#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 3.46 0.37 0.03 1.00 -1.26 -5.02 119.30 117.88 2jra s MET 2 Ca 0.00 -1.87 0.07 0.00 0.00 0.00 0.00 55.69 53.89 2jra s MET 2 Cb 0.00 -4.58 -0.02 0.00 0.00 0.00 0.00 34.83 30.23 2jra s MET 2 CO 0.00 -1.56 0.39 0.95 0.00 0.00 0.00 175.02 174.81 2jra s THR 3 N 1.86 3.30 -0.33 2.05 -4.23 -1.26 -5.05 115.64 111.98 2jra s THR 3 Ca 0.22 -1.24 -0.28 0.00 -1.18 0.00 0.00 61.69 59.21 2jra s THR 3 Cb -0.12 -3.14 -0.01 0.00 1.34 0.00 0.00 72.50 70.57 2jra s THR 3 CO -0.05 -0.09 1.72 0.00 -0.54 0.00 0.00 174.62 175.66 2jra s ALA 4 N -2.34 2.94 -0.97 3.99 0.00 -1.26 -4.85 121.76 119.28 2jra s ALA 4 Ca 0.46 0.22 0.25 0.00 0.00 0.00 0.00 51.96 52.89 2jra s ALA 4 Cb -0.06 -3.99 1.04 0.00 0.00 0.00 0.00 23.12 20.11 2jra s ALA 4 CO 0.29 -2.53 1.79 0.45 0.00 0.00 0.00 175.76 175.77 2jra n SER 5 N 9.88 0.08 -4.59 0.00 2.88 -1.26 -4.81 113.62 115.79 2jra n SER 5 Ca 0.22 0.51 -0.51 0.00 -1.33 0.00 0.00 58.87 57.75 2jra n SER 5 Cb 0.47 -0.53 -0.06 0.00 -0.75 0.00 0.00 64.21 63.34 2jra n SER 5 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2jra n ASP 6 N -1.58 2.69 -1.22 -3.46 2.03 -1.26 -4.82 116.55 108.93 2jra n ASP 6 Ca 0.06 0.74 -0.04 0.00 0.52 0.00 0.00 54.79 56.06 2jra n ASP 6 Cb 0.30 -1.29 0.07 0.00 -0.72 0.00 0.00 41.12 39.49 2jra n ASP 6 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2jra n ARG 7 N 7.09 1.61 -1.48 -0.67 1.85 -1.26 -4.74 116.66 119.07 2jra n ARG 7 Ca 0.31 -0.89 -0.14 0.00 -1.00 0.00 0.00 57.85 56.14 2jra n ARG 7 Cb 0.24 -1.46 -0.05 0.00 -1.05 0.00 0.00 32.46 30.13 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 0.07 -1.05 -4.56 2.89 4.32 -1.26 -4.91 117.00 112.50 2jra n LEU 8 Ca 0.14 0.31 -0.29 0.00 -0.02 0.00 0.00 56.01 56.15 2jra n LEU 8 Cb 0.74 -2.05 -0.05 0.00 -1.62 0.00 0.00 43.42 40.45 2jra n LEU 8 CO 0.15 -0.66 1.39 -0.83 -1.22 0.00 0.00 177.39 176.22 2jra s GLY 9 N -2.81 0.19 -0.04 -0.72 0.00 -1.26 -4.89 107.32 97.78 2jra s GLY 9 Ca 0.00 -1.36 -0.13 0.00 0.00 0.00 0.00 44.72 43.23 2jra s GLY 9 CO 0.00 3.47 0.30 0.00 0.00 0.00 0.00 173.10 176.87 2jra s ALA 10 N 9.84 -0.76 -0.54 3.20 0.00 -1.26 -5.13 121.76 127.11 2jra s ALA 10 Ca 0.69 0.45 -0.02 0.00 0.00 0.00 0.00 51.96 53.08 2jra s ALA 10 Cb -0.08 -0.08 0.14 0.00 0.00 0.00 0.00 23.12 23.11 2jra s ALA 10 CO 0.03 -0.23 0.33 0.34 0.00 0.00 0.00 175.76 176.23 2jra s ASP 11 N -0.95 5.09 0.00 0.00 2.15 -1.26 -4.91 116.67 116.80 2jra s ASP 11 Ca -0.10 -2.62 0.24 0.00 0.43 0.00 0.00 52.55 50.50 2jra s ASP 11 Cb -0.05 -1.81 0.47 0.00 -0.30 0.00 0.00 42.92 41.23 2jra s ASP 11 CO 0.03 -0.40 1.42 -0.81 -0.17 0.00 0.00 175.17 175.24 2jra n PRO 12 N 3.78 2.20 -2.20 4.34 -0.04 -1.26 -4.93 135.00 136.89 2jra n PRO 12 Ca 0.04 -1.76 -0.42 0.00 -0.04 0.00 0.00 63.50 61.32 2jra n PRO 12 Cb 0.38 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 2jra n PRO 12 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2jra s THR 13 N -1.84 3.64 -0.29 0.52 -1.32 -1.26 -4.92 115.64 110.16 2jra s THR 13 Ca 0.33 0.58 -0.04 0.00 -1.21 0.00 0.00 61.69 61.35 2jra s THR 13 Cb 0.21 -4.05 0.16 0.00 -1.51 0.00 0.00 72.50 67.31 2jra s THR 13 CO 0.31 -0.80 0.58 -1.58 -2.21 0.00 0.00 174.62 170.92 2jra s GLN 14 N 5.72 0.54 -0.24 7.08 0.74 -1.26 -5.13 119.66 127.10 2jra s GLN 14 Ca 0.65 1.09 0.02 0.00 0.05 0.00 0.00 55.36 57.18 2jra s GLN 14 Cb -0.15 0.54 0.06 0.00 1.10 0.00 0.00 33.01 34.55 2jra s GLN 14 CO 0.29 -0.48 -0.09 0.00 -0.55 0.00 0.00 175.29 174.46 2jra s ALA 15 N 2.83 2.25 -0.38 1.58 0.00 -1.26 -5.07 121.76 121.70 2jra s ALA 15 Ca 0.11 -1.52 -0.31 0.00 0.00 0.00 0.00 51.96 50.24 2jra s ALA 15 Cb -0.14 -1.48 -0.09 0.00 0.00 0.00 0.00 23.12 21.41 2jra s ALA 15 CO -0.19 -1.14 2.28 0.00 0.00 0.00 0.00 175.76 176.71 2jra n ALA 16 N 4.56 1.20 -1.76 0.00 0.00 -1.26 -4.85 120.51 118.40 2jra n ALA 16 Ca -0.13 -0.31 -0.39 0.00 0.00 0.00 0.00 53.44 52.61 2jra n ALA 16 Cb 0.43 -2.78 -0.03 0.00 0.00 0.00 0.00 19.45 17.07 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 8.75 5.01 -0.02 0.00 0.01 -1.26 -4.93 113.70 121.25 2jra s SER 17 Ca 1.06 1.02 -0.30 0.00 1.31 0.00 0.00 55.95 59.04 2jra s SER 17 Cb -0.58 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.08 2jra s SER 17 CO 0.40 -2.45 1.51 -0.94 0.41 0.00 0.00 173.24 172.17 2jra s SER 18 N 9.67 6.76 0.38 2.44 1.04 -1.26 -5.02 113.70 127.71 2jra s SER 18 Ca 0.87 2.17 0.00 0.00 0.48 0.00 0.00 55.95 59.47 2jra s SER 18 Cb -0.19 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.38 2jra s SER 18 CO 0.27 -0.82 0.00 -0.81 0.98 0.00 0.00 173.24 172.86 2jra n PRO 19 N 6.11 0.50 0.00 4.02 -0.04 -1.26 -4.96 135.00 139.37 2jra n PRO 19 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2jra n PRO 19 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 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 4.23 -0.07 0.00 0.55 0.00 -1.20 -5.10 105.19 103.60 2jra n GLY 20 