#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 4.87 -0.48 1.12 2.01 -1.25 -4.92 115.64 116.99 2jmk s THR 2 Ca 0.00 -0.20 -0.27 0.00 0.31 0.00 0.00 61.69 61.53 2jmk s THR 2 Cb 0.00 -4.23 0.03 0.00 0.01 0.00 0.00 72.50 68.31 2jmk s THR 2 CO 0.00 -0.68 1.04 -0.76 -0.69 0.00 0.00 174.62 173.53 2jmk s LEU 3 N 2.69 3.80 0.10 4.42 1.43 -1.26 -0.09 118.68 129.78 2jmk s LEU 3 Ca 0.18 0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.50 2jmk s LEU 3 Cb -0.17 -3.33 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 2jmk s LEU 3 CO 0.15 -1.18 0.07 0.00 0.23 0.00 0.00 176.35 175.62 2jmk s ALA 5 N -3.98 2.71 -0.14 0.00 0.00 0.66 -0.08 121.76 120.93 2jmk s ALA 5 Ca 0.16 -1.78 -0.07 0.00 0.00 0.00 0.00 51.96 50.27 2jmk s ALA 5 Cb 0.07 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 2jmk s ALA 5 CO -0.04 0.33 0.10 -1.64 0.00 0.00 0.00 175.76 174.52 2jmk s MET 6 N -3.23 3.59 -0.26 0.00 -1.94 -0.15 -1.37 119.30 115.93 2jmk s MET 6 Ca 0.27 -0.23 0.01 0.00 -1.71 0.00 0.00 55.69 54.02 2jmk s MET 6 Cb -0.06 -3.17 0.07 0.00 2.01 0.00 0.00 34.83 33.69 2jmk s MET 6 CO 0.14 0.59 0.00 -0.47 -0.01 0.00 0.00 175.02 175.27 2jmk s TYR 7 N -0.50 2.36 -0.88 -0.03 6.14 0.41 -1.13 117.35 123.71 2jmk s TYR 7 Ca 0.11 -1.88 -0.18 0.00 0.64 0.00 0.00 57.07 55.76 2jmk s TYR 7 Cb -0.12 -1.78 0.14 0.00 0.42 0.00 0.00 41.96 40.62 2jmk s TYR 7 CO 0.02 -0.81 1.04 1.21 0.64 0.00 0.00 175.55 177.65 2jmk s ASN 8 N 1.40 6.60 -0.17 4.32 2.47 -0.02 -0.21 114.94 129.33 2jmk s ASN 8 Ca 0.01 -2.06 -0.12 0.00 0.42 0.00 0.00 52.86 51.11 2jmk s ASN 8 Cb -0.18 -2.37 -0.05 0.00 -1.45 0.00 0.00 41.25 37.20 2jmk s ASN 8 CO -0.11 -1.01 0.23 -0.51 -3.72 0.00 0.00 177.10 171.98 2jmk s ILE 9 N 2.38 5.35 -0.19 -5.21 2.07 0.04 -0.07 121.20 125.57 2jmk s ILE 9 Ca 0.29 0.41 -0.03 0.00 -1.41 0.00 0.00 60.65 59.92 2jmk s ILE 9 Cb -0.07 -3.57 0.06 0.00 0.13 0.00 0.00 42.46 39.01 2jmk s ILE 9 CO -0.08 0.41 0.03 -0.44 -1.91 0.00 0.00 174.94 172.95 2jmk s SER 10 N 0.39 2.84 0.68 4.50 0.01 0.70 -0.11 113.70 122.72 2jmk s SER 10 Ca 0.13 -0.78 -0.15 0.00 1.31 0.00 0.00 55.95 56.47 2jmk s SER 10 Cb -0.12 -0.62 0.01 0.00 0.21 0.00 0.00 66.02 65.50 2jmk s SER 10 CO 0.02 -0.29 1.14 -0.32 0.41 0.00 0.00 173.24 174.20 2jmk s MET 11 N 1.84 2.58 -0.47 12.44 1.75 -1.26 -0.18 119.30 135.99 2jmk s MET 11 Ca -0.01 1.51 -0.32 0.00 -1.25 0.00 0.00 55.69 55.62 2jmk s MET 11 Cb -0.17 -1.91 -0.12 0.00 2.84 0.00 0.00 34.83 35.48 2jmk s MET 11 CO -0.08 -1.44 2.32 0.00 -0.65 0.00 0.00 175.02 175.17 2jmk n ALA 12 N -2.52 0.94 -2.13 4.11 0.00 -1.26 -1.10 120.51 118.55 2jmk n ALA 12 Ca 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2jmk n ALA 12 Cb 0.51 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.28 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 6.37 0.69 3.39 0.00 0.00 -1.26 -4.90 105.19 109.47 2jmk n GLY 13 Ca 0.43 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.93 -0.50 0.84 1.61 0.01 -0.26 -5.13 113.70 107.35 2jmk s SER 14 Ca 0.00 0.92 -0.14 0.00 1.31 0.00 0.00 55.95 58.04 2jmk s SER 14 Cb 0.00 0.94 -0.00 0.00 0.21 0.00 0.00 66.02 67.17 2jmk s SER 14 CO 0.00 -0.21 0.44 0.00 0.41 0.00 0.00 173.24 173.88 2jmk n HIS 15 N 2.63 -1.22 -2.25 2.43 -0.00 -1.26 -4.21 115.22 111.34 2jmk n HIS 15 Ca -0.14 0.28 -0.40 0.00 -0.00 0.00 0.00 57.72 57.46 2jmk n HIS 15 Cb 0.57 -1.84 -0.03 0.00 -0.00 0.00 0.00 29.99 28.69 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 -3.19 4.43 -0.19 -1.40 0.04 -1.26 -4.54 135.00 128.88 2jmk s PRO 16 Ca 0.61 2.04 -0.00 0.00 0.04 0.00 0.00 61.00 63.69 2jmk s PRO 16 Cb -0.27 -3.08 0.02 0.00 0.04 0.00 0.00 34.50 31.20 2jmk s PRO 16 CO 0.63 -0.06 -0.16 0.99 0.04 0.00 0.00 177.00 178.44 