#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 4.38 -0.47 3.17 2.01 -1.25 -4.96 115.64 118.52 2jmk s THR 2 Ca 0.00 -0.71 -0.20 0.00 0.31 0.00 0.00 61.69 61.09 2jmk s THR 2 Cb 0.00 -3.05 0.04 0.00 0.01 0.00 0.00 72.50 69.50 2jmk s THR 2 CO 0.00 0.22 0.61 -0.76 -0.69 0.00 0.00 174.62 174.00 2jmk s LEU 3 N -2.08 4.75 0.01 4.42 2.01 -1.26 -1.13 118.68 125.40 2jmk s LEU 3 Ca 0.25 -0.65 0.03 0.00 0.01 0.00 0.00 54.13 53.78 2jmk s LEU 3 Cb -0.12 -2.55 -0.03 0.00 0.01 0.00 0.00 46.19 43.49 2jmk s LEU 3 CO 0.17 -0.81 -0.06 0.00 1.01 0.00 0.00 176.35 176.67 2jmk s ALA 5 N -1.03 2.89 -0.29 0.00 0.00 0.81 -0.09 121.76 124.05 2jmk s ALA 5 Ca 0.18 -1.27 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 2jmk s ALA 5 Cb -0.11 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.20 2jmk s ALA 5 CO 0.09 0.63 0.02 -1.64 0.00 0.00 0.00 175.76 174.86 2jmk s MET 6 N -2.21 2.83 -0.39 0.00 -1.94 -0.34 -1.20 119.30 116.05 2jmk s MET 6 Ca 0.21 -1.01 -0.08 0.00 -1.71 0.00 0.00 55.69 53.09 2jmk s MET 6 Cb -0.11 -3.22 0.07 0.00 2.01 0.00 0.00 34.83 33.58 2jmk s MET 6 CO 0.13 -0.49 0.21 -0.47 -0.01 0.00 0.00 175.02 174.39 2jmk s TYR 7 N 1.39 3.32 -0.49 -0.03 6.14 -0.07 -1.29 117.35 126.32 2jmk s TYR 7 Ca -0.00 -1.51 -0.20 0.00 0.64 0.00 0.00 57.07 56.00 2jmk s TYR 7 Cb -0.18 -2.76 0.05 0.00 0.42 0.00 0.00 41.96 39.49 2jmk s TYR 7 CO -0.00 -0.81 0.67 1.21 0.64 0.00 0.00 175.55 177.26 2jmk s ASN 8 N 1.87 6.26 -0.10 4.32 3.04 0.15 -0.18 114.94 130.32 2jmk s ASN 8 Ca 0.02 -0.68 0.04 0.00 0.04 0.00 0.00 52.86 52.28 2jmk s ASN 8 Cb -0.22 -2.32 -0.01 0.00 -1.54 0.00 0.00 41.25 37.17 2jmk s ASN 8 CO 0.02 -0.90 -0.21 -0.51 -3.04 0.00 0.00 177.10 172.46 2jmk s ILE 9 N 2.86 2.33 -0.25 -5.21 2.07 -0.50 -0.08 121.20 122.41 2jmk s ILE 9 Ca 0.19 -0.94 -0.02 0.00 -1.41 0.00 0.00 60.65 58.47 2jmk s ILE 9 Cb -0.17 -1.90 0.08 0.00 0.13 0.00 0.00 42.46 40.60 2jmk s ILE 9 CO 0.15 0.56 0.07 -0.44 -1.91 0.00 0.00 174.94 173.36 2jmk s SER 10 N 0.18 3.44 1.12 4.50 0.01 0.48 -0.30 113.70 123.12 2jmk s SER 10 Ca -0.12 -1.20 -0.19 0.00 1.31 0.00 0.00 55.95 55.75 2jmk s SER 10 Cb -0.16 -0.67 0.10 0.00 0.21 0.00 0.00 66.02 65.50 2jmk s SER 10 CO 0.07 -0.36 -0.03 0.80 0.41 0.00 0.00 173.24 174.12 2jmk n MET 11 N 5.00 -1.58 -1.62 12.44 1.56 -1.26 -0.60 117.12 131.05 2jmk n MET 11 Ca -0.06 -0.45 -0.38 0.00 -0.27 0.00 0.00 57.70 56.55 2jmk n MET 11 Cb 0.44 -1.69 -0.03 0.00 2.15 0.00 0.00 33.22 34.10 2jmk n MET 11 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2jmk s ALA 12 N -2.23 1.90 -1.11 -5.12 0.00 -1.26 -2.98 121.76 110.96 2jmk s ALA 12 Ca 0.56 0.11 -0.10 0.00 0.00 0.00 0.00 51.96 52.52 2jmk s ALA 12 Cb -0.11 -4.29 -0.04 0.00 0.00 0.00 0.00 23.12 18.68 2jmk s ALA 12 CO 0.66 -4.07 0.86 0.41 0.00 0.00 0.00 175.76 173.62 2jmk n GLY 13 N 5.92 -0.97 0.12 0.00 0.00 -1.26 -4.88 105.19 104.11 2jmk n GLY 13 Ca 0.34 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.83 2jmk n GLY 13 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jmk n SER 14 N -3.02 0.00 0.00 1.61 7.64 -1.16 -5.10 113.62 113.59 2jmk n SER 14 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2jmk n SER 14 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 2jmk n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmk n HIS 15 N -1.13 0.00 -2.19 1.43 -0.00 -1.26 -5.02 115.22 107.05 2jmk n HIS 15 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 2jmk n HIS 15 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 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 -2.00 4.29 -0.27 -1.40 0.04 -1.26 -4.12 135.00 130.27 2jmk s PRO 16 Ca 0.00 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.09 2jmk s PRO 16 Cb 0.00 -3.48 0.07 0.00 0.04 