#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmk s THR 2 N 0.00 4.48 -0.47 3.17 2.01 -0.81 -5.02 115.64 119.01 2jmk s THR 2 Ca 0.00 -1.08 -0.21 0.00 0.31 0.00 0.00 61.69 60.72 2jmk s THR 2 Cb 0.00 -3.60 0.04 0.00 0.01 0.00 0.00 72.50 68.94 2jmk s THR 2 CO 0.00 -0.36 0.69 -0.76 -0.69 0.00 0.00 174.62 173.50 2jmk s LEU 3 N 1.51 4.54 0.40 4.42 1.43 -1.26 -0.10 118.68 129.63 2jmk s LEU 3 Ca 0.02 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 52.73 2jmk s LEU 3 Cb -0.21 -2.69 -0.07 0.00 0.03 0.00 0.00 46.19 43.25 2jmk s LEU 3 CO 0.05 -0.88 0.03 0.00 0.23 0.00 0.00 176.35 175.78 2jmk s ALA 5 N -2.67 1.01 -0.13 0.00 0.00 0.85 -0.46 121.76 120.35 2jmk s ALA 5 Ca 0.36 -1.41 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 2jmk s ALA 5 Cb 0.08 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 2jmk s ALA 5 CO 0.19 -0.31 -0.00 -1.64 0.00 0.00 0.00 175.76 174.00 2jmk s MET 6 N -3.89 3.47 -0.29 0.00 -1.94 -0.38 -1.25 119.30 115.03 2jmk s MET 6 Ca 0.16 -0.44 0.03 0.00 -1.71 0.00 0.00 55.69 53.73 2jmk s MET 6 Cb 0.06 -2.93 0.07 0.00 2.01 0.00 0.00 34.83 34.05 2jmk s MET 6 CO -0.02 0.42 -0.05 -0.47 -0.01 0.00 0.00 175.02 174.89 2jmk s TYR 7 N -0.10 3.41 -0.48 -0.03 6.14 0.78 -1.00 117.35 126.07 2jmk s TYR 7 Ca 0.04 -2.55 -0.20 0.00 0.64 0.00 0.00 57.07 54.99 2jmk s TYR 7 Cb -0.13 -2.27 0.04 0.00 0.42 0.00 0.00 41.96 40.02 2jmk s TYR 7 CO 0.02 -0.90 0.67 1.21 0.64 0.00 0.00 175.55 177.19 2jmk s ASN 8 N 1.04 6.28 -0.17 4.32 3.84 0.84 -0.16 114.94 130.93 2jmk s ASN 8 Ca -0.02 -0.57 0.01 0.00 0.21 0.00 0.00 52.86 52.49 2jmk s ASN 8 Cb -0.20 -2.32 0.01 0.00 -0.55 0.00 0.00 41.25 38.19 2jmk s ASN 8 CO -0.06 -0.88 -0.19 -0.51 -2.79 0.00 0.00 177.10 172.68 2jmk s ILE 9 N 2.88 2.26 -0.09 -5.21 2.07 -0.49 -0.09 121.20 122.53 2jmk s ILE 9 Ca 0.20 -0.89 0.00 0.00 -1.41 0.00 0.00 60.65 58.56 2jmk s ILE 9 Cb -0.16 -1.94 0.02 0.00 0.13 0.00 0.00 42.46 40.51 2jmk s ILE 9 CO 0.16 0.53 -0.07 -0.55 -1.91 0.00 0.00 174.94 173.10 2jmk s SER 10 N 1.10 1.83 0.36 4.50 0.15 0.86 -0.29 113.70 122.22 2jmk s SER 10 Ca 0.00 -0.24 -0.13 0.00 0.70 0.00 0.00 55.95 56.28 2jmk s SER 10 Cb -0.14 -0.72 -0.08 0.00 -1.71 0.00 0.00 66.02 63.37 2jmk s SER 10 CO -0.07 -0.09 0.75 -0.32 1.20 0.00 0.00 173.24 174.71 2jmk s MET 11 N 1.43 3.89 -0.28 5.44 1.75 -1.26 -0.17 119.30 130.10 2jmk s MET 11 Ca -0.01 0.57 -0.36 0.00 -1.25 0.00 0.00 55.69 54.64 2jmk s MET 11 Cb -0.13 -2.41 -0.12 0.00 2.84 0.00 0.00 34.83 35.00 2jmk s MET 11 CO -0.04 0.06 2.04 0.00 -0.65 0.00 0.00 175.02 176.44 2jmk n ALA 12 N -0.81 0.83 -2.13 4.11 0.00 -1.26 -1.65 120.51 119.60 2jmk n ALA 12 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2jmk n ALA 12 Cb 0.54 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.49 2jmk n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jmk n GLY 13 N 5.63 0.59 3.64 0.00 0.00 -1.26 -4.88 105.19 108.92 2jmk n GLY 13 Ca 0.34 -0.53 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 2jmk n GLY 13 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jmk s SER 14 N -2.98 -0.49 0.84 1.61 0.01 -0.66 -5.13 113.70 106.90 2jmk s SER 14 Ca 0.00 0.87 -0.14 0.00 1.31 0.00 0.00 55.95 57.99 2jmk s SER 14 Cb 0.00 1.01 -0.00 0.00 0.21 0.00 0.00 66.02 67.23 2jmk s SER 14 CO 0.00 -0.15 0.46 0.00 0.41 0.00 0.00 173.24 173.96 2jmk n HIS 15 N 2.81 -1.15 -2.15 2.43 -0.00 -1.26 -4.09 115.22 111.80 2jmk n HIS 15 Ca -0.15 0.29 -0.35 0.00 -0.00 0.00 0.00 57.72 57.51 2jmk n HIS 15 Cb 0.57 -1.85 0.01 0.00 -0.00 0.00 0.00 29.99 28.72 2jmk n HIS 15 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2jmk s PRO 16 N -3.20 3.24 -0.18 -1.40 0.04 -1.26 -4.54 135.00 127.69 2jmk s PRO 16 Ca 0.61 1.56 0.01 0.00 0.04 0.00 0.00 61.00 63.22 2jmk s PRO 16 