2jmk s THR 17 N -1.17 2.37 -0.52 1.26 2.01 0.85 -4.96 115.64 115.49 2jmk s THR 17 Ca 0.48 -0.88 -0.23 0.00 0.31 0.00 0.00 61.69 61.38 2jmk s THR 17 Cb -0.36 -2.04 0.04 0.00 0.01 0.00 0.00 72.50 70.15 2jmk s THR 17 CO 0.48 0.48 0.84 -0.89 -0.69 0.00 0.00 174.62 174.83 2jmk s THR 18 N 1.32 4.55 -0.24 -0.82 2.01 -1.26 -0.78 115.64 120.42 2jmk s THR 18 Ca 0.04 0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.15 2jmk s THR 18 Cb -0.14 -4.44 -0.02 0.00 0.01 0.00 0.00 72.50 67.92 2jmk s THR 18 CO -0.10 -0.95 0.04 -0.63 -0.69 0.00 0.00 174.62 172.29 2jmk s ILE 19 N 3.52 4.07 -0.29 1.82 1.01 0.71 -4.92 121.20 127.11 2jmk s ILE 19 Ca 0.27 -0.26 -0.19 0.00 0.00 0.00 0.00 60.65 60.47 2jmk s ILE 19 Cb -0.14 -2.90 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 2jmk s ILE 19 CO 0.19 0.35 0.56 0.00 0.00 0.00 0.00 174.94 176.04 2jmk s VAL 21 N 2.45 1.33 0.46 0.00 1.01 -0.47 -4.24 120.40 120.94 2jmk s VAL 21 Ca 0.22 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.43 2jmk s VAL 21 Cb -0.15 -1.24 -0.10 0.00 0.00 0.00 0.00 36.38 34.89 2jmk s VAL 21 CO 0.11 0.41 0.91 1.33 0.00 0.00 0.00 175.10 177.86 2jmk n VAL 22 N 4.24 2.53 0.31 2.92 0.24 -1.26 -0.25 118.33 127.05 2jmk n VAL 22 Ca -0.19 -0.50 0.19 0.00 -2.04 0.00 0.00 64.34 61.80 2jmk n VAL 22 Cb 0.51 -1.04 1.03 0.00 -1.47 0.00 0.00 33.84 32.87 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 1.20 0.00 0.00 7.34 -0.00 -1.52 0.18 114.93 122.13 2jmk h MET 23 Ca -0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.24 2jmk h MET 23 Cb 1.35 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.95 2jmk h MET 23 CO 0.55 0.00 -0.06 0.22 -0.00 0.00 0.00 176.91 177.62 2jmk h ASP 24 N 0.00 0.00 0.00 -0.10 3.58 -1.88 -3.12 116.42 114.91 2jmk h ASP 24 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2jmk h ASP 24 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2jmk h ASP 24 CO -0.00 0.06 -0.03 0.54 -2.88 0.00 0.00 179.24 176.93 2jmk n ARG 25 N -3.14 1.36 0.29 0.28 3.00 0.52 -4.78 116.66 114.19 2jmk n ARG 25 Ca 0.02 -2.39 -0.16 0.00 -0.01 0.00 0.00 57.85 55.31 2jmk n ARG 25 Cb 0.43 -1.40 -0.08 0.00 0.00 0.00 0.00 32.46 31.41 2jmk n ARG 25 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 2jmk h PHE 26 N 0.00 -0.67 -0.13 -1.55 3.04 -1.16 0.20 116.94 116.67 2jmk h PHE 26 Ca 0.00 -0.02 0.04 0.00 3.98 0.00 0.00 57.97 61.97 2jmk h PHE 26 Cb 0.97 0.22 -0.04 0.00 2.56 0.00 0.00 35.95 39.67 2jmk h PHE 26 CO 0.01 -0.35 -0.11 1.25 -2.02 0.00 0.00 178.31 177.09 2jmk h LEU 27 N -0.89 -0.33 -0.68 0.59 5.85 -1.86 -1.49 115.31 116.50 2jmk h LEU 27 Ca -0.07 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.77 2jmk h LEU 27 Cb 0.61 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.76 2jmk h LEU 27 CO 0.12 -0.14 0.39 -0.33 -0.34 0.00 0.00 178.44 178.14 2jmk h GLU 28 N -0.12 0.71 -0.12 1.25 4.39 -1.88 -1.06 114.58 117.74 2jmk h GLU 28 Ca 0.08 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.77 2jmk h GLU 28 Cb 0.24 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 2jmk h GLU 28 CO -0.20 0.47 -0.07 1.03 -1.16 0.00 0.00 179.01 179.08 2jmk h SER 29 N 0.73 -0.23 -0.69 1.42 0.87 -0.35 -1.34 113.55 113.95 2jmk h SER 29 Ca 0.30 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 2jmk h SER 29 Cb 0.15 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 2jmk h SER 29 CO -0.16 -0.10 0.44 0.15 -0.53 0.00 0.00 176.83 176.63 2jmk h PHE 30 N -0.07 0.89 -0.30 2.24 3.57 -0.88 0.19 116.94 122.58 2jmk h PHE 30 Ca 0.07 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.63 2jmk h PHE 30 Cb 0.17 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 2jmk h PHE 30 CO -0.20 0.57 0.05 1.03 -2.23 0.00 0.00 178.31 177.54 