0.00 0.00 34.50 31.13 2jmk s PRO 16 CO 0.00 -0.54 -0.05 0.99 0.04 0.00 0.00 177.00 177.43 2jmk s THR 17 N 2.04 2.00 -0.54 1.26 2.01 0.58 -5.00 115.64 118.00 2jmk s THR 17 Ca 0.65 -1.69 -0.25 0.00 0.31 0.00 0.00 61.69 60.70 2jmk s THR 17 Cb -0.34 -2.24 0.04 0.00 0.01 0.00 0.00 72.50 69.97 2jmk s THR 17 CO 0.28 -0.20 0.98 -0.89 -0.69 0.00 0.00 174.62 174.10 2jmk s THR 18 N 1.14 4.35 -0.41 -0.82 2.01 -1.26 -1.41 115.64 119.24 2jmk s THR 18 Ca -0.03 0.48 -0.10 0.00 0.31 0.00 0.00 61.69 62.35 2jmk s THR 18 Cb -0.19 -4.55 0.06 0.00 0.01 0.00 0.00 72.50 67.83 2jmk s THR 18 CO -0.07 -1.09 0.25 -0.63 -0.69 0.00 0.00 174.62 172.39 2jmk s ILE 19 N 4.06 4.38 -0.12 1.82 1.01 0.75 -4.94 121.20 128.15 2jmk s ILE 19 Ca 0.34 -1.21 -0.25 0.00 0.00 0.00 0.00 60.65 59.53 2jmk s ILE 19 Cb -0.11 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 2jmk s ILE 19 CO 0.22 -0.42 0.79 0.00 0.00 0.00 0.00 174.94 175.53 2jmk s VAL 21 N 1.61 -0.06 0.70 0.00 1.01 -0.34 -3.83 120.40 119.49 2jmk s VAL 21 Ca 0.39 0.22 -0.17 0.00 0.00 0.00 0.00 61.98 62.42 2jmk s VAL 21 Cb -0.17 -0.08 0.01 0.00 0.00 0.00 0.00 36.38 36.13 2jmk s VAL 21 CO 0.15 0.09 1.17 1.33 0.00 0.00 0.00 175.10 177.85 2jmk n VAL 22 N 4.18 3.78 -0.13 2.92 0.24 -1.26 -0.14 118.33 127.92 2jmk n VAL 22 Ca -0.28 -0.41 0.14 0.00 -2.04 0.00 0.00 64.34 61.75 2jmk n VAL 22 Cb 0.50 -1.31 0.51 0.00 -1.47 0.00 0.00 33.84 32.06 2jmk n VAL 22 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 2jmk h MET 23 N 0.04 0.39 0.00 7.34 4.05 -1.49 0.27 114.93 125.54 2jmk h MET 23 Ca -0.49 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 58.88 2jmk h MET 23 Cb 1.33 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 32.04 2jmk h MET 23 CO 0.50 0.26 -0.11 -0.44 0.23 0.00 0.00 176.91 177.35 2jmk h ASP 24 N 0.40 0.00 -0.18 1.39 3.32 -1.89 -2.19 116.42 117.27 2jmk h ASP 24 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 2jmk h ASP 24 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2jmk h ASP 24 CO -0.10 0.11 0.00 0.54 -1.72 0.00 0.00 179.24 178.07 2jmk n ARG 25 N -3.57 2.41 0.28 3.56 1.74 0.82 -4.72 116.66 117.20 2jmk n ARG 25 Ca -0.02 -2.68 -0.16 0.00 -0.77 0.00 0.00 57.85 54.23 2jmk n ARG 25 Cb 0.24 -1.68 -0.08 0.00 -1.02 0.00 0.00 32.46 29.92 2jmk n ARG 25 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2jmk h PHE 26 N 1.20 -0.66 -0.40 -1.55 3.04 -0.51 -0.62 116.94 117.45 2jmk h PHE 26 Ca 0.00 -0.02 0.04 0.00 3.98 0.00 0.00 57.97 61.98 2jmk h PHE 26 Cb 1.24 0.22 -0.04 0.00 2.56 0.00 0.00 35.95 39.93 2jmk h PHE 26 CO 0.31 -0.35 0.16 1.25 -2.02 0.00 0.00 178.31 177.66 2jmk h LEU 27 N -0.88 0.19 -0.53 0.59 5.85 -1.84 -1.24 115.31 117.44 2jmk h LEU 27 Ca -0.07 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.73 2jmk h LEU 27 Cb 0.61 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 2jmk h LEU 27 CO 0.12 0.15 0.28 -0.08 -0.34 0.00 0.00 178.44 178.57 2jmk h GLU 28 N 0.33 0.53 -0.04 1.25 4.81 -1.86 0.44 114.58 120.04 2jmk h GLU 28 Ca 0.18 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2jmk h GLU 28 Cb 0.14 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 2jmk h GLU 28 CO -0.17 0.35 0.00 1.03 -0.73 0.00 0.00 179.01 179.50 2jmk h SER 29 N 0.55 -0.00 -0.75 1.04 0.87 -0.56 -1.28 113.55 113.41 2jmk h SER 29 Ca 0.23 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2jmk h SER 29 Cb 0.12 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 2jmk h SER 29 CO -0.15 0.00 0.47 0.15 -0.53 0.00 0.00 176.83 176.77 2jmk h PHE 30 N 0.02 0.98 0.25 2.24 3.04 -0.90 0.03 116.94 122.60 2jmk h PHE 30 Ca 0.02 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.97 2jmk h PHE 30 Cb 0.01 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.19 