Cb -0.28 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.29 2jmk s PRO 16 CO 0.63 -0.93 -0.18 0.99 0.04 0.00 0.00 177.00 177.55 2jmk s THR 17 N -1.89 1.98 -0.53 1.26 2.01 0.60 -4.95 115.64 114.11 2jmk s THR 17 Ca 0.71 -0.96 -0.25 0.00 0.31 0.00 0.00 61.69 61.51 2jmk s THR 17 Cb -0.23 -1.83 0.04 0.00 0.01 0.00 0.00 72.50 70.48 2jmk s THR 17 CO 0.30 0.46 0.96 -0.89 -0.69 0.00 0.00 174.62 174.76 2jmk s THR 18 N 1.31 4.38 -0.35 -0.82 2.01 -1.26 -1.40 115.64 119.50 2jmk s THR 18 Ca 0.03 0.44 -0.05 0.00 0.31 0.00 0.00 61.69 62.42 2jmk s THR 18 Cb -0.14 -4.53 0.06 0.00 0.01 0.00 0.00 72.50 67.90 2jmk s THR 18 CO -0.12 -1.07 0.12 -0.63 -0.69 0.00 0.00 174.62 172.24 2jmk s ILE 19 N 3.99 3.62 -0.08 1.82 1.01 0.77 -4.93 121.20 127.41 2jmk s ILE 19 Ca 0.33 -1.36 -0.23 0.00 0.00 0.00 0.00 60.65 59.39 2jmk s ILE 19 Cb -0.11 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 2jmk s ILE 19 CO 0.21 -0.29 0.68 0.00 0.00 0.00 0.00 174.94 175.55 2jmk s VAL 21 N 0.84 0.04 0.91 0.00 1.01 -0.38 -3.32 120.40 119.51 2jmk s VAL 21 Ca 0.36 -0.36 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 2jmk s VAL 21 Cb -0.17 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 35.87 2jmk s VAL 21 CO 0.17 -0.20 0.42 1.33 0.00 0.00 0.00 175.10 176.82 2jmk n VAL 22 N 2.16 0.37 0.18 2.92 0.24 -1.26 -0.11 118.33 122.84 2jmk n VAL 22 Ca -0.18 -0.24 0.06 0.00 -2.04 0.00 0.00 64.34 61.95 2jmk n VAL 22 Cb 0.57 -0.64 0.28 0.00 -1.47 0.00 0.00 33.84 32.58 2jmk n VAL 22 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jmk h MET 23 N -1.32 0.00 0.00 7.34 -0.00 -1.40 0.24 114.93 119.79 2jmk h MET 23 Ca -0.44 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.17 2jmk h MET 23 Cb 1.29 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.88 2jmk h MET 23 CO 0.36 0.36 -0.46 -0.44 -0.00 0.00 0.00 176.91 176.73 2jmk h ASP 24 N 0.00 0.00 -0.00 -0.10 3.32 -1.90 -3.22 116.42 114.52 2jmk h ASP 24 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jmk h ASP 24 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 2jmk h ASP 24 CO 0.05 0.46 -0.54 -1.14 -1.72 0.00 0.00 179.24 176.35 2jmk n ARG 25 N -3.36 2.38 -0.21 3.56 0.63 -1.13 -4.56 116.66 113.97 2jmk n ARG 25 Ca 0.01 -0.21 0.01 0.00 -0.92 0.00 0.00 57.85 56.75 2jmk n ARG 25 Cb 0.64 -1.15 0.12 0.00 0.45 0.00 0.00 32.46 32.52 2jmk n ARG 25 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 2jmk h PHE 26 N 0.44 0.24 0.19 -0.14 3.57 -0.52 -0.80 116.94 119.91 2jmk h PHE 26 Ca 0.00 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.55 2jmk h PHE 26 Cb 0.36 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 2jmk h PHE 26 CO 0.00 -0.02 -0.28 1.25 -2.23 0.00 0.00 178.31 177.03 2jmk h LEU 27 N 0.28 -0.78 -0.55 0.59 5.85 -1.80 -1.25 115.31 117.65 2jmk h LEU 27 Ca 0.33 0.08 0.09 0.00 0.84 0.00 0.00 57.88 59.22 2jmk h LEU 27 Cb 0.50 0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.74 2jmk h LEU 27 CO -0.41 -0.38 0.17 -0.08 -0.34 0.00 0.00 178.44 177.39 2jmk h GLU 28 N -0.53 0.32 -0.29 1.25 4.22 -1.68 -0.85 114.58 117.00 2jmk h GLU 28 Ca 0.01 -0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.49 2jmk h GLU 28 Cb 0.53 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 2jmk h GLU 28 CO -0.12 0.21 -0.01 1.03 -2.18 0.00 0.00 179.01 177.94 2jmk h SER 29 N 0.32 -0.14 -0.76 1.04 0.87 -0.76 -1.22 113.55 112.90 2jmk h SER 29 Ca 0.28 0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.91 2jmk h SER 29 Cb 0.35 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.40 2jmk h SER 29 CO -0.31 -0.04 0.50 0.15 -0.53 0.00 0.00 176.83 176.61 2jmk h PHE 30 N 0.07 0.95 -0.22 2.24 3.04 -0.50 0.20 116.94 122.72 2jmk h PHE 30 Ca 0.14 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.14 