2jmk h SER 31 N 0.94 -0.00 0.63 0.41 0.87 -0.70 -1.45 113.55 114.25 2jmk h SER 31 Ca 0.25 0.05 -0.13 0.00 -1.23 0.00 0.00 61.79 60.73 2jmk h SER 31 Cb -0.08 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 2jmk h SER 31 CO -0.05 0.03 -0.61 -0.33 -0.53 0.00 0.00 176.83 175.34 2jmk h GLU 32 N 0.16 0.00 -0.00 2.24 4.39 -0.97 -3.23 114.58 117.17 2jmk h GLU 32 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 2jmk h GLU 32 Cb 0.16 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2jmk h GLU 32 CO -0.19 0.61 0.00 1.25 -1.16 0.00 0.00 179.01 179.52 2jmk h LEU 33 N 0.00 0.00 -2.27 1.33 7.12 0.20 -0.68 115.31 121.01 2jmk h LEU 33 Ca -0.01 -0.02 0.02 0.00 0.13 0.00 0.00 57.88 58.00 2jmk h LEU 33 Cb 1.10 -0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.22 2jmk h LEU 33 CO 0.08 0.02 0.24 0.22 -0.13 0.00 0.00 178.44 178.88 2jmk h TYR 34 N -0.02 0.00 0.00 1.25 3.20 -1.31 0.27 116.97 120.36 2jmk h TYR 34 Ca 0.00 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.72 2jmk h TYR 34 Cb 0.02 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 2jmk h TYR 34 CO -0.07 0.00 -0.85 -0.44 -1.64 0.00 0.00 178.16 175.16 2jmk h ASP 35 N 0.00 0.00 0.51 -2.11 3.32 -1.38 -3.35 116.42 113.41 2jmk h ASP 35 Ca 0.03 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 56.47 2jmk h ASP 35 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2jmk h ASP 35 CO -0.00 1.30 0.00 0.00 -1.72 0.00 0.00 179.24 178.82 2jmk n ILE 36 N -4.50 0.83 1.80 0.35 3.06 -0.36 -2.41 119.36 118.13 2jmk n ILE 36 Ca -0.24 0.21 0.02 0.00 -2.50 0.00 0.00 62.75 60.24 2jmk n ILE 36 Cb 0.59 -0.93 0.11 0.00 0.54 0.00 0.00 39.64 39.95 2jmk n ILE 36 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2jmk n ILE 37 N -1.46 0.08 -3.80 9.51 0.13 0.86 -4.04 119.36 120.64 2jmk n ILE 37 Ca 0.05 -0.08 -0.31 0.00 -1.10 0.00 0.00 62.75 61.30 2jmk n ILE 37 Cb 0.18 0.01 -0.10 0.00 -0.84 0.00 0.00 39.64 38.89 2jmk n ILE 37 CO 0.00 0.00 0.00 -1.81 2.80 0.00 0.00 176.55 177.54 2jmk s ASP 38 N -1.09 5.22 -0.21 9.51 1.11 -1.01 -4.86 116.67 125.34 2jmk s ASP 38 Ca 0.08 -3.69 -0.07 0.00 0.18 0.00 0.00 52.55 49.05 2jmk s ASP 38 Cb 0.04 -1.75 0.01 0.00 1.07 0.00 0.00 42.92 42.29 2jmk s ASP 38 CO 0.06 -0.15 0.27 1.21 1.18 0.00 0.00 175.17 177.75 2jmk n GLU 39 N 2.26 -1.29 -3.56 8.23 4.07 -1.26 -5.04 120.64 124.06 2jmk n GLU 39 Ca 0.19 1.38 -0.27 0.00 -0.06 0.00 0.00 57.16 58.39 2jmk n GLU 39 Cb 0.36 -3.61 -0.11 0.00 -0.06 0.00 0.00 31.44 28.02 2jmk n GLU 39 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2jmk n ASN 40 N -0.31 0.71 -4.30 4.31 2.85 -1.26 -5.06 115.26 112.21 2jmk n ASN 40 Ca 0.05 -2.66 -0.36 0.00 -0.11 0.00 0.00 54.58 51.50 2jmk n ASN 40 Cb 0.21 -0.62 0.05 0.00 1.24 0.00 0.00 39.78 40.66 2jmk n ASN 40 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2jmk n ASP 41 N 2.51 -3.01 0.13 1.20 8.00 -1.26 -4.37 116.55 119.74 2jmk n ASP 41 Ca 0.27 0.48 0.19 0.00 0.71 0.00 0.00 54.79 56.44 2jmk n ASP 41 Cb 0.44 -1.02 0.77 0.00 -0.02 0.00 0.00 41.12 41.28 2jmk n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jmk h THR 42 N -0.58 0.42 -0.55 -3.53 1.03 -2.00 -0.82 112.91 106.88 2jmk h THR 42 Ca -0.44 0.00 0.09 0.00 -0.01 0.00 0.00 66.41 66.05 2jmk h THR 42 Cb 1.35 0.71 -0.07 0.00 -1.07 0.00 0.00 68.15 69.08 2jmk h THR 42 CO 0.37 0.00 0.18 0.44 -0.01 0.00 0.00 175.52 176.49 2jmk h ASP 43 N 0.00 0.14 0.65 0.00 3.32 -2.03 -2.43 116.42 116.07 2jmk h ASP 43 Ca 0.16 0.08 -0.16 0.00 0.02 0.00 0.00 57.03 57.13 2jmk h ASP 43 Cb 0.88 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 2jmk h ASP 43 CO -0.00 0.10 -1.47 0.52 -1.72 0.00 0.00 179.24 176.67 2jmk n VAL 44 N -5.04 1.10 -0.08 -1.35 0.31 -0.50 -4.25 118.33 