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.44 3.63 -0.02 0.00 -1.26 -4.90 105.19 102.20 2jra n GLY 21 Ca 0.00 -1.79 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.38 3.57 -0.02 4.61 0.00 -1.26 -5.07 121.76 122.21 2jra s ALA 22 Ca 0.00 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.10 2jra s ALA 22 Cb 0.00 -2.47 -0.01 0.00 0.00 0.00 0.00 23.12 20.63 2jra s ALA 22 CO 0.00 -0.41 -0.20 -0.98 0.00 0.00 0.00 175.76 174.16 2jra s ARG 23 N 1.51 1.69 -0.20 0.00 1.70 -1.26 -5.13 118.95 117.27 2jra s ARG 23 Ca 0.09 -0.73 -0.08 0.00 -0.47 0.00 0.00 55.73 54.55 2jra s ARG 23 Cb -0.15 -1.62 -0.04 0.00 -0.57 0.00 0.00 34.95 32.57 2jra s ARG 23 CO 0.08 0.42 0.07 0.00 -1.08 0.00 0.00 175.30 174.80 2jra s ALA 24 N -0.43 3.39 0.02 7.88 0.00 -1.26 -5.09 121.76 126.27 2jra s ALA 24 Ca 0.07 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.29 2jra s ALA 24 Cb -0.08 -1.99 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 2jra s ALA 24 CO -0.00 0.04 -0.22 0.14 0.00 0.00 0.00 175.76 175.72 2jra s VAL 25 N 0.62 1.79 0.20 0.00 -7.23 -1.26 -5.09 120.40 109.43 2jra s VAL 25 Ca 0.04 -1.14 0.05 0.00 -1.81 0.00 0.00 61.98 59.11 2jra s VAL 25 Cb -0.13 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 2jra s VAL 25 CO 0.01 0.34 0.24 -0.44 -0.31 0.00 0.00 175.10 174.95 2jra s SER 26 N -0.95 5.92 -0.12 4.85 0.01 -1.26 -5.11 113.70 117.04 2jra s SER 26 Ca 0.09 -0.04 0.03 0.00 1.31 0.00 0.00 55.95 57.34 2jra s SER 26 Cb -0.09 -1.65 0.01 0.00 0.21 0.00 0.00 66.02 64.50 2jra s SER 26 CO 0.01 0.00 -0.20 -0.63 0.41 0.00 0.00 173.24 172.83 2jra s ILE 27 N -1.90 1.86 -0.47 1.44 -1.09 -1.26 -4.74 121.20 115.04 2jra s ILE 27 Ca 0.33 -0.87 -0.09 0.00 -2.23 0.00 0.00 60.65 57.78 2jra s ILE 27 Cb -0.09 -1.64 0.12 0.00 -1.58 0.00 0.00 42.46 39.26 2jra s ILE 27 CO 0.26 0.51 0.34 0.68 -1.23 0.00 0.00 174.94 175.51 2jra s VAL 28 N 0.71 4.20 0.00 2.92 -7.23 -0.54 -4.77 120.40 115.69 2jra s VAL 28 Ca -0.11 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 2jra s VAL 28 Cb -0.16 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 33.02 2jra s VAL 28 CO 0.02 -0.76 0.00 0.61 -0.31 0.00 0.00 175.10 174.65 2jra n GLY 29 N 4.91 1.80 0.47 2.32 0.00 -1.26 -1.71 105.19 111.72 2jra n GLY 29 Ca -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 3.51 -0.16 -4.68 1.61 6.94 -1.26 -5.15 115.26 116.06 2jra n ASN 30 Ca 0.00 -0.87 -0.30 0.00 -0.02 0.00 0.00 54.58 53.39 2jra n ASN 30 Cb 0.00 0.05 -0.08 0.00 -2.36 