2jmk h PHE 30 Cb 0.19 -0.32 -0.03 0.00 2.56 0.00 0.00 35.95 38.36 2jmk h PHE 30 CO -0.23 0.60 0.06 1.03 -2.02 0.00 0.00 178.31 177.75 2jmk h SER 31 N 1.03 0.05 0.24 0.41 0.87 -0.45 -1.14 113.55 114.57 2jmk h SER 31 Ca 0.28 0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.74 2jmk h SER 31 Cb -0.11 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2jmk h SER 31 CO -0.06 0.06 -0.51 -0.08 -0.53 0.00 0.00 176.83 175.71 2jmk h GLU 32 N 0.16 0.30 -0.58 2.24 4.57 -0.94 -3.13 114.58 117.20 2jmk h GLU 32 Ca 0.10 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 2jmk h GLU 32 Cb 0.08 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 2jmk h GLU 32 CO -0.11 0.74 0.34 1.25 -1.18 0.00 0.00 179.01 180.04 2jmk h LEU 33 N 0.24 0.71 -2.59 1.64 7.12 -0.07 -0.94 115.31 121.42 2jmk h LEU 33 Ca 0.01 -0.07 0.01 0.00 0.13 0.00 0.00 57.88 57.96 2jmk h LEU 33 Cb 0.98 -0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.93 2jmk h LEU 33 CO 0.08 0.57 0.10 0.22 -0.13 0.00 0.00 178.44 179.29 2jmk h TYR 34 N 0.78 0.00 0.00 1.25 3.20 -1.16 0.11 116.97 121.15 2jmk h TYR 34 Ca 0.21 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 2jmk h TYR 34 Cb 0.01 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2jmk h TYR 34 CO -0.02 0.00 -0.41 -0.44 -1.64 0.00 0.00 178.16 175.66 2jmk h ASP 35 N 0.00 0.00 -0.76 -2.11 3.32 -1.34 -3.38 116.42 112.16 2jmk h ASP 35 Ca 0.02 0.00 0.17 0.00 0.02 0.00 0.00 57.03 57.23 2jmk h ASP 35 Cb 0.22 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.73 2jmk h ASP 35 CO -0.00 0.64 0.51 -0.29 -1.72 0.00 0.00 179.24 178.38 2jmk h ILE 36 N -0.88 0.75 -0.38 0.35 2.10 -1.07 0.13 117.51 118.51 2jmk h ILE 36 Ca 0.00 -0.11 0.11 0.00 1.08 0.00 0.00 64.86 65.94 2jmk h ILE 36 Cb 0.41 0.40 -0.02 0.00 -1.09 0.00 0.00 36.82 36.52 2jmk h ILE 36 CO 0.00 0.06 0.29 -0.29 -1.08 0.00 0.00 178.15 177.13 2jmk h ILE 37 N 0.32 0.72 -0.40 2.19 6.09 -0.96 0.30 117.51 125.78 2jmk h ILE 37 Ca 0.37 0.00 -0.20 0.00 -1.37 0.00 0.00 64.86 63.66 2jmk h ILE 37 Cb 0.99 0.79 -0.12 0.00 0.47 0.00 0.00 36.82 38.95 2jmk h ILE 37 CO -0.10 0.00 -0.03 -0.67 -3.07 0.00 0.00 178.15 174.27 2jmk n ASP 38 N -4.29 2.57 -0.20 2.19 2.03 0.42 -4.43 116.55 114.84 2jmk n ASP 38 Ca 0.06 -3.77 0.05 0.00 0.52 0.00 0.00 54.79 51.65 2jmk n ASP 38 Cb 0.47 -0.65 -0.00 0.00 -0.72 0.00 0.00 41.12 40.22 2jmk n ASP 38 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2jmk n GLU 39 N -1.12 2.22 -2.44 -0.67 1.02 0.09 -4.98 120.64 114.77 2jmk n GLU 39 Ca 0.35 -0.55 -0.13 0.00 -0.02 0.00 0.00 57.16 56.81 2jmk n GLU 39 Cb 1.08 -1.06 -0.01 0.00 -0.02 0.00 0.00 31.44 31.44 2jmk n GLU 39 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2jmk n ASN 40 N -0.32 -3.99 -4.38 1.62 4.13 -1.25 -4.89 115.26 106.19 2jmk n ASN 40 Ca 0.04 0.19 -0.45 0.00 1.68 0.00 0.00 54.58 56.03 2jmk n ASN 40 Cb 0.19 -3.38 -0.03 0.00 -1.54 0.00 0.00 39.78 35.02 2jmk n ASN 40 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2jmk s ASP 41 N -2.03 6.48 -0.16 6.41 1.11 -1.26 -4.86 116.67 122.36 2jmk s ASP 41 Ca 0.00 -1.98 -0.23 0.00 0.18 0.00 0.00 52.55 50.52 2jmk s ASP 41 Cb -0.00 -2.30 -0.24 0.00 1.07 0.00 0.00 42.92 41.45 2jmk s ASP 41 CO 0.00 -0.94 0.52 0.71 1.18 0.00 0.00 175.17 176.64 2jmk h THR 42 N 5.56 1.29 -0.24 -1.27 1.35 -1.96 -2.97 112.91 114.67 2jmk h THR 42 Ca -0.05 -2.30 0.07 0.00 -0.55 0.00 0.00 66.41 63.57 2jmk h THR 42 Cb 1.06 2.79 -0.01 0.00 -1.73 0.00 0.00 68.15 70.26 2jmk h THR 42 CO 1.00 0.52 0.20 0.44 -0.25 0.00 0.00 175.52 177.43 2jmk h ASP 43 N -0.83 0.00 1.21 5.36 3.32 -2.02 0.12 116.42 123.57 2jmk h ASP 43 Ca -0.20 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 2jmk h ASP 43 Cb 1.30 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.85 