108.52 2jmk n VAL 44 Ca 0.07 -0.68 -0.06 0.00 -0.01 0.00 0.00 64.34 63.66 2jmk n VAL 44 Cb 0.25 -0.66 -0.00 0.00 -0.91 0.00 0.00 33.84 32.52 2jmk n VAL 44 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 2jmk h MET 45 N 0.00 -0.06 -0.70 5.55 -1.53 -0.75 -1.47 114.93 115.97 2jmk h MET 45 Ca -0.16 0.00 0.14 0.00 -3.44 0.00 0.00 59.70 56.24 2jmk h MET 45 Cb 1.55 0.01 -0.10 0.00 -0.55 0.00 0.00 31.60 32.51 2jmk h MET 45 CO 0.04 -0.04 0.21 1.98 0.14 0.00 0.00 176.91 179.25 2jmk h MET 46 N -0.06 0.33 -0.68 0.39 -1.53 -1.63 0.87 114.93 112.63 2jmk h MET 46 Ca 0.16 -0.02 0.04 0.00 -3.44 0.00 0.00 59.70 56.43 2jmk h MET 46 Cb 0.30 -0.07 -0.05 0.00 -0.55 0.00 0.00 31.60 31.23 2jmk h MET 46 CO -0.36 0.22 0.41 0.22 0.14 0.00 0.00 176.91 177.54 2jmk h ASP 47 N 0.34 0.67 -0.11 1.39 3.58 -1.49 -1.10 116.42 119.70 2jmk h ASP 47 Ca 0.38 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.82 2jmk h ASP 47 Cb 0.60 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.51 2jmk h ASP 47 CO -0.43 0.46 0.01 0.15 -2.88 0.00 0.00 179.24 176.54 2jmk h PHE 48 N 0.80 0.20 -0.51 0.28 3.57 -0.44 0.27 116.94 121.12 2jmk h PHE 48 Ca 0.28 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.82 2jmk h PHE 48 Cb 0.05 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 2jmk h PHE 48 CO -0.05 0.41 0.17 0.82 -2.23 0.00 0.00 178.31 177.42 2jmk h ILE 49 N -0.07 0.80 0.00 1.41 2.04 -0.61 0.67 117.51 121.75 2jmk h ILE 49 Ca 0.03 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.70 2jmk h ILE 49 Cb 0.32 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2jmk h ILE 49 CO 0.00 0.06 -0.35 0.28 0.00 0.00 0.00 178.15 178.14 2jmk h SER 50 N 0.33 0.00 -0.08 1.72 0.02 -1.15 0.29 113.55 114.69 2jmk h SER 50 Ca 0.25 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 2jmk h SER 50 Cb 0.29 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 2jmk h SER 50 CO -0.27 0.35 -0.09 -0.09 -1.14 0.00 0.00 176.83 175.60 2jmk h ARG 51 N 0.00 0.19 0.00 3.45 2.43 0.92 -3.38 114.38 117.99 2jmk h ARG 51 Ca -0.00 -0.11 -0.17 0.00 -0.81 0.00 0.00 59.98 58.89 2jmk h ARG 51 Cb 1.09 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 2jmk h ARG 51 CO 0.05 0.64 -1.02 0.74 -1.51 0.00 0.00 179.97 178.87 2jmk h PHE 52 N -0.25 0.00 -3.43 2.20 0.04 -0.98 -3.46 116.94 111.06 2jmk h PHE 52 Ca 0.01 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.24 2jmk h PHE 52 Cb 0.62 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.73 2jmk h PHE 52 CO 0.10 1.11 0.19 0.00 -0.60 0.00 0.00 178.31 179.11 2jmk s ALA 53 N -2.44 3.33 -0.68 2.45 0.00 0.10 -4.86 121.76 119.66 2jmk s ALA 53 Ca -0.25 0.32 0.25 0.00 0.00 0.00 0.00 51.96 52.28 2jmk s ALA 53 Cb 0.05 -3.05 0.88 0.00 0.00 0.00 0.00 23.12 21.00 2jmk s ALA 53 CO 0.50 0.00 1.76 0.54 0.00 0.00 0.00 175.76 178.56 2jmk n ARG 54 N 3.05 0.22 -4.02 0.00 5.12 -1.26 -3.98 116.66 115.79 2jmk n ARG 54 Ca -0.01 0.27 -0.31 0.00 -1.93 0.00 0.00 57.85 55.87 2jmk n ARG 54 Cb 0.50 -1.80 -0.00 0.00 -1.16 0.00 0.00 32.46 30.00 2jmk n ARG 54 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2jmk n THR 55 N -2.20 -2.06 -2.64 0.55 -2.24 -1.26 -4.96 114.28 99.47 2jmk n THR 55 Ca 0.05 -0.14 -0.16 0.00 -2.27 0.00 0.00 64.05 61.52 2jmk n THR 55 Cb 0.36 -2.46 0.08 0.00 -2.10 0.00 0.00 70.33 66.20 2jmk n THR 55 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2jmk n ASP 56 N -2.82 1.13 -4.75 3.42 5.75 -1.26 -5.07 116.55 112.95 2jmk n ASP 56 Ca -0.04 -1.91 -0.34 0.00 -0.01 0.00 0.00 54.79 52.49 2jmk n ASP 56 Cb 0.56 -0.44 0.06 0.00 -1.03 0.00 0.00 41.12 40.26 2jmk n ASP 56 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2jmk s GLU 57 N -4.29 2.65 -0.19 0.11 2.02 -1.26 -5.02 118.70 112.73 2jmk