jra s ASP 33 Ca -0.09 0.68 0.27 0.00 -0.52 0.00 0.00 52.55 52.89 2jra s ASP 33 Cb -0.00 -2.18 1.68 0.00 -1.46 0.00 0.00 42.92 40.96 2jra s ASP 33 CO 0.08 0.27 2.21 0.77 0.52 0.00 0.00 175.17 179.02 2jra h SER 34 N 5.43 0.00 0.11 -0.34 4.64 -2.01 -1.82 113.55 119.56 2jra h SER 34 Ca -0.49 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.74 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 -0.29 0.03 -0.87 0.00 0.00 176.83 176.38 2jra h ARG 35 N 0.00 0.28 -0.64 4.77 2.47 -1.93 -0.33 114.38 119.00 2jra h ARG 35 Ca -0.00 -0.10 -0.02 0.00 -1.26 0.00 0.00 59.98 58.60 2jra h ARG 35 Cb 0.06 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.33 2jra h ARG 35 CO 0.00 0.55 0.32 0.93 0.56 0.00 0.00 179.97 182.33 2jra h GLU 36 N 0.25 0.91 0.02 0.04 4.39 -1.74 -1.21 114.58 117.24 2jra h GLU 36 Ca 0.04 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 2jra h GLU 36 Cb 0.64 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2jra h GLU 36 CO 0.05 0.71 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.53 2jra h LEU 37 N 0.88 -0.03 -3.22 1.33 3.38 -1.55 -3.31 115.31 112.79 2jra h LEU 37 Ca 0.22 -0.66 -0.31 0.00 0.09 0.00 0.00 57.88 57.22 2jra h LEU 37 Cb 0.09 0.01 -0.16 0.00 0.09 0.00 0.00 40.66 40.68 2jra h LEU 37 CO -0.03 0.67 0.39 0.49 0.09 0.00 0.00 178.44 180.06 2jra n PHE 38 N -4.77 1.69 0.07 1.13 3.72 -0.17 -4.54 117.46 114.60 2jra n PHE 38 Ca -0.09 -1.49 -0.13 0.00 -0.05 0.00 0.00 57.45 55.70 2jra n PHE 38 Cb 0.34 -0.74 -0.07 0.00 -0.94 0.00 0.00 39.48 38.06 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 0.68 0.94 0.00 4.37 1.03 -1.31 -3.39 112.91 115.23 2jra h THR 39 Ca 0.34 -0.04 -0.22 0.00 -0.01 0.00 0.00 66.41 66.48 2jra h THR 39 Cb 1.68 0.97 -0.03 0.00 -1.07 0.00 0.00 68.15 69.70 2jra h THR 39 CO 0.68 0.01 -1.63 1.33 -0.01 0.00 0.00 175.52 175.90 2jra n VAL 40 N -5.12 1.20 -2.00 0.00 0.24 -1.26 -5.02 118.33 106.37 2jra n VAL 40 Ca -0.08 -0.11 -0.02 0.00 -2.04 0.00 0.00 64.34 62.09 2jra n VAL 40 Cb 0.07 -1.89 0.01 0.00 -1.47 0.00 0.00 33.84 30.56 2jra n VAL 40 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2jra n ASP 41 N -3.99 0.10 -0.41 -1.34 5.68 -1.26 -5.05 116.55 110.28 2jra n ASP 41 Ca -0.29 -1.10 0.01 0.00 -0.50 0.00 0.00 54.79 52.91 2jra n ASP 41 Cb 0.64 -0.07 0.01 0.00 -1.14 0.00 0.00 41.12 40.56 2jra n ASP 41 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 2jra n ARG 42 N -1.20 0.14 -3.75 0.11 0.63 -1.26 -4.49 116.66 106.83 2jra n ARG 42 Ca 0.02 -1.10 -0.12 0.00 -0.92 0.00 0.00 57.85 55.73 2jra n ARG 42 Cb 0.06 -0.59 -0.12 0.00 0.45 0.00 0.00 32.46 32.26 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 -0.26 0.30 0.03 -0.14 2.12 -1.26 -1.52 118.70 117.97 2jra s GLU 43 Ca 0.03 0.49 0.07 0.00 0.36 0.00 0.00 54.97 55.91 2jra s GLU 43 Cb 0.02 0.04 -0.02 0.00 0.26 0.00 0.00 34.13 34.44 2jra s GLU 43 CO 0.00 -0.09 -0.19 0.42 -0.54 0.00 0.00 175.26 174.86 2jra s ILE 44 N 0.67 1.54 -0.41 -3.70 -1.09 0.03 -4.97 121.20 113.27 2jra s ILE 44 Ca -0.04 -1.11 -0.12 0.00 -2.23 0.00 0.00 60.65 