2jmk h ASP 43 CO -0.06 0.00 -0.80 0.58 -1.72 0.00 0.00 179.24 177.24 2jmk h VAL 44 N 0.00 0.01 -0.21 -1.35 2.07 -1.97 -3.37 116.25 111.44 2jmk h VAL 44 Ca 0.11 -1.02 0.05 0.00 0.82 0.00 0.00 66.70 66.66 2jmk h VAL 44 Cb 0.52 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.85 2jmk h VAL 44 CO -0.00 0.01 -0.18 -0.03 0.02 0.00 0.00 177.57 177.38 2jmk h MET 45 N 0.00 -0.19 -0.66 1.57 -1.53 -0.59 0.11 114.93 113.65 2jmk h MET 45 Ca -0.00 0.01 0.12 0.00 -3.44 0.00 0.00 59.70 56.39 2jmk h MET 45 Cb 1.01 0.04 -0.09 0.00 -0.55 0.00 0.00 31.60 32.02 2jmk h MET 45 CO 0.00 -0.12 0.21 0.00 0.14 0.00 0.00 176.91 177.13 2jmk h MET 46 N -0.19 0.34 -0.55 0.39 -0.00 -1.72 0.08 114.93 113.28 2jmk h MET 46 Ca 0.12 -0.02 -0.06 0.00 -0.00 0.00 0.00 59.70 59.74 2jmk h MET 46 Cb 0.38 -0.08 -0.02 0.00 -0.00 0.00 0.00 31.60 31.88 2jmk h MET 46 CO -0.32 0.23 0.11 0.22 -0.00 0.00 0.00 176.91 177.15 2jmk h ASP 47 N 0.35 0.85 -0.46 -0.10 1.82 -1.53 -1.15 116.42 116.19 2jmk h ASP 47 Ca 0.35 -0.25 -0.01 0.00 -0.39 0.00 0.00 57.03 56.73 2jmk h ASP 47 Cb 0.50 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 2jmk h ASP 47 CO -0.38 0.87 0.26 0.15 -1.61 0.00 0.00 179.24 178.53 2jmk h PHE 48 N 0.78 0.66 -0.02 0.28 3.04 0.48 0.28 116.94 122.44 2jmk h PHE 48 Ca 0.17 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.08 2jmk h PHE 48 Cb 0.37 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.67 2jmk h PHE 48 CO 0.03 0.47 -0.10 0.82 -2.02 0.00 0.00 178.31 177.50 2jmk h ILE 49 N 0.68 1.52 0.00 1.41 2.04 -0.73 -0.75 117.51 121.69 2jmk h ILE 49 Ca 0.17 -1.68 -0.00 0.00 1.00 0.00 0.00 64.86 64.36 2jmk h ILE 49 Cb 0.03 2.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.70 2jmk h ILE 49 CO -0.03 0.45 -0.01 -1.28 0.00 0.00 0.00 178.15 177.28 2jmk h SER 50 N -0.54 0.00 0.07 1.72 0.87 -1.02 0.31 113.55 114.95 2jmk h SER 50 Ca -0.01 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.35 2jmk h SER 50 Cb 0.79 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 2jmk h SER 50 CO 0.02 0.01 -1.05 0.03 -0.53 0.00 0.00 176.83 175.32 2jmk h ARG 51 N 0.00 0.14 0.00 2.24 2.47 -0.44 -3.41 114.38 115.38 2jmk h ARG 51 Ca -0.00 -0.25 -0.00 0.00 -1.26 0.00 0.00 59.98 58.47 2jmk h ARG 51 Cb 0.47 0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.88 2jmk h ARG 51 CO 0.00 1.12 -0.02 0.74 0.56 0.00 0.00 179.97 182.37 2jmk h PHE 52 N -0.61 0.00 -4.00 3.04 -1.00 -1.05 -3.46 116.94 109.86 2jmk h PHE 52 Ca -0.24 0.00 -0.54 0.00 2.81 0.00 0.00 57.97 60.00 2jmk h PHE 52 Cb 1.50 0.00 0.12 0.00 3.61 0.00 0.00 35.95 41.17 2jmk h PHE 52 CO 0.16 0.08 0.66 0.00 -1.61 0.00 0.00 178.31 177.60 2jmk s ALA 53 N -2.53 3.14 -0.88 2.45 0.00 0.11 -4.84 121.76 119.21 2jmk s ALA 53 Ca -0.02 1.39 -0.10 0.00 0.00 0.00 0.00 51.96 53.22 2jmk s ALA 53 Cb -0.00 -3.56 0.23 0.00 0.00 0.00 0.00 23.12 19.78 2jmk s ALA 53 CO 0.06 -1.16 0.82 1.03 0.00 0.00 0.00 175.76 176.51 2jmk s ARG 54 N -2.53 3.61 -1.17 0.00 1.81 -1.21 -4.63 118.95 114.83 2jmk s ARG 54 Ca 0.63 -2.73 -0.16 0.00 -1.72 0.00 0.00 55.73 51.74 2jmk s ARG 54 Cb -0.42 -4.34 -0.05 0.00 -0.45 0.00 0.00 34.95 29.69 2jmk s ARG 54 CO 0.53 -1.26 2.17 -2.37 -0.68 0.00 0.00 175.30 173.69 2jmk n THR 55 N 3.45 2.83 -4.41 0.02 5.66 -1.26 -4.85 114.28 115.72 2jmk n THR 55 Ca 0.16 -2.31 -0.18 0.00 -3.05 0.00 0.00 64.05 58.68 2jmk n THR 55 Cb 0.43 -2.46 -0.04 0.00 -1.55 0.00 0.00 70.33 66.71 2jmk n THR 55 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2jmk n ASP 56 N 6.24 2.56 -1.14 1.09 8.00 -1.26 -5.06 116.55 126.97 2jmk n ASP 56 Ca 0.53 -2.25 -0.05 0.00 0.71 0.00 0.00 54.79 53.72 2jmk n ASP 56 Cb 0.36 0.25 0.14 0.00 -0.02 0.00 0.00 41.12 41.85 2jmk n ASP 56 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2jmk