0.00 0.00 39.78 37.39 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 2.52 -0.04 -3.83 0.74 -0.69 -5.11 119.66 113.25 2jra s GLN 31 Ca 0.00 -0.85 -0.30 0.00 0.05 0.00 0.00 55.36 54.26 2jra s GLN 31 Cb 0.00 -2.53 0.07 0.00 1.10 0.00 0.00 33.01 31.65 2jra s GLN 31 CO 0.00 0.54 0.66 -1.50 -0.55 0.00 0.00 175.29 174.44 2jra s ILE 32 N -1.30 0.00 -0.10 -2.34 2.07 -1.26 -1.47 121.20 116.80 2jra s ILE 32 Ca 0.25 -0.02 -0.05 0.00 -1.41 0.00 0.00 60.65 59.42 2jra s ILE 32 Cb -0.12 -0.98 -0.04 0.00 0.13 0.00 0.00 42.46 41.45 2jra s ILE 32 CO 0.18 -0.01 0.12 -0.62 -1.91 0.00 0.00 174.94 172.69 2jra s ASP 33 N -1.29 6.14 0.43 4.50 -1.08 -1.26 -5.00 116.67 119.11 2jra s ASP 33 Ca -0.10 0.39 0.18 0.00 -0.52 0.00 0.00 52.55 52.49 2jra s ASP 33 Cb -0.00 -1.93 0.96 0.00 -1.46 0.00 0.00 42.92 40.48 2jra s ASP 33 CO 0.08 0.39 1.90 0.77 0.52 0.00 0.00 175.17 178.83 2jra h SER 34 N 4.88 0.00 0.56 -0.34 4.64 -2.02 -2.74 113.55 118.53 2jra h SER 34 Ca -0.53 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.67 2jra h SER 34 Cb 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 2jra h SER 34 CO 0.58 0.27 -0.53 -0.09 -0.87 0.00 0.00 176.83 176.20 2jra h ARG 35 N 0.00 0.00 -0.41 4.77 9.65 -1.94 -1.46 114.38 124.99 2jra h ARG 35 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2jra h ARG 35 Cb 0.56 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.12 2jra h ARG 35 CO 0.04 0.53 0.26 0.93 2.80 0.00 0.00 179.97 184.52 2jra h GLU 36 N 0.00 0.54 -0.22 0.20 4.39 -1.91 0.29 114.58 117.88 2jra h GLU 36 Ca -0.01 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 2jra h GLU 36 Cb 0.95 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2jra h GLU 36 CO 0.07 0.38 -0.22 -0.07 -1.16 0.00 0.00 179.01 178.01 2jra h LEU 37 N 0.55 0.57 -3.74 1.33 3.38 -1.54 -3.24 115.31 112.62 2jra h LEU 37 Ca 0.15 -0.48 -0.39 0.00 0.09 0.00 0.00 57.88 57.25 2jra h LEU 37 Cb -0.04 -0.16 -0.23 0.00 0.09 0.00 0.00 40.66 40.32 2jra h LEU 37 CO -0.03 0.93 0.35 0.49 0.09 0.00 0.00 178.44 180.26 2jra n PHE 38 N -4.41 2.28 -0.24 1.13 3.72 -0.59 -4.60 117.46 114.75 2jra n PHE 38 Ca -0.05 -1.81 0.05 0.00 -0.05 0.00 0.00 57.45 55.59 2jra n PHE 38 Cb 0.42 -0.78 0.29 0.00 -0.94 0.00 0.00 39.48 38.47 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 1.02 1.06 -1.25 4.37 1.03 -0.45 -3.31 112.91 115.38 2jra h THR 39 Ca 0.47 -0.31 -0.43 0.00 -0.01 0.00 0.00 66.41 66.13 2jra h THR 39 Cb 2.30 0.08 -0.30 0.00 -1.07 0.00 