57.15 2jra s ILE 44 Cb -0.06 -1.34 0.05 0.00 -1.58 0.00 0.00 42.46 39.54 2jra s ILE 44 CO -0.04 0.20 0.27 -0.69 -1.23 0.00 0.00 174.94 173.44 2jra s VAL 45 N -0.76 4.67 -0.60 2.92 1.01 -1.26 0.03 120.40 126.41 2jra s VAL 45 Ca 0.06 -1.04 -0.23 0.00 0.00 0.00 0.00 61.98 60.78 2jra s VAL 45 Cb -0.08 -3.71 0.06 0.00 0.00 0.00 0.00 36.38 32.64 2jra s VAL 45 CO 0.01 -0.39 0.91 -0.63 0.00 0.00 0.00 175.10 175.00 2jra s ILE 46 N 1.55 4.43 0.19 2.22 1.01 0.11 -4.89 121.20 125.82 2jra s ILE 46 Ca 0.03 -0.17 -0.22 0.00 0.00 0.00 0.00 60.65 60.29 2jra s ILE 46 Cb -0.21 -4.58 -0.08 0.00 0.01 0.00 0.00 42.46 37.60 2jra s ILE 46 CO 0.06 -1.25 0.73 0.00 0.00 0.00 0.00 174.94 174.48 2jra s ALA 47 N 3.80 3.44 -0.30 9.38 0.00 -1.26 0.07 121.76 136.90 2jra s ALA 47 Ca 0.24 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.42 2jra s ALA 47 Cb -0.16 -2.85 0.14 0.00 0.00 0.00 0.00 23.12 20.25 2jra s ALA 47 CO 0.13 0.32 0.32 -1.58 0.00 0.00 0.00 175.76 174.95 2jra s HIS 48 N -1.35 -0.53 0.00 0.00 5.04 -0.42 -4.92 115.29 113.11 2jra s HIS 48 Ca 0.39 -0.15 0.00 0.00 -1.54 0.00 0.00 55.06 53.76 2jra s HIS 48 Cb -0.19 -0.42 0.00 0.00 0.04 0.00 0.00 32.58 32.01 2jra s HIS 48 CO 0.23 -0.94 0.00 0.41 -2.34 0.00 0.00 174.74 172.10 2jra n GLY 49 N 5.25 1.45 0.11 1.59 0.00 -1.26 -2.67 105.19 109.66 2jra n GLY 49 Ca -0.01 -0.56 0.10 0.00 0.00 0.00 0.00 46.02 45.55 2jra n GLY 49 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jra h ASP 50 N 0.00 0.00 -1.95 1.61 5.19 -2.04 -3.47 116.42 115.76 2jra h ASP 50 Ca 0.00 0.00 -0.44 0.00 -0.62 0.00 0.00 57.03 55.97 2jra h ASP 50 Cb 0.00 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.53 2jra h ASP 50 CO 0.00 0.07 -0.25 -0.62 -3.12 0.00 0.00 179.24 175.31 2jra s ASP 51 N -5.43 5.82 -0.01 6.45 2.15 -1.09 -5.12 116.67 119.43 2jra s ASP 51 Ca -0.01 -0.14 0.01 0.00 0.43 0.00 0.00 52.55 52.84 2jra s ASP 51 Cb 0.09 -1.13 0.01 0.00 -0.30 0.00 0.00 42.92 41.60 2jra s ASP 51 CO 0.79 -0.61 -0.02 -0.13 -0.17 0.00 0.00 175.17 175.03 2jra s ARG 52 N -4.33 0.26 0.39 4.34 0.52 -1.26 -1.30 118.95 117.56 2jra s ARG 52 Ca 0.49 -0.04 0.08 0.00 -0.52 0.00 0.00 55.73 55.74 2jra s ARG 52 Cb -0.10 -0.32 -0.06 0.00 0.52 0.00 0.00 34.95 35.00 2jra s ARG 52 CO 0.33 -0.01 0.10 0.71 0.02 0.00 0.00 175.30 176.46 2jra s TYR 53 N 0.31 2.58 -0.03 -0.53 1.51 0.11 -4.88 117.35 116.43 2jra s TYR 53 Ca -0.03 -0.55 0.01 0.00 -1.01 0.00 0.00 57.07 55.48 2jra s TYR 53 Cb -0.06 -1.79 0.03 0.00 -0.11 0.00 0.00 41.96 40.03 2jra s TYR 53 CO -0.01 0.32 -0.01 1.03 -1.11 0.00 0.00 175.55 175.78 2jra s ARG 54 N -3.82 0.35 -0.28 -0.62 0.52 0.96 0.07 118.95 116.14 2jra s ARG 54 Ca 0.38 0.05 -0.07 0.00 -0.52 0.00 0.00 55.73 55.57 2jra s ARG 54 Cb 0.04 -0.50 -0.01 0.00 0.52 0.00 0.00 34.95 35.00 2jra s ARG 54 CO 0.21 -0.12 0.08 -1.17 0.02 0.00 0.00 175.30 174.32 2jra s LEU 55 N 0.95 3.70 -0.04 2.53 2.96 0.10 -0.02 118.68 128.86 2jra s LEU 55 Ca -0.10 -0.50 0.06 0.00 -0.22 0.00 0.00 54.13 53.37 2jra s LEU 55 Cb -0.13 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 