n GLU 57 N -0.69 2.35 -4.32 -1.24 -0.58 -1.26 -5.01 120.64 109.89 2jmk n GLU 57 Ca -0.11 -3.62 -0.34 0.00 -0.42 0.00 0.00 57.16 52.67 2jmk n GLU 57 Cb 0.36 -1.87 -0.13 0.00 -0.57 0.00 0.00 31.44 29.23 2jmk n GLU 57 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 2jmk s ILE 58 N -3.75 3.78 -0.46 -3.67 2.07 -1.26 -5.01 121.20 112.90 2jmk s ILE 58 Ca 0.43 -0.39 0.05 0.00 -1.41 0.00 0.00 60.65 59.33 2jmk s ILE 58 Cb 0.39 -2.67 0.27 0.00 0.13 0.00 0.00 42.46 40.58 2jmk s ILE 58 CO -0.03 0.47 1.01 0.23 -1.91 0.00 0.00 174.94 174.72 2jmk n MET 59 N 3.81 0.73 -0.03 3.50 2.81 -1.26 -4.98 117.12 121.71 2jmk n MET 59 Ca -0.17 -1.61 -0.13 0.00 -1.81 0.00 0.00 57.70 53.98 2jmk n MET 59 Cb 0.52 -1.15 -0.09 0.00 -0.71 0.00 0.00 33.22 31.79 2jmk n MET 59 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2jmk h PRO 60 N 3.56 0.14 -0.09 0.03 0.13 -1.99 -3.36 132.00 130.41 2jmk h PRO 60 Ca -0.16 -0.07 -0.15 0.00 -0.87 0.00 0.00 66.00 64.75 2jmk h PRO 60 Cb 1.08 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.94 2jmk h PRO 60 CO 0.20 0.59 -0.86 0.39 -0.23 0.00 0.00 178.00 178.09 2jmk n GLU 61 N -4.74 0.91 -1.61 0.86 -0.58 -1.26 -5.04 120.64 109.19 2jmk n GLU 61 Ca -0.08 -2.71 -0.49 0.00 -0.42 0.00 0.00 57.16 53.46 2jmk n GLU 61 Cb 0.29 -0.83 -0.05 0.00 -0.57 0.00 0.00 31.44 30.29 2jmk n GLU 61 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2jmk n ASP 62 N -0.20 2.02 -3.67 1.62 5.75 -1.26 -1.92 116.55 118.89 2jmk n ASP 62 Ca 0.13 1.12 -0.14 0.00 -0.01 0.00 0.00 54.79 55.88 2jmk n ASP 62 Cb 0.96 -1.27 -0.14 0.00 -1.03 0.00 0.00 41.12 39.64 2jmk n ASP 62 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2jmk s LYS 63 N 0.37 0.12 0.23 0.11 2.20 0.86 -4.90 119.74 118.73 2jmk s LYS 63 Ca 0.80 0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 56.81 2jmk s LYS 63 Cb -0.85 -0.09 -0.09 0.00 -1.51 0.00 0.00 37.83 35.29 2jmk s LYS 63 CO 0.46 -0.28 1.30 0.99 -0.36 0.00 0.00 175.35 177.46 2jmk s THR 64 N 2.32 3.11 -0.01 3.43 2.01 -1.26 -0.88 115.64 124.36 2jmk s THR 64 Ca 0.01 0.95 0.07 0.00 0.31 0.00 0.00 61.69 63.03 2jmk s THR 64 Cb -0.12 -3.61 -0.10 0.00 0.01 0.00 0.00 72.50 68.68 2jmk s THR 64 CO -0.08 0.16 0.14 1.33 -0.69 0.00 0.00 174.62 175.48 2jmk n VAL 65 N 2.20 0.03 0.00 3.82 0.24 0.39 -4.88 118.33 120.12 2jmk n VAL 65 Ca 0.05 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2jmk n VAL 65 Cb 0.43 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.07 2jmk n VAL 65 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jmk n GLY 66 N 2.15 1.18 3.06 7.63 0.00 -1.26 -0.20 105.19 117.75 2jmk n GLY 66 Ca -0.02 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.21 2jmk n GLY 66 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jmk s PHE 67 N -2.00 0.86 -0.04 1.61 -0.12 0.88 -1.25 117.98 117.92 2jmk s PHE 67 Ca 0.00 -0.28 0.07 0.00 -0.05 0.00 0.00 56.93 56.68 2jmk s PHE 67 Cb 0.00 -0.53 -0.02 0.00 -0.63 0.00 0.00 43.02 41.85 2jmk s PHE 67 CO 0.00 -0.01 -0.25 0.08 -0.05 0.00 0.00 175.22 174.98 2jmk s VAL 68 N -0.64 2.04 -0.18 -2.49 1.01 -0.17 -0.18 120.40 119.79 2jmk s VAL 68 Ca -0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 2jmk s VAL 68 Cb -0.06 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.61 2jmk s VAL 68 CO 0.00 0.57 -0.10 -0.69 0.00 0.00 0.00 175.10 174.88 2jmk s VAL 69 N -0.41 3.00 -0.19 2.92 1.01 -0.15 -0.11 120.40 126.46 2jmk s VAL 69 Ca 0.04 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 2jmk s VAL 69 Cb -0.12 -2.31 0.06 0.00 0.00 0.00 0.00 36.38 34.01 2jmk s VAL 69 CO 0.01 0.48 0.04 -0.69 0.00 0.00 0.00 175.10 174.94 2jmk s VAL 70 N 1.07 0.49 -0.42 2.92 1.01 0.88 -0.07 120.40 126.27 2jmk s VAL 70 Ca -0.00 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.47 