2jmk h PHE 30 CO -0.09 0.64 -0.19 1.03 -2.02 0.00 0.00 178.31 177.68 2jmk h SER 31 N 1.02 -0.48 -0.21 0.41 0.87 -0.60 -0.92 113.55 113.64 2jmk h SER 31 Ca 0.27 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.83 2jmk h SER 31 Cb -0.06 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2jmk h SER 31 CO -0.05 -0.29 0.03 -0.08 -0.53 0.00 0.00 176.83 175.90 2jmk h GLU 32 N -0.44 0.46 -0.37 2.24 4.57 -1.08 -2.74 114.58 117.22 2jmk h GLU 32 Ca -0.02 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 2jmk h GLU 32 Cb 0.39 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 2jmk h GLU 32 CO -0.00 0.47 0.15 1.25 -1.18 0.00 0.00 179.01 179.70 2jmk h LEU 33 N 0.45 0.51 -2.62 1.64 7.12 -0.52 -0.98 115.31 120.92 2jmk h LEU 33 Ca 0.10 -0.16 0.01 0.00 0.13 0.00 0.00 57.88 57.96 2jmk h LEU 33 Cb 0.26 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 40.25 2jmk h LEU 33 CO 0.00 0.53 0.08 0.22 -0.13 0.00 0.00 178.44 179.15 2jmk h TYR 34 N 0.46 0.00 0.00 1.25 3.20 -0.87 0.16 116.97 121.18 2jmk h TYR 34 Ca 0.13 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 2jmk h TYR 34 Cb 0.18 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2jmk h TYR 34 CO -0.00 0.00 -0.29 -0.44 -1.64 0.00 0.00 178.16 175.78 2jmk h ASP 35 N 0.00 0.00 -0.85 -2.11 5.19 -1.32 -3.31 116.42 114.01 2jmk h ASP 35 Ca 0.01 0.00 0.13 0.00 -0.62 0.00 0.00 57.03 56.55 2jmk h ASP 35 Cb 0.18 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.63 2jmk h ASP 35 CO -0.00 0.55 0.55 -0.29 -3.12 0.00 0.00 179.24 176.93 2jmk h ILE 36 N -0.80 0.87 0.00 0.35 2.10 -1.08 0.12 117.51 119.07 2jmk h ILE 36 Ca 0.00 -0.23 -0.02 0.00 1.08 0.00 0.00 64.86 65.69 2jmk h ILE 36 Cb 0.29 0.12 -0.00 0.00 -1.09 0.00 0.00 36.82 36.15 2jmk h ILE 36 CO 0.00 0.12 -0.07 -0.29 -1.08 0.00 0.00 178.15 176.83 2jmk h ILE 37 N 0.68 0.89 -0.23 2.19 6.09 -0.86 -1.95 117.51 124.32 2jmk h ILE 37 Ca 0.42 -0.27 -0.15 0.00 -1.37 0.00 0.00 64.86 63.49 2jmk h ILE 37 Cb 0.65 1.15 -0.01 0.00 0.47 0.00 0.00 36.82 39.08 2jmk h ILE 37 CO -0.18 0.07 -0.48 -0.78 -3.07 0.00 0.00 178.15 173.71 2jmk h ASP 38 N 0.00 0.67 -2.73 2.19 1.82 -0.84 -3.44 116.42 114.09 2jmk h ASP 38 Ca -0.00 -0.33 -0.48 0.00 -0.39 0.00 0.00 57.03 55.82 2jmk h ASP 38 Cb 0.14 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 39.96 2jmk h ASP 38 CO 0.01 1.04 -0.25 -1.61 -1.61 0.00 0.00 179.24 176.82 2jmk s GLU 39 N -4.13 3.49 -0.77 0.28 2.02 -0.73 -5.02 118.70 113.84 2jmk s GLU 39 Ca -0.08 -0.39 -0.01 0.00 0.02 0.00 0.00 54.97 54.51 2jmk s GLU 39 Cb 0.12 -2.73 0.37 0.00 0.10 0.00 0.00 34.13 31.99 2jmk s GLU 39 CO 0.84 0.24 1.90 0.27 0.02 0.00 0.00 175.26 178.54 2jmk n ASN 40 N -1.48 7.17 -4.52 -0.19 6.94 -1.26 -4.90 115.26 117.01 2jmk n ASN 40 Ca -0.05 -3.82 -0.43 0.00 -0.02 0.00 0.00 54.58 50.26 2jmk n ASN 40 Cb 0.56 -0.97 -0.05 0.00 -2.36 0.00 0.00 39.78 36.96 2jmk n ASN 40 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 2jmk s ASP 41 N -1.51 6.35 -0.14 0.53 1.01 -1.26 -4.91 116.67 116.73 2jmk s ASP 41 Ca 0.53 -0.34 -0.25 0.00 0.71 0.00 0.00 52.55 53.20 2jmk s ASP 41 Cb 0.44 -2.40 -0.22 0.00 1.01 0.00 0.00 42.92 41.75 2jmk s ASP 41 CO -0.34 -1.07 0.61 0.74 0.21 0.00 0.00 175.17 175.32 2jmk h THR 42 N 5.99 1.47 -0.26 -1.27 2.02 -1.99 -3.02 112.91 115.86 2jmk h THR 42 Ca -0.26 -2.16 0.08 0.00 0.77 0.00 0.00 66.41 64.84 2jmk h THR 42 Cb 1.08 2.84 -0.01 0.00 -1.74 0.00 0.00 68.15 70.32 2jmk h THR 42 CO 1.03 0.50 0.27 0.44 0.37 0.00 0.00 175.52 178.12 2jmk h ASP 43 N -1.00 0.00 1.31 4.18 3.32 -2.03 0.23 116.42 122.43 2jmk h ASP 43 Ca -0.04 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 2jmk h ASP 43 Cb 0.91 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 2jmk h ASP 43 CO -0.02 0.00 -0.72 0.58 -1.72 0.00 0.00 179.24 177.36 2jmk h VAL 44 N 0.00 0.54 -0.02 -1.35 2.07 -1.98 -3.35 116.25 112.16 2jmk h VAL 44 Ca 0.12 -1.83 0.03 0.00 0.82 0.00 0.00 66.70 65.84 2jmk h VAL 44 Cb 0.66 2.