s GLU 57 Ca 0.48 1.54 -0.08 0.00 0.02 0.00 0.00 54.97 56.93 2jmk s GLU 57 Cb -0.03 -1.92 -0.04 0.00 0.10 0.00 0.00 34.13 32.24 2jmk s GLU 57 CO 0.32 -1.39 0.08 0.42 0.02 0.00 0.00 175.26 174.70 2jmk s ILE 58 N -2.15 4.91 0.08 -1.63 1.09 -1.26 -5.10 121.20 117.15 2jmk s ILE 58 Ca 0.70 0.01 0.00 0.00 -1.10 0.00 0.00 60.65 60.26 2jmk s ILE 58 Cb -0.24 -3.22 -0.04 0.00 -1.06 0.00 0.00 42.46 37.90 2jmk s ILE 58 CO 0.41 0.45 -0.04 -0.04 -0.10 0.00 0.00 174.94 175.62 2jmk s MET 59 N 0.39 0.76 0.35 2.79 -1.94 -1.26 -5.04 119.30 115.35 2jmk s MET 59 Ca 0.04 -1.30 0.27 0.00 -1.71 0.00 0.00 55.69 52.98 2jmk s MET 59 Cb -0.12 -0.00 1.11 0.00 2.01 0.00 0.00 34.83 37.83 2jmk s MET 59 CO -0.00 -0.08 1.79 -1.00 -0.01 0.00 0.00 175.02 175.72 2jmk h PRO 60 N 3.02 0.00 -0.55 2.03 0.13 -2.04 -3.15 132.00 131.45 2jmk h PRO 60 Ca -0.35 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.84 2jmk h PRO 60 Cb 1.16 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 2jmk h PRO 60 CO 0.65 0.00 0.26 0.93 -0.23 0.00 0.00 178.00 179.60 2jmk h GLU 61 N 0.00 0.47 -7.26 0.86 5.08 -1.98 -3.43 114.58 108.33 2jmk h GLU 61 Ca 0.00 -0.03 -0.44 0.00 -1.00 0.00 0.00 59.36 57.89 2jmk h GLU 61 Cb 0.40 -0.11 0.19 0.00 0.50 0.00 0.00 28.75 29.72 2jmk h GLU 61 CO 0.00 0.31 0.09 0.16 -1.00 0.00 0.00 179.01 178.58 2jmk s ASP 62 N -5.47 1.61 -0.01 1.42 1.47 -1.19 -3.74 116.67 110.75 2jmk s ASP 62 Ca -0.13 1.27 -0.04 0.00 1.18 0.00 0.00 52.55 54.82 2jmk s ASP 62 Cb 0.15 -1.97 -0.00 0.00 -0.34 0.00 0.00 42.92 40.75 2jmk s ASP 62 CO 0.74 -3.78 0.09 -0.75 0.68 0.00 0.00 175.17 172.15 2jmk s LYS 63 N -4.76 0.33 -0.12 2.11 2.20 0.87 -4.77 119.74 115.61 2jmk s LYS 63 Ca 0.67 -0.29 -0.26 0.00 -0.36 0.00 0.00 55.97 55.73 2jmk s LYS 63 Cb -0.21 0.14 -0.02 0.00 -1.51 0.00 0.00 37.83 36.23 2jmk s LYS 63 CO 0.61 -0.07 0.86 0.99 -0.36 0.00 0.00 175.35 177.38 2jmk s THR 64 N -0.97 4.88 -0.40 3.43 2.01 -1.25 -1.38 115.64 121.96 2jmk s THR 64 Ca -0.11 1.73 0.18 0.00 0.31 0.00 0.00 61.69 63.80 2jmk s THR 64 Cb -0.06 -4.18 -0.24 0.00 0.01 0.00 0.00 72.50 68.04 2jmk s THR 64 CO 0.01 0.07 0.56 0.52 -0.69 0.00 0.00 174.62 175.08 2jmk n VAL 65 N 4.48 0.00 0.00 3.82 0.31 0.88 -4.90 118.33 122.91 2jmk n VAL 65 Ca 0.05 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2jmk n VAL 65 Cb 0.49 0.52 0.00 0.00 -0.91 0.00 0.00 33.84 33.94 2jmk n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jmk n GLY 66 N 1.45 1.18 3.02 2.92 0.00 -1.26 -0.64 105.19 111.86 2jmk n GLY 66 Ca -0.00 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 45.13 2jmk n GLY 66 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jmk s PHE 67 N -2.00 0.98 -0.17 1.61 2.19 0.83 -0.98 117.98 120.44 2jmk s PHE 67 Ca 0.00 -0.23 -0.01 0.00 0.33 0.00 0.00 56.93 57.02 2jmk s PHE 67 Cb 0.00 -0.68 0.05 0.00 -1.31 0.00 0.00 43.02 41.08 2jmk s PHE 67 CO 0.00 -0.08 -0.02 0.08 1.83 0.00 0.00 175.22 177.03 2jmk s VAL 68 N 0.04 0.94 -0.33 3.12 1.01 -0.29 -1.01 120.40 123.88 2jmk s VAL 68 Ca -0.01 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 2jmk s VAL 68 Cb -0.07 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 2jmk s VAL 68 CO 0.00 0.02 0.39 -0.69 0.00 0.00 0.00 175.10 174.82 2jmk s VAL 69 N 1.69 5.14 -0.22 2.92 1.01 0.87 -0.84 120.40 130.98 2jmk s VAL 69 Ca -0.00 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.15 2jmk s VAL 69 Cb -0.16 -3.83 0.05 0.00 0.00 0.00 0.00 36.38 32.45 2jmk s VAL 69 CO -0.07 -0.08 -0.09 -0.69 0.00 0.00 0.00 175.10 174.17 2jmk s VAL 70 N 2.08 1.70 -0.25 2.92 1.01 0.90 -0.78 120.40 127.99 2jmk s VAL 70 Ca 0.13 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 60.92 2jmk s VAL 70 Cb -0.16 -1.85 0.07 0.00 0.00 0.00 0.00 36.38 34.43 2jmk s VAL 70 CO 0.12 0.04 -0.04 0.20 0.00 0.00 0.00 175.10 175.42 2jmk s ASN 71 N 1.34 3.95 0.27 3.32 -0.87 -0.45 -0.22 114.94 122.28 2jmk s ASN 71 Ca -0.04 -1.29 0.12 0.00 -1.57 0.00 0.00 52.86 50.07 2jmk s ASN 71 Cb -0.18 -1.20 0.31 0.00 -0.02 0.00 0.00 41.25 40.16 2jmk s ASN 71 CO -0.07 -0.26 1.57 0.00 -2.57 0.00 0.00 177.10 175.78 2jmk h ALA 72 N 7.93 0.87 0.19 0.60 0.00 -0.83 0.29 119.26 128.30 2jmk h ALA 72 Ca -0.16 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 2jmk h ALA 72 Cb 1.