2jra s LEU 55 CO -0.01 -0.13 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.07 2jra s ARG 56 N 1.56 2.39 0.03 1.98 3.52 -0.41 -0.79 118.95 127.22 2jra s ARG 56 Ca 0.04 -0.83 0.04 0.00 -0.13 0.00 0.00 55.73 54.85 2jra s ARG 56 Cb -0.16 -2.21 -0.04 0.00 -1.56 0.00 0.00 34.95 30.98 2jra s ARG 56 CO 0.03 0.53 -0.06 -1.17 -0.81 0.00 0.00 175.30 173.83 2jra s LEU 57 N -0.52 3.22 0.00 -0.88 2.96 -0.58 -0.65 118.68 122.23 2jra s LEU 57 Ca 0.07 -0.17 -0.09 0.00 -0.22 0.00 0.00 54.13 53.72 2jra s LEU 57 Cb -0.11 -1.89 0.16 0.00 0.50 0.00 0.00 46.19 44.85 2jra s LEU 57 CO 0.01 0.25 1.01 0.35 -1.32 0.00 0.00 176.35 176.65 2jra n THR 58 N 1.29 0.00 -0.32 3.68 -2.24 -0.21 -4.90 114.28 111.59 2jra n THR 58 Ca -0.14 -0.96 0.13 0.00 -2.27 0.00 0.00 64.05 60.80 2jra n THR 58 Cb 0.52 -1.40 0.31 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 -1.14 0.48 0.00 3.42 0.02 -2.00 -3.42 113.55 110.90 2jra h SER 59 Ca -0.33 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2jra h SER 59 Cb 0.99 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2jra h SER 59 CO 0.26 0.08 0.00 1.67 -1.14 0.00 0.00 176.83 177.71 2jra n GLN 60 N -4.96 0.00 0.27 3.45 -0.06 -1.26 -5.06 117.38 109.77 2jra n GLN 60 Ca 0.22 0.00 -0.11 0.00 -2.00 0.00 0.00 57.00 55.11 2jra n GLN 60 Cb 0.63 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.76 2jra n GLN 60 CO 0.00 0.00 0.00 -2.95 -0.20 0.00 0.00 177.06 173.91 2jra h ASN 61 N 0.00 -0.60 -1.94 1.69 -1.07 -1.99 -3.48 115.58 108.19 2jra h ASN 61 Ca 0.00 0.02 -0.04 0.00 0.07 0.00 0.00 56.30 56.35 2jra h ASN 61 Cb 0.00 0.16 -0.01 0.00 -2.07 0.00 0.00 38.32 36.40 2jra h ASN 61 CO 0.00 -0.36 -0.02 2.29 0.07 0.00 0.00 177.43 179.40 2jra n LYS 62 N -4.27 0.10 -4.14 4.14 2.85 -1.26 -5.04 118.16 110.53 2jra n LYS 62 Ca -0.09 -0.40 -0.09 0.00 -1.05 0.00 0.00 58.31 56.67 2jra n LYS 62 Cb 0.28 0.39 -0.10 0.00 -0.65 0.00 0.00 35.03 34.95 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 0.21 -5.58 2.34 -1.26 -1.04 118.68 115.63 2jra s LEU 63 Ca 0.04 -1.07 -0.05 0.00 0.06 0.00 0.00 54.13 53.11 2jra s LEU 63 Cb -0.00 0.11 -0.03 0.00 -0.56 0.00 0.00 46.19 45.72 2jra s LEU 63 CO 0.03 -0.59 0.24 0.27 -1.06 0.00 0.00 176.35 175.24 2jra s ILE 64 N -3.83 0.01 0.08 1.48 -5.25 0.17 -5.00 121.20 108.85 2jra s ILE 64 Ca 0.14 -1.78 0.02 0.00 -0.99 0.00 0.00 60.65 58.05 2jra s ILE 64 Cb 0.07 -2.34 -0.04 0.00 2.95 0.00 0.00 42.46 43.10 2jra s ILE 64 CO -0.04 -0.05 0.14 -0.22 -1.79 0.00 0.00 174.94 172.98 2jra s LEU 65 N -3.10 4.05 0.26 0.37 2.96 -1.26 -1.29 118.68 120.67 2jra s LEU 65 Ca 0.32 0.11 -0.21 0.00 -0.22 0.00 0.00 54.13 54.12 2jra s LEU 65 Cb 0.04 -2.70 0.04 0.00 0.50 0.00 0.00 46.19 44.08 2jra s LEU 65 CO 0.10 0.17 0.82 0.28 -1.32 0.00 0.00 176.35 176.39 2jra s THR 66 N -1.46 0.00 0.00 3.68 -1.32 0.97 -4.94 115.64 112.57 2jra s THR 66 Ca 0.32 -0.88 0.00 0.00 -1.21 0.00 0.00 61.69 59.92 2jra s THR 66 Cb -0.12 -2.20 0.00 0.00 -1.51 0.00 0.00 72.50 68.67 2jra s THR 66 CO 0.25 0.00 0.00 0.29 -2.21 0.00 0.00 174.62 172.95