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.55 2jmk h VAL 44 CO -0.00 0.31 -0.15 -0.03 0.02 0.00 0.00 177.57 177.72 2jmk h MET 45 N 0.00 -0.22 0.24 1.57 -1.53 -0.40 0.98 114.93 115.57 2jmk h MET 45 Ca -0.04 0.02 0.01 0.00 -3.44 0.00 0.00 59.70 56.24 2jmk h MET 45 Cb 1.33 0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 32.40 2jmk h MET 45 CO 0.04 -0.15 -0.37 1.98 0.14 0.00 0.00 176.91 178.55 2jmk h MET 46 N -0.23 -0.66 -0.81 0.39 -1.53 -1.69 0.16 114.93 110.56 2jmk h MET 46 Ca 0.06 0.04 0.12 0.00 -3.44 0.00 0.00 59.70 56.48 2jmk h MET 46 Cb 0.31 0.15 -0.06 0.00 -0.55 0.00 0.00 31.60 31.45 2jmk h MET 46 CO -0.16 -0.44 0.53 -0.44 0.14 0.00 0.00 176.91 176.54 2jmk h ASP 47 N -0.68 0.60 -0.26 1.39 3.32 -1.66 -0.79 116.42 118.34 2jmk h ASP 47 Ca -0.00 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 2jmk h ASP 47 Cb 0.66 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2jmk h ASP 47 CO -0.14 0.33 -0.10 0.15 -1.72 0.00 0.00 179.24 177.76 2jmk h PHE 48 N 0.65 0.61 -0.78 4.55 3.57 0.08 0.25 116.94 125.88 2jmk h PHE 48 Ca 0.39 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 2jmk h PHE 48 Cb 0.60 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 2jmk h PHE 48 CO -0.00 0.77 0.38 0.82 -2.23 0.00 0.00 178.31 178.06 2jmk h ILE 49 N 0.27 1.24 0.00 1.41 2.04 0.29 -1.06 117.51 121.70 2jmk h ILE 49 Ca 0.06 -0.67 -0.12 0.00 1.00 0.00 0.00 64.86 65.14 2jmk h ILE 49 Cb 0.60 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 2jmk h ILE 49 CO 0.03 0.29 -0.56 0.28 0.00 0.00 0.00 178.15 178.19 2jmk h SER 50 N 1.09 0.00 -0.07 1.72 0.02 -1.13 0.28 113.55 115.45 2jmk h SER 50 Ca 0.27 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.18 2jmk h SER 50 Cb 0.10 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 2jmk h SER 50 CO -0.04 0.56 -0.09 -0.09 -1.14 0.00 0.00 176.83 176.04 2jmk h ARG 51 N 0.00 0.19 0.01 3.45 2.43 -0.02 -3.37 114.38 117.07 2jmk h ARG 51 Ca -0.01 -0.11 -0.21 0.00 -0.81 0.00 0.00 59.98 58.85 2jmk h ARG 51 Cb 1.36 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.88 2jmk h ARG 51 CO 0.07 0.65 -1.14 0.74 -1.51 0.00 0.00 179.97 178.78 2jmk h PHE 52 N -0.25 0.04 -3.16 2.20 -1.00 -1.29 -3.47 116.94 110.00 2jmk h PHE 52 Ca 0.01 -0.03 -0.58 0.00 2.81 0.00 0.00 57.97 60.18 2jmk h PHE 52 Cb 0.62 -0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.14 2jmk h PHE 52 CO 0.10 1.45 -0.20 0.00 -1.61 0.00 0.00 178.31 178.04 2jmk s ALA 53 N -2.36 3.69 -1.28 2.45 0.00 0.99 -4.77 121.76 120.48 2jmk s ALA 53 Ca -0.27 -0.31 0.22 0.00 0.00 0.00 0.00 51.96 51.59 2jmk s ALA 53 Cb 0.05 -2.34 1.05 0.00 0.00 0.00 0.00 23.12 21.88 2jmk s ALA 53 CO 0.62 0.54 1.71 -2.13 0.00 0.00 0.00 175.76 176.49 2jmk n ARG 54 N 0.88 0.20 -3.06 0.00 3.00 -1.26 -3.79 116.66 112.62 2jmk n ARG 54 Ca -0.07 0.10 -0.13 0.00 -0.00 0.00 0.00 57.85 57.75 2jmk n ARG 54 Cb 0.52 -1.50 0.07 0.00 0.00 0.00 0.00 32.46 31.55 2jmk n ARG 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2jmk n THR 55 N -1.36 -4.94 -3.55 5.15 -1.04 -1.26 -5.01 114.28 102.26 2jmk n THR 55 Ca 0.09 -0.47 -0.01 0.00 -2.04 0.00 0.00 64.05 61.62 2jmk n THR 55 Cb 0.20 -4.58 -0.05 0.00 -1.82 0.00 0.00 70.33 64.08 2jmk n THR 55 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2jmk s ASP 56 N -3.95 -0.79 -1.20 8.00 1.01 -1.26 -5.07 116.67 113.41 2jmk s ASP 56 Ca 0.04 1.13 -0.06 0.00 0.71 0.00 0.00 52.55 54.38 2jmk s ASP 56 Cb -0.01 1.74 0.22 0.00 1.01 0.00 0.00 42.92 45.89 2jmk s ASP 56 CO 0.56 -0.16 