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2jmk h ALA 72 CO 0.43 0.79 -0.09 0.22 0.00 0.00 0.00 179.25 180.59 2jmk h ASP 73 N 0.00 -0.21 0.29 0.00 3.58 -1.75 -3.05 116.42 115.27 2jmk h ASP 73 Ca -0.01 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.30 2jmk h ASP 73 Cb 1.18 0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2jmk h ASP 73 CO 0.08 0.02 -0.31 0.29 -2.88 0.00 0.00 179.24 176.45 2jmk n LYS 74 N -5.11 0.67 -3.28 0.28 4.76 -1.23 -4.94 118.16 109.31 2jmk n LYS 74 Ca -0.09 -0.39 -0.15 0.00 -2.87 0.00 0.00 58.31 54.80 2jmk n LYS 74 Cb 0.19 -1.49 0.06 0.00 -1.84 0.00 0.00 35.03 31.95 2jmk n LYS 74 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2jmk n LYS 75 N -0.82 -2.07 -4.20 1.97 5.02 0.81 -5.02 118.16 113.84 2jmk n LYS 75 Ca 0.11 0.89 -0.25 0.00 -2.02 0.00 0.00 58.31 57.04 2jmk n LYS 75 Cb 0.35 -5.66 -0.17 0.00 -0.02 0.00 0.00 35.03 29.53 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 -5.37 1.35 -0.20 -0.35 1.43 -0.02 -4.31 118.68 111.21 2jmk s LEU 76 Ca 0.42 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 2jmk s LEU 76 Cb -0.06 -0.75 0.04 0.00 0.03 0.00 0.00 46.19 45.45 2jmk s LEU 76 CO 0.75 -0.05 -0.15 -0.32 0.23 0.00 0.00 176.35 176.81 2jmk s MET 77 N 1.19 2.49 -0.06 1.70 1.75 0.86 -1.34 119.30 125.88 2jmk s MET 77 Ca -0.05 -0.93 0.01 0.00 -1.25 0.00 0.00 55.69 53.46 2jmk s MET 77 Cb -0.14 -2.56 0.02 0.00 2.84 0.00 0.00 34.83 34.99 2jmk s MET 77 CO -0.02 -0.36 -0.08 -1.12 -0.65 0.00 0.00 175.02 172.80 2jmk s SER 78 N 1.29 1.47 -0.09 1.11 0.01 0.04 -0.29 113.70 117.23 2jmk s SER 78 Ca -0.00 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.05 2jmk s SER 78 Cb -0.16 -0.64 0.02 0.00 0.21 0.00 0.00 66.02 65.45 2jmk s SER 78 CO -0.10 -0.04 -0.09 0.68 0.41 0.00 0.00 173.24 174.11 2jmk s VAL 79 N 0.99 1.01 -0.30 3.43 -7.23 -0.37 -0.09 120.40 117.84 2jmk s VAL 79 Ca -0.09 -0.33 -0.02 0.00 -1.81 0.00 0.00 61.98 59.73 2jmk s VAL 79 Cb -0.15 -1.00 0.12 0.00 0.56 0.00 0.00 36.38 35.92 2jmk s VAL 79 CO 0.00 0.35 0.22 -0.55 -0.31 0.00 0.00 175.10 174.81 2jmk s SER 80 N 1.34 2.60 0.38 4.85 0.15 -0.18 -0.24 113.70 122.60 2jmk s SER 80 Ca -0.02 -1.21 0.05 0.00 0.70 0.00 0.00 55.95 55.47 2jmk s SER 80 Cb -0.14 0.04 -0.07 0.00 -1.71 0.00 0.00 66.02 64.14 2jmk s SER 80 CO -0.04 -0.39 0.03 0.72 1.20 0.00 0.00 173.24 174.76 2jmk s PHE 81 N 2.04 2.23 0.17 3.44 -0.71 -1.26 -0.12 117.98 123.77 2jmk s PHE 81 Ca 0.11 -0.83 -0.33 0.00 -1.04 0.00 0.00 56.93 54.84 2jmk s PHE 81 Cb -0.16 -1.55 -0.15 0.00 -1.21 0.00 0.00 43.02 39.95 2jmk s PHE 81 CO -0.29 0.23 1.30 0.45 -1.34 0.00 0.00 175.22 175.57 2jmk n SER 82 N -0.89 1.92 -4.53 1.98 2.88 0.19 -4.77 113.62 110.41 2jmk n SER 82 Ca -0.05 1.13 -0.44 0.00 -1.33 0.00 0.00 58.87 58.19 2jmk n SER 82 Cb 0.67 -1.28 -0.05 0.00 -0.75 0.00 0.00 64.21 62.79 2jmk n SER 82 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jmk n ASP 83 N 2.29 2.50 -3.51 -3.46 8.00 -1.26 -4.93 116.55 116.17 2jmk n ASP 83 Ca 0.15 0.10 -0.11 0.00 0.71 0.00 0.00 54.79 55.64 2jmk n ASP 83 Cb 0.26 -1.43 0.03 0.00 -0.02 0.00 0.00 41.12 39.95 2jmk n ASP 83 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2jmk n