0.00 68.15 69.16 2jra h THR 39 CO 0.83 0.17 -0.88 1.33 -0.01 0.00 0.00 175.52 176.96 2jra n VAL 40 N -4.47 -0.44 0.00 0.00 0.24 -1.26 -5.08 118.33 107.32 2jra n VAL 40 Ca 0.11 -3.07 0.00 0.00 -2.04 0.00 0.00 64.34 59.35 2jra n VAL 40 Cb 0.19 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 31.90 2jra n VAL 40 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2jra n ASP 41 N 1.50 0.00 0.00 -1.34 -0.08 -1.25 -3.21 116.55 112.17 2jra n ASP 41 Ca 0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.44 2jra n ASP 41 Cb 0.57 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.03 2jra n ASP 41 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2jra n ARG 42 N -0.17 2.76 -3.74 -0.67 0.63 -1.26 -4.68 116.66 109.53 2jra n ARG 42 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 2jra n ARG 42 Cb 0.00 -0.79 -0.10 0.00 0.45 0.00 0.00 32.46 32.02 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 -1.55 0.46 -0.01 -0.14 2.12 -1.26 -1.42 118.70 116.90 2jra s GLU 43 Ca 0.00 0.53 0.07 0.00 0.36 0.00 0.00 54.97 55.93 2jra s GLU 43 Cb 0.00 0.22 -0.02 0.00 0.26 0.00 0.00 34.13 34.60 2jra s GLU 43 CO 0.00 -0.06 -0.22 0.42 -0.54 0.00 0.00 175.26 174.87 2jra s ILE 44 N 0.19 1.71 -0.40 -3.70 -1.09 0.95 -4.98 121.20 113.87 2jra s ILE 44 Ca -0.00 -0.95 -0.11 0.00 -2.23 0.00 0.00 60.65 57.36 2jra s ILE 44 Cb -0.03 -1.42 0.05 0.00 -1.58 0.00 0.00 42.46 39.48 2jra s ILE 44 CO 0.01 0.46 0.25 -0.69 -1.23 0.00 0.00 174.94 173.74 2jra s VAL 45 N -0.53 4.56 -0.48 2.92 1.01 -1.26 0.41 120.40 127.03 2jra s VAL 45 Ca 0.08 -1.07 -0.21 0.00 0.00 0.00 0.00 61.98 60.78 2jra s VAL 45 Cb -0.08 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.68 2jra s VAL 45 CO -0.01 -0.38 0.71 -0.63 0.00 0.00 0.00 175.10 174.79 2jra s ILE 46 N 1.52 4.74 0.13 2.22 1.01 0.11 -4.88 121.20 126.05 2jra s ILE 46 Ca 0.03 0.02 -0.21 0.00 0.00 0.00 0.00 60.65 60.49 2jra s ILE 46 Cb -0.21 -4.30 -0.07 0.00 0.01 0.00 0.00 42.46 37.88 2jra s ILE 46 CO 0.05 -0.76 0.66 0.00 0.00 0.00 0.00 174.94 174.89 2jra s ALA 47 N 3.02 3.52 -0.26 9.38 0.00 -1.26 -0.11 121.76 136.04 2jra s ALA 47 Ca 0.23 0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.31 2jra s ALA 47 Cb -0.15 -2.75 0.13 0.00 0.00 0.00 0.00 23.12 20.35 2jra s ALA 47 CO 0.18 0.36 0.31 -1.58 0.00 0.00 0.00 175.76 175.02 2jra s HIS 48 N -1.23 -0.54 0.00 0.00 5.04 -0.69 -4.96 115.29 112.91 2jra s HIS 48 Ca 0.34 0.12 0.00 0.00 -1.54 0.00 0.00 55.06 53.99 2jra s