1.82 -1.84 0.21 0.00 0.00 175.17 175.76 2jmk n GLU 57 N 4.80 4.24 -3.91 8.23 0.28 -1.26 -4.93 120.64 128.08 2jmk n GLU 57 Ca -0.13 -3.97 -0.35 0.00 -0.16 0.00 0.00 57.16 52.55 2jmk n GLU 57 Cb 0.53 -2.70 -0.14 0.00 1.43 0.00 0.00 31.44 30.57 2jmk n GLU 57 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2jmk s ILE 58 N -1.37 2.94 -0.68 3.84 -1.09 -1.26 -5.02 121.20 118.56 2jmk s ILE 58 Ca 0.39 -1.48 0.05 0.00 -2.23 0.00 0.00 60.65 57.37 2jmk s ILE 58 Cb 0.10 -2.74 0.24 0.00 -1.58 0.00 0.00 42.46 38.49 2jmk s ILE 58 CO 0.01 -0.16 0.76 0.80 -1.23 0.00 0.00 174.94 175.12 2jmk n MET 59 N 4.60 2.57 0.02 2.79 1.56 -1.26 -4.88 117.12 122.51 2jmk n MET 59 Ca -0.12 -4.64 -0.06 0.00 -0.27 0.00 0.00 57.70 52.60 2jmk n MET 59 Cb 0.43 -2.28 0.12 0.00 2.15 0.00 0.00 33.22 33.64 2jmk n MET 59 CO 0.00 0.00 0.00 -1.00 -0.73 0.00 0.00 175.97 174.24 2jmk h PRO 60 N 4.44 0.49 0.00 2.12 0.13 -2.03 -3.37 132.00 133.77 2jmk h PRO 60 Ca 0.19 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2jmk h PRO 60 Cb 0.67 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2jmk h PRO 60 CO 0.85 0.83 -0.22 0.39 -0.23 0.00 0.00 178.00 179.63 2jmk n GLU 61 N -4.01 0.00 -2.74 0.86 -0.58 -1.26 -5.12 120.64 107.79 2jmk n GLU 61 Ca -0.02 -0.46 -0.22 0.00 -0.42 0.00 0.00 57.16 56.05 2jmk n GLU 61 Cb 0.53 -0.24 0.03 0.00 -0.57 0.00 0.00 31.44 31.19 2jmk n GLU 61 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2jmk s ASP 62 N -0.44 5.45 0.03 1.62 1.11 -1.26 -3.97 116.67 119.20 2jmk s ASP 62 Ca 0.00 0.10 0.01 0.00 0.18 0.00 0.00 52.55 52.84 2jmk s ASP 62 Cb 0.00 -1.10 -0.02 0.00 1.07 0.00 0.00 42.92 42.87 2jmk s ASP 62 CO 0.00 -1.01 -0.05 -0.75 1.18 0.00 0.00 175.17 174.54 2jmk s LYS 63 N -4.71 0.39 0.10 8.23 2.20 -0.28 -4.90 119.74 120.77 2jmk s LYS 63 Ca 0.54 -0.61 -0.31 0.00 -0.36 0.00 0.00 55.97 55.24 2jmk s LYS 63 Cb -0.10 -0.11 -0.06 0.00 -1.51 0.00 0.00 37.83 36.05 2jmk s LYS 63 CO 0.38 0.01 1.22 0.99 -0.36 0.00 0.00 175.35 177.59 2jmk s THR 64 N -1.24 3.84 -0.05 3.43 2.01 -1.26 -0.71 115.64 121.66 2jmk s THR 64 Ca -0.11 1.37 0.15 0.00 0.31 0.00 0.00 61.69 63.41 2jmk s THR 64 Cb -0.09 -3.88 -0.23 0.00 0.01 0.00 0.00 72.50 68.31 2jmk s THR 64 CO -0.00 0.13 0.28 0.55 -0.69 0.00 0.00 174.62 174.89 2jmk n VAL 65 N 3.59 0.22 0.00 3.82 3.14 0.87 -4.83 118.33 125.13 2jmk n VAL 65 Ca 0.08 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 2jmk n VAL 65 Cb 0.45 -0.02 0.00 0.00 -1.06 0.00 0.00 33.84 33.21 2jmk n VAL 65 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2jmk n GLY 66 N 1.72 1.44 3.09 7.55 0.00 -1.26 -0.07 105.19 117.66 2jmk n GLY 66 Ca -0.07 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 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 1.33 -0.16 1.61 2.19 0.29 -1.20 117.98 120.05 2jmk s PHE 67 Ca 0.00 -0.32 0.00 0.00 0.33 0.00 0.00 56.93 56.94 2jmk s PHE 67 Cb 0.00 -0.89 0.02 0.00 -1.31 0.00 0.00 43.02 40.84 2jmk s PHE 67 CO 0.00 -0.09 -0.14 0.08 1.83 0.00 0.00 175.22 176.89 2jmk s VAL 68 N -0.06 1.63 -0.15 3.12 1.01 -0.41 -0.23 120.40 125.31 2jmk s VAL 68 Ca -0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 2jmk s VAL 68 Cb -0.08 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 2jmk s VAL 68 CO 0.01 0.44 0.33 -0.69 0.00 0.00 0.00 175.10 175.19 2jmk s VAL 69 N 1.46 5.28 -0.21 2.92 1.01 0.85 -0.67 120.40 131.03 2jmk s VAL 69 Ca 0.04 0.63 -0.04 0.00 0.00 0.00 0.00 61.98 62.62 2jmk s VAL 69 Cb -0.13 -3.66 0.10 0.00 0.00 0.00 0.00 36.38 32.69 2jmk s VAL 69 CO -0.11 0.39 0.26 -0.69 0.00 0.00 0.00 175.10 174.96 2jmk s VAL 70 N 0.40 -0.40 -0.19 2.92 1.01 0.88 -0.22 120.40 124.81 2jmk s VAL 70 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 2jmk s VAL 70 Cb -0.13 -0.71 0.05 0.00 0.00 0.00 0.00 36.38 35.59 2jmk s VAL 70 CO 0.05 -0.18 -0.01 0.20 0.00 0.00 0.00 175.10 175.17 2jmk s ASN 71 N 2.39 3.11 0.34 3.32 0.01 0.84 -0.39 114.94 124.56 2jmk s ASN 71 Ca 0.08 -0.86 0.18 0.00 -0.71 0.00 0.00 52.86 51.55 2jmk s ASN 71 Cb -0.16 -0.82 0.43 0.00 0.41 0.00 0.00 41.25 41.12 2jmk s ASN 71 CO -0.13 -0.26 1.61 0.00 -1.51 0.00 0.00 177.10 176.81 2jmk h ALA 72 N 8.14 0.84 0.09 0.60 0.00 -1.04 0.11 119.26 128.00 2jmk h ALA 72 Ca -0.18 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 2jmk h ALA 72 Cb 1.