ILE 84 N 7.63 0.00 -1.62 0.53 -5.35 -1.26 -5.05 119.36 114.24 2jmk n ILE 84 Ca 0.37 -1.04 -0.44 0.00 -0.27 0.00 0.00 62.75 61.37 2jmk n ILE 84 Cb 0.38 -0.61 -0.01 0.00 -1.74 0.00 0.00 39.64 37.65 2jmk n ILE 84 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2jmk n ASP 85 N -2.45 1.68 -0.32 7.28 8.00 -1.26 -4.86 116.55 124.63 2jmk n ASP 85 Ca 0.06 1.18 -0.04 0.00 0.71 0.00 0.00 54.79 56.71 2jmk n ASP 85 Cb 0.32 -1.34 0.11 0.00 -0.02 0.00 0.00 41.12 40.19 2jmk n ASP 85 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2jmk h GLU 86 N 2.22 1.22 -0.94 -1.24 4.11 -2.00 -2.25 114.58 115.70 2jmk h GLU 86 Ca -0.41 -0.15 0.19 0.00 0.07 0.00 0.00 59.36 59.06 2jmk h GLU 86 Cb 1.33 -0.24 -0.08 0.00 0.50 0.00 0.00 28.75 30.26 2jmk h GLU 86 CO 0.62 0.90 0.60 -0.91 0.07 0.00 0.00 179.01 180.29 2jmk h ASN 87 N 1.22 0.59 1.04 3.06 -0.26 -2.03 0.24 115.58 119.45 2jmk h ASN 87 Ca 0.31 0.06 -0.14 0.00 -0.56 0.00 0.00 56.30 55.96 2jmk h ASN 87 Cb 0.04 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 2jmk h ASN 87 CO -0.05 0.24 -0.67 -0.03 -1.06 0.00 0.00 177.43 175.86 2jmk h MET 88 N 0.59 0.00 -0.72 0.81 4.05 -1.77 -3.22 114.93 114.67 2jmk h MET 88 Ca 0.50 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 60.01 2jmk h MET 88 Cb 0.99 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.75 2jmk h MET 88 CO -0.25 0.67 0.47 -0.22 0.23 0.00 0.00 176.91 177.82 2jmk h LYS 89 N 0.00 0.64 0.52 0.39 3.64 -0.21 -1.27 116.57 120.28 2jmk h LYS 89 Ca -0.01 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2jmk h LYS 89 Cb 1.38 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 33.06 2jmk h LYS 89 CO 0.09 0.43 -0.25 0.87 -2.27 0.00 0.00 179.45 178.31 2jmk h LYS 90 N 0.66 -0.68 0.23 1.90 1.57 -1.53 0.23 116.57 118.95 2jmk h LYS 90 Ca 0.32 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.14 2jmk h LYS 90 Cb 0.39 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 2jmk h LYS 90 CO -0.11 -0.45 -0.14 0.28 -0.57 0.00 0.00 179.45 178.46 2jmk h VAL 91 N -0.71 0.70 -0.58 0.50 2.07 -1.60 -0.71 116.25 115.93 2jmk h VAL 91 Ca -0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.51 2jmk h VAL 91 Cb 0.54 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.96 2jmk h VAL 91 CO 0.12 0.00 0.27 0.40 0.02 0.00 0.00 177.57 178.38 2jmk h ILE 92 N -0.36 0.90 -0.75 4.57 2.04 -1.22 -1.02 117.51 121.66 2jmk h ILE 92 Ca -0.02 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.67 2jmk h ILE 92 Cb 0.30 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 2jmk h ILE 92 CO 0.02 0.09 0.49 0.50 0.00 0.00 0.00 178.15 179.25 2jmk h LYS 93 N 0.51 1.00 0.01 2.37 1.63 -0.31 -1.26 116.57 120.51 2jmk h LYS 93 Ca 0.27 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 60.00 2jmk h LYS 93 Cb 0.23 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 2jmk h LYS 93 CO -0.21 0.67 -0.01 0.00 -3.45 0.00 0.00 179.45 176.45 2jmk h ALA 94 N 1.27 -0.01 0.14 5.00 0.00 -0.34 0.21 119.26 125.53 2jmk h ALA 94 Ca 0.27 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2jmk h ALA 94 Cb -0.10 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2jmk h ALA 94 CO -0.06 -0.47 -0.17 1.15 0.00 0.00 0.00 179.25 179.71 2jmk h THR 95 N -0.09 0.62 0.00 0.00 2.02 -0.99 0.11 112.91 114.58 2jmk h THR 95 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2jmk h THR 95 Cb 0.09 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2jmk h THR 95 CO 0.00 0.00 -0.18 0.00 0.37 0.00 0.00 175.52 175.72 2jmk h ALA 96 N 0.47 1.49 -0.16 6.16 0.00 -1.19 -2.49 119.26 123.54 2jmk h ALA 96 Ca 0.01 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 2jmk h ALA 96 Cb 0.34 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2jmk h