2jmk s VAL 70 Cb -0.15 -1.01 0.12 0.00 0.00 0.00 0.00 36.38 35.34 2jmk s VAL 70 CO -0.02 -0.22 0.16 0.20 0.00 0.00 0.00 175.10 175.22 2jmk s ASN 71 N 1.87 4.40 0.49 3.32 0.01 -0.46 -0.10 114.94 124.47 2jmk s ASN 71 Ca -0.01 -2.51 0.27 0.00 -0.71 0.00 0.00 52.86 49.90 2jmk s ASN 71 Cb -0.17 -1.50 1.23 0.00 0.41 0.00 0.00 41.25 41.22 2jmk s ASN 71 CO -0.08 -0.31 1.96 0.00 -1.51 0.00 0.00 177.10 177.16 2jmk h ALA 72 N 7.11 1.13 -0.31 0.60 0.00 -0.83 0.28 119.26 127.24 2jmk h ALA 72 Ca -0.06 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2jmk h ALA 72 Cb 0.96 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2jmk h ALA 72 CO 0.58 0.20 -0.11 0.38 0.00 0.00 0.00 179.25 180.29 2jmk h ASP 73 N 0.00 0.63 -0.03 0.00 2.03 -1.73 -3.11 116.42 114.22 2jmk h ASP 73 Ca -0.00 -0.39 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 2jmk h ASP 73 Cb 0.53 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 2jmk h ASP 73 CO 0.02 0.88 -0.01 0.29 -1.03 0.00 0.00 179.24 179.39 2jmk n LYS 74 N -4.42 2.19 -3.55 4.15 5.02 -1.11 -4.86 118.16 115.58 2jmk n LYS 74 Ca -0.03 -1.74 -0.19 0.00 -2.02 0.00 0.00 58.31 54.32 2jmk n LYS 74 Cb 0.35 -1.46 0.06 0.00 -0.02 0.00 0.00 35.03 33.96 2jmk n LYS 74 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2jmk n LYS 75 N 1.12 -5.09 -4.18 1.97 5.02 0.86 -5.00 118.16 112.86 2jmk n LYS 75 Ca 0.15 0.73 -0.26 0.00 -2.02 0.00 0.00 58.31 56.90 2jmk n LYS 75 Cb 0.56 -5.46 -0.17 0.00 -0.02 0.00 0.00 35.03 29.94 2jmk n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jmk s LEU 76 N -6.40 1.41 -0.11 -0.35 1.43 -0.39 -4.45 118.68 109.82 2jmk s LEU 76 Ca 0.08 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 2jmk s LEU 76 Cb -0.02 -0.88 -0.01 0.00 0.03 0.00 0.00 46.19 45.32 2jmk s LEU 76 CO 0.77 -0.05 -0.18 -0.04 0.23 0.00 0.00 176.35 177.08 2jmk s MET 77 N 1.29 3.16 0.04 1.70 -1.94 0.84 -1.36 119.30 123.04 2jmk s MET 77 Ca -0.02 -0.78 -0.02 0.00 -1.71 0.00 0.00 55.69 53.16 2jmk s MET 77 Cb -0.14 -2.46 -0.02 0.00 2.01 0.00 0.00 34.83 34.22 2jmk s MET 77 CO -0.04 0.23 0.02 0.45 -0.01 0.00 0.00 175.02 175.67 2jmk s SER 78 N 0.26 0.28 -0.09 3.03 0.15 0.90 -0.10 113.70 118.14 2jmk s SER 78 Ca -0.13 -0.65 -0.07 0.00 0.70 0.00 0.00 55.95 55.80 2jmk s SER 78 Cb -0.16 0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.35 2jmk s SER 78 CO 0.07 -0.46 0.23 -0.69 1.20 0.00 0.00 173.24 173.58 2jmk s VAL 79 N -2.59 -0.01 -0.33 4.45 1.01 0.85 -0.97 120.40 122.81 2jmk s VAL 79 Ca -0.05 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 2jmk s VAL 79 Cb -0.02 -0.33 0.11 0.00 0.00 0.00 0.00 36.38 36.14 2jmk s VAL 79 CO -0.05 0.02 0.14 -0.44 0.00 0.00 0.00 175.10 174.77 2jmk s SER 80 N 0.48 3.71 -0.14 3.32 0.01 0.75 -0.86 113.70 120.96 2jmk s SER 80 Ca -0.03 -1.80 -0.05 0.00 1.31 0.00 0.00 55.95 55.38 2jmk s SER 80 Cb -0.04 -0.71 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 2jmk s SER 80 CO -0.02 -0.38 0.05 -0.36 0.41 0.00 0.00 173.24 172.94 2jmk s PHE 81 N 1.44 3.28 -0.02 2.43 0.40 -1.26 -0.08 117.98 124.16 2jmk s PHE 81 Ca 0.12 0.18 0.02 0.00 -0.60 0.00 0.00 56.93 56.65 2jmk s PHE 81 Cb -0.19 -1.95 0.01 0.00 0.51 0.00 0.00 43.02 41.40 2jmk s PHE 81 CO -0.20 0.36 -0.05 0.45 0.70 0.00 0.00 175.22 176.48 2jmk s SER 82 N -0.31 0.81 -0.81 1.36 0.15 0.72 -4.89 113.70 110.74 2jmk s SER 82 Ca 0.08 -0.12 -0.03 0.00 0.70 0.00 0.00 55.95 56.59 2jmk s SER 82 Cb -0.12 -0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 63.91 2jmk s SER 82 CO 0.02 0.01 0.73 0.47 1.20 0.00 0.00 173.24 175.67 2jmk n ASP 83 N 3.46 -6.57 -4.30 5.45 8.00 -1.26 -4.53 116.55 116.80 2jmk n ASP 83 Ca -0.19 -0.37 -0.16 0.00 0.71 0.00 0.00 54.79 54.77 2jmk n ASP 83 Cb 0.54 -4.74 -0.10 