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2jmk h ALA 72 CO 0.37 0.49 -0.04 0.22 0.00 0.00 0.00 179.25 180.29 2jmk h ASP 73 N 0.00 -0.10 -0.05 0.00 3.58 -1.69 -3.27 116.42 114.89 2jmk h ASP 73 Ca -0.00 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 56.95 2jmk h ASP 73 Cb 1.10 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2jmk h ASP 73 CO 0.05 0.53 0.00 0.29 -2.88 0.00 0.00 179.24 177.23 2jmk n LYS 74 N -4.84 1.58 -3.77 0.28 4.76 -1.24 -4.89 118.16 110.03 2jmk n LYS 74 Ca -0.08 -0.85 -0.24 0.00 -2.87 0.00 0.00 58.31 54.28 2jmk n LYS 74 Cb 0.29 -1.45 0.02 0.00 -1.84 0.00 0.00 35.03 32.05 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 0.04 -3.85 -4.40 1.97 5.02 0.19 -4.98 118.16 112.15 2jmk n LYS 75 Ca 0.19 0.54 -0.32 0.00 -2.02 0.00 0.00 58.31 56.70 2jmk n LYS 75 Cb 0.31 -4.85 -0.16 0.00 -0.02 0.00 0.00 35.03 30.30 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 -6.71 1.98 -0.09 -0.35 1.43 -0.10 -4.08 118.68 110.77 2jmk s LEU 76 Ca 0.07 -0.57 -0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2jmk s LEU 76 Cb -0.02 -1.35 0.02 0.00 0.03 0.00 0.00 46.19 44.87 2jmk s LEU 76 CO 0.84 0.03 -0.07 -0.04 0.23 0.00 0.00 176.35 177.34 2jmk s MET 77 N 1.06 1.32 0.03 1.70 -1.94 0.88 -0.11 119.30 122.24 2jmk s MET 77 Ca -0.02 -0.20 -0.02 0.00 -1.71 0.00 0.00 55.69 53.75 2jmk s MET 77 Cb -0.14 -1.37 -0.02 0.00 2.01 0.00 0.00 34.83 35.30 2jmk s MET 77 CO -0.06 -0.21 -0.00 -1.12 -0.01 0.00 0.00 175.02 173.62 2jmk s SER 78 N 1.52 0.31 -0.02 3.03 0.01 0.70 -0.78 113.70 118.47 2jmk s SER 78 Ca 0.00 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.60 2jmk s SER 78 Cb -0.13 0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.28 2jmk s SER 78 CO -0.05 -0.44 0.00 -0.69 0.41 0.00 0.00 173.24 172.47 2jmk s VAL 79 N -2.52 0.12 -0.32 3.43 1.01 0.54 -0.11 120.40 122.55 2jmk s VAL 79 Ca -0.06 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 2jmk s VAL 79 Cb -0.02 -0.19 0.11 0.00 0.00 0.00 0.00 36.38 36.28 2jmk s VAL 79 CO -0.05 0.10 0.13 -0.44 0.00 0.00 0.00 175.10 174.85 2jmk s SER 80 N 0.70 3.72 -0.12 3.32 0.01 0.68 -0.99 113.70 121.02 2jmk s SER 80 Ca -0.07 -1.66 -0.12 0.00 1.31 0.00 0.00 55.95 55.41 2jmk s SER 80 Cb -0.10 -0.65 -0.05 0.00 0.21 0.00 0.00 66.02 65.43 2jmk s SER 80 CO -0.01 -0.40 0.25 -0.36 0.41 0.00 0.00 173.24 173.13 2jmk s PHE 81 N 1.62 3.55 -0.06 2.43 0.40 -1.26 -0.54 117.98 124.10 2jmk s PHE 81 Ca 0.11 0.62 0.03 0.00 -0.60 0.00 0.00 56.93 57.10 2jmk s PHE 81 Cb -0.18 -2.20 0.01 0.00 0.51 0.00 0.00 43.02 41.16 2jmk s PHE 81 CO -0.24 0.47 -0.15 0.45 0.70 0.00 0.00 175.22 176.44 2jmk s SER 82 N -0.27 2.08 -0.88 1.36 0.15 0.90 -4.84 113.70 112.20 2jmk s SER 82 Ca 0.16 -0.35 -0.04 0.00 0.70 0.00 0.00 55.95 56.42 2jmk s SER 82 Cb -0.13 -0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 63.28 2jmk s SER 82 CO 0.05 0.09 0.79 0.47 1.20 0.00 0.00 173.24 175.83 2jmk n ASP 83 N 3.57 -6.65 -4.03 5.45 8.00 -1.26 -4.64 116.55 116.98 2jmk n ASP 83 Ca -0.21 -0.47 -0.25 0.00 0.71 0.00 0.00 54.79 54.57 2jmk n ASP 83 Cb 0.52 -4.91 -0.08 0.00 -0.02 0.00 0.00 41.12 36.63 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 -3.25 0.52 0.28 0.53 -4.36 -1.26 -5.12 121.20 108.55 2jmk s ILE 84 Ca 0.29 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.71 2jmk s ILE 84 Cb -0.04 -2.34 -0.03 0.00 1.25 0.00 0.00 42.46 41.30 2jmk s ILE 84 CO 0.69 0.00 0.43 -0.62 0.24 0.00 0.00 174.94 175.68 2jmk s ASP 85 N -3.59 6.29 0.07 4.36 2.15 -1.26 -5.03 116.67 119.66 2jmk s ASP 85 Ca 0.25 0.20 -0.15 0.00 0.43 0.00 0.00 52.55 53.28 2jmk s ASP 85 Cb 0.02 -1.90 -0.21 0.00 -0.30 0.00 0.00 42.92 40.54 2jmk s ASP 85 CO 0.16 -0.17 1.21 1.05 -0.17 0.00 0.00 175.17 177.25 2jmk h GLU 86 N 1.01 0.69 -0.07 4.34 4.11 -2.02 -3.08 114.58 119.56 2jmk h GLU 86 Ca -0.51 -0.67 0.03 0.00 0.07 0.00 0.00 59.36 58.28 2jmk h GLU 86 Cb 1.23 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.62 2jmk h GLU 86 CO 0.61 1.27 -0.14 -0.91 0.07 0.00 0.00 179.01 179.91 2jmk h ASN 87 N 0.36 -0.41 -0.01 3.06 2.35 -2.03 -0.94 115.58 117.96 2jmk h ASN 87 Ca -0.10 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2jmk h ASN 87 Cb 1.54 0.19 -0.00 0.00 0.05 0.00 0.00 38.32 40.10 2jmk h ASN 87 CO 0.18 -0.19 0.01 -0.03 -1.65 0.00 0.00 177.43 175.75 2jmk h MET 88 N -0.20 0.00 -0.41 0.81 4.05 -1.99 -1.43 114.93 115.76 2jmk h MET 88 Ca 0.07 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.58 2jmk h MET 88 Cb 0.29 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 2jmk h MET 88 CO -0.18 0.00 0.29 -0.22 0.23 0.00 0.00 176.91 177.02 2jmk h LYS 89 N 0.00 0.17 0.51 0.39 3.64 -1.07 -1.12 116.57 119.08 2jmk h LYS 89 Ca 0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2jmk h LYS 89 Cb 0.02 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2jmk h LYS 89 CO -0.00 0.11 -0.24 -0.22 -2.27 0.00 0.00 179.45 176.83 2jmk h LYS 90 N 0.17 -0.66 0.01 1.90 3.64 -1.24 0.24 116.57 120.64 2jmk h LYS 90 Ca 0.19 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2jmk h LYS 90 Cb 0.53 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2jmk h LYS 90 CO -0.03 -0.43 -0.01 0.28 -2.27 0.00 0.00 179.45 177.00 2jmk h VAL 91 N -0.71 1.15 -0.22 2.00 2.07 -1.57 -1.07 116.25 117.89 2jmk h VAL 91 Ca -0.07 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 67.01 2jmk h VAL 91 Cb 0.54 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 2jmk h VAL 91 CO 0.11 0.12 -0.06 0.40 0.02 0.00 0.00 177.57 178.17 2jmk h ILE 92 N -0.22 0.77 -0.11 4.57 2.04 -1.22 -0.62 117.51 122.71 2jmk h ILE 92 Ca -0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2jmk h ILE 92 Cb 0.22 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2jmk h ILE 92 CO 0.00 0.00 0.03 0.50 0.00 0.00 0.00 178.15 178.69 2jmk h LYS 93 N -0.00 0.08 -0.39 2.37 1.63 -0.48 -1.25 116.57 118.53 2jmk h LYS 93 Ca 0.11 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.97 2jmk h LYS 93 Cb 0.17 -0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.72 2jmk h LYS 93 CO -0.23 0.06 0.02 0.00 -3.45 0.00 0.00 179.45 175.84 2jmk h ALA 94 N 1.07 0.38 0.33 5.00 0.00 -0.81 0.17 119.26 125.39 2jmk h ALA 94 Ca 0.05 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2jmk h ALA 94 Cb 0.03 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jmk h ALA 94 CO -0.05 -0.38 -0.20 1.15 0.00 0.00 0.00 179.25 179.77 2jmk h THR 95 N 0.13 0.58 0.00 0.00 2.02 -0.86 -0.40 112.91 114.39 2jmk h THR 95 Ca 0.19 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.37 2jmk h THR 95 Cb 0.26 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2jmk h THR 95 CO -0.30 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.58 2jmk h ALA 96 N 0.14 1.62 -0.05 6.16 0.00 -0.90 -2.08 119.26 124.17 2jmk h ALA 96 Ca -0.03 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 2jmk h ALA 96 Cb 0.42 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2jmk