ALA 96 CO -0.06 0.22 -0.65 1.49 0.00 0.00 0.00 179.25 180.24 2jmk h GLU 97 N 0.00 0.59 -0.71 0.00 4.81 0.20 -3.08 114.58 116.39 2jmk h GLU 97 Ca -0.00 -0.43 0.17 0.00 -0.13 0.00 0.00 59.36 58.97 2jmk h GLU 97 Cb 0.36 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 2jmk h GLU 97 CO 0.02 1.05 0.49 -0.22 -0.73 0.00 0.00 179.01 179.62 2jmk h LYS 98 N 0.43 0.24 -0.10 1.92 1.63 -0.52 0.20 116.57 120.37 2jmk h LYS 98 Ca -0.02 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.80 2jmk h LYS 98 Cb 1.23 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.80 2jmk h LYS 98 CO 0.12 0.16 0.16 0.74 -3.45 0.00 0.00 179.45 177.18 2jmk h PHE 99 N 0.25 0.00 -0.17 1.91 -1.00 -1.59 -0.57 116.94 115.76 2jmk h PHE 99 Ca 0.35 0.00 0.05 0.00 2.81 0.00 0.00 57.97 61.18 2jmk h PHE 99 Cb 1.01 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.56 2jmk h PHE 99 CO -0.00 0.00 0.22 0.87 -1.61 0.00 0.00 178.31 177.79 2jmk h LYS 100 N 0.00 0.00 0.00 1.51 1.57 -0.76 0.36 116.57 119.25 2jmk h LYS 100 Ca 0.05 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2jmk h LYS 100 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2jmk h LYS 100 CO -0.00 0.00 -0.30 -0.91 -0.57 0.00 0.00 179.45 177.67 2jmk h ASN 101 N 0.00 0.00 0.00 0.86 -0.26 -1.28 0.15 115.58 115.05 2jmk h ASN 101 Ca 0.08 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.80 2jmk h ASN 101 Cb 0.51 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.72 2jmk h ASN 101 CO -0.00 0.30 -0.43 2.29 -1.06 0.00 0.00 177.43 178.52 2jmk n LYS 102 N -3.28 1.18 0.00 0.81 0.00 0.92 -4.80 118.16 112.99 2jmk n LYS 102 Ca 0.01 -2.77 0.00 0.00 -0.00 0.00 0.00 58.31 55.56 2jmk n LYS 102 Cb 0.56 -1.29 0.00 0.00 -0.00 0.00 0.00 35.03 34.30 2jmk n LYS 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jmk n GLY 103 N -0.91 0.12 2.36 2.58 0.00 0.70 -4.96 105.19 105.08 2jmk n GLY 103 Ca 0.15 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 2jmk n GLY 103 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jmk n PHE 104 N -0.78 -0.64 -3.42 1.61 3.01 0.52 -4.81 117.46 112.95 2jmk n PHE 104 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.23 2jmk n PHE 104 Cb 0.00 -3.24 -0.10 0.00 -0.01 0.00 0.00 39.48 36.13 2jmk n PHE 104 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2jmk s LYS 105 N -4.19 0.51 -0.02 -1.08 2.36 -1.26 -5.00 119.74 111.06 2jmk s LYS 105 Ca 0.00 -0.88 0.06 0.00 -2.55 0.00 0.00 55.97 52.60 2jmk s LYS 105 Cb 0.00 -0.96 -0.01 0.00 -1.05 0.00 0.00 37.83 35.81 2jmk s LYS 105 CO 0.00 -1.16 -0.18 0.08 1.55 0.00 0.00 175.35 175.64 2jmk s VAL 106 N 1.52 1.46 -0.23 4.02 1.01 -1.26 -0.10 120.40 126.83 2jmk s VAL 106 Ca 0.15 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 2jmk s VAL 106 Cb -0.18 -1.22 0.12 0.00 0.00 0.00 0.00 36.38 35.10 2jmk s VAL 106 CO -0.10 0.41 0.31 -1.61 0.00 0.00 0.00 175.10 174.11 2jmk s GLU 107 N -0.41 0.28 -0.01 2.72 0.41 0.60 -4.98 118.70 117.30 2jmk s GLU 107 Ca 0.07 0.37 -0.01 0.00 -0.41 0.00 0.00 54.97 54.99 2jmk s GLU 107 Cb -0.07 -0.82 -0.04 0.00 -1.78 0.00 0.00 34.13 31.42 2jmk s GLU 107 CO -0.01 -0.65 0.08 0.95 -0.49 0.00 0.00 175.26 175.14 2jmk s THR 108 N 2.44 4.71 -0.49 3.63 -4.23 -1.26 -1.23 115.64 119.21 2jmk s THR 108 Ca 0.10 -0.39 -0.16 0.00 -1.18 0.00 0.00 61.69 60.06 2jmk s THR 108 Cb -0.16 -3.14 0.08 0.00 1.34 0.00 0.00 72.50 70.62 2jmk s THR 108 CO -0.14 0.37 0.46 -0.62 -0.54 0.00 0.00 174.62 174.15 2jmk s ASP 109 N -1.66 6.17 0.00 3.99 2.15 0.67 -4.96 116.67 123.03 2jmk s ASP 109 Ca 0.22 -1.28 0.03 0.00 0.43 0.00 0.00 52.55 51.96 2jmk s ASP 109 Cb -0.12 -2.21 0.21 0.00 -0.30 0.00 0.00 42.92 40.50 2jmk s ASP 109 CO 0.13 -0.73 0.69 0.23 -0.17 0.00 0.00 175.17 175.32