HIS 48 Cb -0.20 -0.33 0.00 0.00 0.04 0.00 0.00 32.58 32.09 2jra s HIS 48 CO 0.21 -0.83 0.00 0.41 -2.34 0.00 0.00 174.74 172.19 2jra n GLY 49 N 5.33 2.06 0.00 1.59 0.00 -1.26 -2.78 105.19 110.13 2jra n GLY 49 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 3.95 0.00 -4.90 1.61 2.03 -1.26 -5.14 116.55 112.85 2jra n ASP 50 Ca 0.00 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.03 2jra n ASP 50 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 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 0.00 6.07 -0.16 1.67 2.15 -1.12 -5.08 116.67 120.20 2jra s ASP 51 Ca 0.00 1.00 0.01 0.00 0.43 0.00 0.00 52.55 53.99 2jra s ASP 51 Cb 0.00 -2.16 0.02 0.00 -0.30 0.00 0.00 42.92 40.48 2jra s ASP 51 CO 0.00 -0.79 -0.19 -0.13 -0.17 0.00 0.00 175.17 173.90 2jra s ARG 52 N -4.92 2.78 0.19 4.34 1.81 -1.26 -1.70 118.95 120.19 2jra s ARG 52 Ca 0.51 -0.75 0.05 0.00 -1.72 0.00 0.00 55.73 53.82 2jra s ARG 52 Cb -0.11 -2.40 -0.04 0.00 -0.45 0.00 0.00 34.95 31.96 2jra s ARG 52 CO 0.47 -0.19 0.18 0.71 -0.68 0.00 0.00 175.30 175.80 2jra s TYR 53 N 1.27 3.19 -0.23 -0.53 1.51 0.84 -4.78 117.35 118.62 2jra s TYR 53 Ca 0.03 -0.03 -0.00 0.00 -1.01 0.00 0.00 57.07 56.05 2jra s TYR 53 Cb -0.13 -1.50 0.06 0.00 -0.11 0.00 0.00 41.96 40.28 2jra s TYR 53 CO -0.11 0.51 -0.02 1.03 -1.11 0.00 0.00 175.55 175.86 2jra s ARG 54 N -3.40 1.32 -0.41 -0.62 0.52 0.17 0.06 118.95 116.58 2jra s ARG 54 Ca 0.32 -0.86 -0.21 0.00 -0.52 0.00 0.00 55.73 54.46 2jra s ARG 54 Cb -0.09 -2.45 0.02 0.00 0.52 0.00 0.00 34.95 32.94 2jra s ARG 54 CO 0.25 -0.64 0.66 -1.17 0.02 0.00 0.00 175.30 174.42 2jra s LEU 55 N 1.52 4.39 0.00 2.53 2.96 0.17 -1.10 118.68 129.14 2jra s LEU 55 Ca -0.03 -0.16 0.08 0.00 -0.22 0.00 0.00 54.13 53.79 2jra s LEU 55 Cb -0.18 -2.78 -0.02 0.00 0.50 0.00 0.00 46.19 43.70 2jra s LEU 55 CO -0.08 -0.74 -0.24 -0.60 -1.32 0.00 0.00 176.35 173.37 2jra s ARG 56 N 2.86 1.87 -0.12 1.98 3.52 -0.46 -0.03 118.95 128.56 2jra s ARG 56 Ca 0.24 -0.93 -0.02 0.00 -0.13 0.00 0.00 55.73 54.89 2jra s ARG 56 Cb -0.14 -1.88 -0.03 0.00 -1.56 0.00 0.00 34.95 31.34 2jra s ARG 56 CO 0.18 0.51 -0.05 -1.17 -0.81 0.00 0.00 175.30 173.96 2jra s LEU 57 N -0.79 3.20 0.00 -0.88 0.20 -0.51 -0.69 118.68 119.22 2jra s LEU 57 Ca 0.10 -0.09 -0.14 0.00 0.69 0.00 0.00 54.13 54.68 2jra s LEU 57 Cb -0.09 -1.74 0.19 0.00 -0.43 0.00 0.00 46.19 44.12 2jra s LEU 57 CO 0.00 0.24 1.02 0.35 -0.29 0.00 0.00 176.35 177.67 2jra n THR 58 N 3.05 0.00 -1.94 3.68 -2.24 0.29 -4.86 114.28 112.26 2jra n THR 58 Ca -0.18 -0.70 -0.28 0.00 -2.27 0.00 0.00 64.05 60.63 2jra n THR 58 Cb 0.53 -1.52 -0.07 0.00 -2.10 0.00 0.00 70.33 67.16 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 -3.85 2.82 0.00 3.42 7.64 -1.26 -4.25 113.62 118.14 2jra n SER 59 Ca 0.13 -2.67 0.00 0.00 1.01 0.00 0.00 58.87 57.34 2jra n SER 59 Cb 0.46 -1.69 0.00 0.00 -1.01 0.00 0.00 64.21 61.97 2jra n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jra n GLN 60 N 8.18 0.00 0.04 1.43 6.02 -1.26 -4.79 117.38 127.00 2jra n GLN 60 Ca 0.45 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.42 2jra n GLN 60 Cb 0.46 -1.33 -0.01 0.00 1.02 0.00 0.00 30.24 30.38 2jra n GLN 60 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 2jra h ASN 61 N 0.00 -0.15 -0.62 1.08 -0.73 -1.98 -3.48 115.58 109.70 2jra h ASN 61 Ca 0.00 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.18 2jra h ASN 61 Cb 0.00 0.05 0.00 0.00 0.27 0.00 0.00 38.32 38.64 2jra h ASN 61 CO 0.00 -0.08 0.00 2.29 -0.37 0.00 0.00 177.43 179.27 2jra n LYS 62 N -2.55 0.00 -4.22 6.67 -0.00 -1.26 -5.03 118.16 111.77 2jra n LYS 62 Ca -0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.17 2jra n LYS 62 Cb 0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 34.98 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 2.38 0.19 -5.58 2.34 -1.26 -0.55 118.68 116.20 2jra s LEU 63 Ca 0.00 -1.07 -0.07 0.00 0.06 0.00 0.00 54.13 53.05 2jra s LEU 63 Cb 0.00 -0.14 -0.02 0.00 -0.56 0.00 0.00 46.19 45.47 2jra s LEU 63 CO 0.00 -0.47 0.26 0.27 -1.06 0.00 0.00 176.35 175.36 2jra s ILE 64 N -3.55 0.04 -0.21 1.48 -5.25 0.14 -4.98 121.20 108.86 2jra s ILE 64 Ca 0.17 -1.61 0.01 0.00 -0.99 0.00 0.00 60.65 58.24 2jra s ILE 64 Cb 0.05 -2.12 0.05 0.00 2.95 0.00 0.00 42.46 43.39 2jra s ILE 64 CO -0.00 -0.17 -0.10 -0.22 -1.79 0.00 0.00 174.94 172.65 2jra s LEU 65 N -3.04 2.51 0.28 0.37 2.96 -1.26 -1.35 118.68 119.15 2jra s LEU 65 Ca 0.25 -1.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.19 2jra s LEU 65 Cb 0.04 -1.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.40 2jra s LEU 65 CO 0.05 -0.16 0.23 0.28 -1.32 0.00 0.00 176.35 175.43 2jra s THR 66 N 1.34 0.00 0.00 3.68 -1.32 -0.26 -4.97 115.64 114.11 2jra s THR 66 Ca -0.03 -1.99 0.00 0.00 -1.21 0.00 0.00 61.69 58.46 2jra s THR 66 Cb -0.17 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 2jra s THR 66 CO -0.08 0.00 0.00 2.29 -2.21 0.00 0.00 174.62 174.62