h ALA 96 CO 0.04 0.01 -0.76 1.49 0.00 0.00 0.00 179.25 180.03 2jmk h GLU 97 N 0.00 0.59 -0.40 0.00 4.81 0.06 -3.18 114.58 116.47 2jmk h GLU 97 Ca -0.00 -0.58 0.12 0.00 -0.13 0.00 0.00 59.36 58.77 2jmk h GLU 97 Cb 0.02 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2jmk h GLU 97 CO 0.00 1.20 0.30 -0.22 -0.73 0.00 0.00 179.01 179.56 2jmk h LYS 98 N 0.21 0.00 -0.10 1.92 1.63 -0.36 0.73 116.57 120.60 2jmk h LYS 98 Ca -0.08 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.75 2jmk h LYS 98 Cb 1.43 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.05 2jmk h LYS 98 CO 0.15 0.00 0.16 0.74 -3.45 0.00 0.00 179.45 177.05 2jmk h PHE 99 N 0.00 0.00 -0.89 1.91 -1.00 -1.51 -1.46 116.94 113.99 2jmk h PHE 99 Ca 0.19 0.00 0.25 0.00 2.81 0.00 0.00 57.97 61.22 2jmk h PHE 99 Cb 0.79 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.31 2jmk h PHE 99 CO 0.00 0.00 0.64 -0.22 -1.61 0.00 0.00 178.31 177.12 2jmk h LYS 100 N 0.00 0.03 -0.97 1.51 3.64 -0.97 0.28 116.57 120.09 2jmk h LYS 100 Ca 0.05 -0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.60 2jmk h LYS 100 Cb 0.36 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.07 2jmk h LYS 100 CO -0.00 0.02 0.58 -0.91 -2.27 0.00 0.00 179.45 176.87 2jmk h ASN 101 N 0.04 0.75 0.00 4.20 2.35 -1.47 -2.52 115.58 118.92 2jmk h ASN 101 Ca 0.43 0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 56.23 2jmk h ASN 101 Cb 1.65 -0.04 -0.08 0.00 0.05 0.00 0.00 38.32 39.90 2jmk h ASN 101 CO -0.02 0.29 -0.48 0.29 -1.65 0.00 0.00 177.43 175.86 2jmk n LYS 102 N -4.77 0.95 -2.89 0.81 4.01 0.15 -4.91 118.16 111.50 2jmk n LYS 102 Ca 0.21 -2.52 -0.02 0.00 -0.51 0.00 0.00 58.31 55.47 2jmk n LYS 102 Cb 0.51 -1.09 0.00 0.00 -0.51 0.00 0.00 35.03 33.95 2jmk n LYS 102 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2jmk s GLY 103 N -2.57 -1.28 0.17 0.72 0.00 0.74 -5.02 107.32 100.07 2jmk s GLY 103 Ca 0.30 -0.18 -0.18 0.00 0.00 0.00 0.00 44.72 44.66 2jmk s GLY 103 CO -0.05 3.69 1.65 0.74 0.00 0.00 0.00 173.10 179.13 2jmk h PHE 104 N 5.59 -0.34 -0.71 1.90 0.04 -1.83 -3.33 116.94 118.27 2jmk h PHE 104 Ca 0.05 0.04 -0.32 0.00 2.80 0.00 0.00 57.97 60.54 2jmk h PHE 104 Cb 1.13 0.21 -0.05 0.00 2.20 0.00 0.00 35.95 39.44 2jmk h PHE 104 CO 0.11 -0.22 0.85 0.21 -0.60 0.00 0.00 178.31 178.66 2jmk s LYS 105 N -6.18 2.63 -0.09 1.51 2.36 -1.26 -4.91 119.74 113.81 2jmk s LYS 105 Ca -0.14 -0.49 0.01 0.00 -2.55 0.00 0.00 55.97 52.80 2jmk s LYS 105 Cb 0.14 -5.11 0.02 0.00 -1.05 0.00 0.00 37.83 31.83 2jmk s LYS 105 CO 0.70 -3.37 -0.09 0.54 1.55 0.00 0.00 175.35 174.68 2jmk s VAL 106 N 9.80 1.02 -0.10 4.02 0.11 -1.25 -0.09 120.40 133.91 2jmk s VAL 106 Ca 0.68 -0.34 -0.01 0.00 -2.93 0.00 0.00 61.98 59.37 2jmk s VAL 106 Cb -0.05 -0.99 0.03 0.00 -1.53 0.00 0.00 36.38 33.84 2jmk s VAL 106 CO 0.01 0.35 -0.01 -1.83 -3.33 0.00 0.00 175.10 170.29 2jmk s GLU 107 N 1.23 0.83 -0.26 1.54 -1.05 0.04 -5.00 118.70 116.03 2jmk s GLU 107 Ca -0.04 -0.08 -0.05 0.00 -0.15 0.00 0.00 54.97 54.65 2jmk s GLU 107 Cb -0.14 -1.33 0.00 0.00 -0.44 0.00 0.00 34.13 32.22 2jmk s GLU 107 CO -0.03 -0.36 0.03 0.95 0.95 0.00 0.00 175.26 176.80 2jmk s THR 108 N 1.89 3.67 -0.54 1.83 -4.23 -1.26 -0.34 115.64 116.65 2jmk s THR 108 Ca 0.04 -0.65 -0.26 0.00 -1.18 0.00 0.00 61.69 59.64 2jmk s THR 108 Cb -0.13 -2.82 -0.04 0.00 1.34 0.00 0.00 72.50 70.85 2jmk s THR 108 CO -0.06 0.21 2.09 -0.62 -0.54 0.00 0.00 174.62 175.70 2jmk s ASP 109 N 1.48 4.95 0.00 3.99 -1.08 -0.16 -4.96 116.67 120.89 2jmk s ASP 109 Ca 0.03 0.72 0.24 0.00 -0.52 0.00 0.00 52.55 53.02 2jmk s ASP 109 Cb -0.16 -2.52 1.46 0.00 -1.46 0.00 0.00 42.92 40.24 2jmk s ASP 109 CO 0.00 -2.55 1.82 0.80 0.52 0.00 0.00 175.17 175.76