0.00 -0.02 0.00 0.00 41.12 36.80 2jmk n ASP 83 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2jmk s ILE 84 N -3.19 0.51 0.63 0.53 -4.36 -1.26 -5.06 121.20 108.99 2jmk s ILE 84 Ca 0.23 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.51 2jmk s ILE 84 Cb -0.03 -2.60 -0.04 0.00 1.25 0.00 0.00 42.46 41.05 2jmk s ILE 84 CO 0.66 -0.03 1.03 -0.62 0.24 0.00 0.00 174.94 176.22 2jmk s ASP 85 N -3.29 6.15 0.07 4.36 2.15 -1.26 -5.00 116.67 119.85 2jmk s ASP 85 Ca 0.37 1.42 -0.16 0.00 0.43 0.00 0.00 52.55 54.62 2jmk s ASP 85 Cb 0.08 -2.45 -0.18 0.00 -0.30 0.00 0.00 42.92 40.06 2jmk s ASP 85 CO 0.13 -0.92 1.25 1.05 -0.17 0.00 0.00 175.17 176.50 2jmk h GLU 86 N -0.36 0.64 -0.55 4.34 4.11 -2.01 -2.94 114.58 117.81 2jmk h GLU 86 Ca -0.44 -0.54 0.00 0.00 0.07 0.00 0.00 59.36 58.45 2jmk h GLU 86 Cb 1.19 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 2jmk h GLU 86 CO 0.62 1.16 0.35 -0.91 0.07 0.00 0.00 179.01 180.30 2jmk h ASN 87 N 0.29 0.64 -0.15 3.06 4.21 -2.02 -2.10 115.58 119.51 2jmk h ASN 87 Ca -0.05 -0.03 -0.03 0.00 1.21 0.00 0.00 56.30 57.40 2jmk h ASN 87 Cb 1.31 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 38.33 2jmk h ASN 87 CO 0.14 0.48 0.02 -0.03 -1.29 0.00 0.00 177.43 176.75 2jmk h MET 88 N 0.74 0.35 0.00 0.81 4.05 -1.97 -1.61 114.93 117.31 2jmk h MET 88 Ca 0.20 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.56 2jmk h MET 88 Cb -0.06 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 30.67 2jmk h MET 88 CO -0.04 0.36 -0.02 -0.22 0.23 0.00 0.00 176.91 177.22 2jmk h LYS 89 N 0.34 0.00 0.27 0.39 3.64 -1.19 0.16 116.57 120.20 2jmk h LYS 89 Ca 0.08 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2jmk h LYS 89 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2jmk h LYS 89 CO 0.00 0.02 -0.13 0.87 -2.27 0.00 0.00 179.45 177.94 2jmk h LYS 90 N 0.00 -0.35 -0.48 1.90 1.57 -1.23 -0.01 116.57 117.96 2jmk h LYS 90 Ca -0.00 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 2jmk h LYS 90 Cb 0.04 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2jmk h LYS 90 CO 0.00 -0.01 -0.04 -0.24 -0.57 0.00 0.00 179.45 178.60 2jmk h VAL 91 N -0.87 1.25 -0.01 0.50 3.04 -1.53 -0.73 116.25 117.89 2jmk h VAL 91 Ca -0.04 -1.08 -0.00 0.00 -1.01 0.00 0.00 66.70 64.57 2jmk h VAL 91 Cb 0.51 0.92 -0.00 0.00 -2.01 0.00 0.00 31.29 30.71 2jmk h VAL 91 CO 0.06 0.38 -0.00 0.40 -1.01 0.00 0.00 177.57 177.40 2jmk h ILE 92 N 0.76 1.30 -0.77 3.17 2.04 -1.03 -1.12 117.51 121.85 2jmk h ILE 92 Ca 0.14 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 2jmk h ILE 92 Cb 0.51 1.87 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 2jmk h ILE 92 CO 0.03 0.23 0.37 0.50 0.00 0.00 0.00 178.15 179.27 2jmk h LYS 93 N -0.34 1.11 -0.03 2.37 3.64 -0.94 -0.73 116.57 121.65 2jmk h LYS 93 Ca 0.00 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2jmk h LYS 93 Cb 0.38 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2jmk h LYS 93 CO 0.00 0.86 0.01 0.00 -2.27 0.00 0.00 179.45 178.06 2jmk h ALA 94 N 1.19 0.04 -0.90 5.00 0.00 -1.11 0.15 119.26 123.63 2jmk h ALA 94 Ca 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2jmk h ALA 94 Cb 0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2jmk h ALA 94 CO -0.03 -0.37 0.51 1.15 0.00 0.00 0.00 179.25 180.51 2jmk h THR 95 N -0.11 1.26 0.00 0.00 2.02 -1.05 -0.07 112.91 114.95 2jmk h THR 95 Ca 0.01 -0.60 -0.12 0.00 0.77 0.00 0.00 66.41 66.46 2jmk h THR 95 Cb 0.17 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 2jmk h THR 95 CO -0.00 0.28 -0.59 0.00 0.37 0.00 0.00 175.52 175.58 2jmk h ALA 96 N 1.28 1.01 -0.01 6.16 0.00 -0.99 -3.10 119.26 123.60 2jmk h ALA 96 Ca 0.32 -0.54 -0.21 0.00 0.00 0.00 0.00 54.91 54.48 2jmk h ALA 96 Cb -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2jmk h ALA 96 CO -0.05 0.74 -0.88 1.49 0.00 0.00 0.00 179.25 180.54 2jmk h GLU 97 N 0.00 0.35 -0.24 0.00 4.81 -0.06 -3.13 114.58 116.31 2jmk h GLU 97 Ca -0.01 -0.36 0.07 0.00 -0.13 0.00 0.00 59.36 58.93 2jmk h GLU 97 Cb 1.06 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2jmk h GLU 97 CO 0.08 1.04 0.23 -0.22 -0.73 0.00 0.00 179.01 179.40 2jmk h LYS 98 N 0.20 0.00 -0.11 1.92 1.63 -0.95 0.03 116.57 119.30 2jmk h LYS 98 Ca -0.06 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.77 2jmk h LYS 98 Cb 1.51 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.13 2jmk h LYS 98 CO 0.15 0.00 0.20 0.74 -3.45 0.00 0.00 179.45 177.09 2jmk h PHE 99 N 0.00 0.00 -1.02 1.91 -1.00 -1.62 -1.48 116.94 113.73 2jmk h PHE 99 Ca 0.11 0.00 0.29 0.00 2.81 0.00 0.00 57.97 61.18 2jmk h PHE 99 Cb 0.57 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.08 2jmk h PHE 99 CO 0.00 0.00 0.73 1.57 -1.61 0.00 0.00 178.31 179.00 2jmk h LYS 100 N 0.00 0.05 -0.80 1.51 2.10 -1.06 0.37 116.57 118.74 2jmk h LYS 100 Ca 0.05 -0.00 0.23 0.00 -2.00 0.00 0.00 60.65 58.93 2jmk h LYS 100 Cb 0.46 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.74 2jmk h LYS 100 CO -0.00 0.03 0.58 -0.91 -2.00 0.00 0.00 179.45 177.15 2jmk h ASN 101 N 0.05 0.00 0.00 7.07 2.35 -1.50 -2.37 115.58 121.19 2jmk h ASN 101 Ca 0.50 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.23 2jmk h ASN 101 Cb 1.89 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.26 2jmk h ASN 101 CO -0.04 0.00 -1.15 0.29 -1.65 0.00 0.00 177.43 174.89 2jmk n LYS 102 N -4.29 0.89 -3.34 0.81 5.02 0.91 -4.91 118.16 113.25 2jmk n LYS 102 Ca 0.16 -0.02 -0.22 0.00 -2.02 0.00 0.00 58.31 56.21 2jmk n LYS 102 Cb 0.87 -1.07 -0.09 0.00 -0.02 0.00 0.00 35.03 34.72 2jmk n LYS 102 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2jmk s GLY 103 N -2.57 0.52 0.55 0.72 0.00 0.93 -4.97 107.32 102.50 2jmk s GLY 103 Ca -0.01 -1.68 0.31 0.00 0.00 0.00 0.00 44.72 43.33 2jmk s GLY 103 CO 0.12 2.44 1.88 0.74 0.00 0.00 0.00 173.10 178.28 2jmk h PHE 104 N 6.36 0.00 -0.45 1.90 -1.00 -1.72 -3.30 116.94 118.73 2jmk h PHE 104 Ca 0.13 0.00 -0.48 0.00 2.81 0.00 0.00 57.97 60.43 2jmk h PHE 104 Cb 0.99 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.51 2jmk h PHE 104 CO 0.31 0.00 1.64 1.17 -1.61 0.00 0.00 178.31 179.82 2jmk n LYS 105 N -4.12 2.00 -4.83 1.51 4.81 -1.26 -4.88 118.16 111.38 2jmk n LYS 105 Ca 0.16 -2.55 -0.31 0.00 -0.87 0.00 0.00 58.31 54.74 2jmk n LYS 105 Cb 0.89 -3.52 -0.13 0.00 0.02 0.00 0.00 35.03 32.29 2jmk n LYS 105 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2jmk s VAL 106 N 8.15 2.65 -0.18 3.15 1.01 -1.24 -0.11 120.40 133.83 2jmk s VAL 106 Ca 0.62 -1.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 2jmk s VAL 106 Cb 0.04 -2.06 0.06 0.00 0.00 0.00 0.00 36.38 34.41 2jmk s VAL 106 CO 0.11 0.43 0.08 -1.61 0.00 0.00 0.00 175.10 174.10 2jmk s GLU 107 N -1.16 0.20 -0.25 2.72 0.41 0.86 -4.97 118.70 116.50 2jmk s GLU 107 Ca 0.13 -0.16 -0.08 0.00 -0.41 0.00 0.00 54.97 54.46 2jmk s GLU 107 Cb -0.10 -1.89 -0.03 0.00 -1.78 0.00 0.00 34.13 30.32 2jmk s GLU 107 CO 0.03 -0.66 0.08 0.95 -0.49 0.00 0.00 175.26 175.17 2jmk s THR 108 N 2.07 4.36 0.17 3.63 -4.23 -1.26 -0.10 115.64 120.28 2jmk s THR 108 Ca 0.01 -0.18 -0.31 0.00 -1.18 0.00 0.00 61.69 60.04 2jmk s THR 108 Cb -0.16 -3.05 -0.09 0.00 1.34 0.00 0.00 72.50 70.53 2jmk s THR 108 CO -0.09 0.32 1.48 -0.62 -0.54 0.00 0.00 174.62 175.17 2jmk s ASP 109 N 1.62 6.68 0.00 3.99 2.15 -0.03 -4.97 116.67 126.11 2jmk s ASP 109 Ca 0.06 2.54 0.12 0.00 0.43 0.00 0.00 52.55 55.70 2jmk s ASP 109 Cb -0.15 -2.60 0.73 0.00 -0.30 0.00 0.00 42.92 40.60 2jmk s ASP 109 CO 0.04 -0.73 1.16 0.80 -0.17 0.00 0.00 175.17 176.27