#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 5.23 -0.28 3.17 2.01 -1.26 -5.02 115.64 119.48 2jmk s THR 2 Ca 0.00 0.60 0.03 0.00 0.31 0.00 0.00 61.69 62.63 2jmk s THR 2 Cb 0.00 -3.61 0.07 0.00 0.01 0.00 0.00 72.50 68.97 2jmk s THR 2 CO 0.00 0.55 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.65 2jmk s LEU 3 N -0.74 3.76 0.18 4.42 1.43 -1.26 -0.40 118.68 126.07 2jmk s LEU 3 Ca 0.20 -1.58 0.05 0.00 -1.03 0.00 0.00 54.13 51.77 2jmk s LEU 3 Cb -0.15 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 2jmk s LEU 3 CO 0.09 -0.24 0.17 0.00 0.23 0.00 0.00 176.35 176.60 2jmk s ALA 5 N -1.81 2.34 -0.38 0.00 0.00 0.84 -0.07 121.76 122.68 2jmk s ALA 5 Ca 0.32 -1.50 -0.08 0.00 0.00 0.00 0.00 51.96 50.69 2jmk s ALA 5 Cb -0.10 -0.34 0.05 0.00 0.00 0.00 0.00 23.12 22.74 2jmk s ALA 5 CO 0.24 0.47 0.19 -1.64 0.00 0.00 0.00 175.76 175.02 2jmk s MET 6 N -2.28 2.64 -0.45 0.00 -1.94 -0.37 -1.26 119.30 115.64 2jmk s MET 6 Ca 0.15 -1.27 -0.15 0.00 -1.71 0.00 0.00 55.69 52.71 2jmk s MET 6 Cb -0.09 -3.64 0.06 0.00 2.01 0.00 0.00 34.83 33.16 2jmk s MET 6 CO 0.07 -0.79 0.36 -0.47 -0.01 0.00 0.00 175.02 174.18 2jmk s TYR 7 N 1.44 3.25 -0.23 -0.03 6.14 0.55 -1.13 117.35 127.33 2jmk s TYR 7 Ca 0.01 -0.86 -0.18 0.00 0.64 0.00 0.00 57.07 56.68 2jmk s TYR 7 Cb -0.21 -3.01 -0.03 0.00 0.42 0.00 0.00 41.96 39.14 2jmk s TYR 7 CO 0.03 -0.74 0.51 1.21 0.64 0.00 0.00 175.55 177.20 2jmk s ASN 8 N 2.34 6.48 -0.05 4.32 2.47 0.62 -0.34 114.94 130.78 2jmk s ASN 8 Ca 0.04 0.58 0.01 0.00 0.42 0.00 0.00 52.86 53.91 2jmk s ASN 8 Cb -0.23 -2.28 0.02 0.00 -1.45 0.00 0.00 41.25 37.31 2jmk s ASN 8 CO 0.07 -0.23 -0.07 -0.51 -3.72 0.00 0.00 177.10 172.64 2jmk s ILE 9 N 1.99 0.73 -0.41 -5.21 2.07 -0.48 -0.06 121.20 119.84 2jmk s ILE 9 Ca 0.22 -0.24 0.01 0.00 -1.41 0.00 0.00 60.65 59.23 2jmk s ILE 9 Cb -0.15 -0.71 0.14 0.00 0.13 0.00 0.00 42.46 41.86 2jmk s ILE 9 CO 0.09 0.27 0.23 -0.55 -1.91 0.00 0.00 174.94 173.07 2jmk s SER 10 N 0.80 3.29 1.18 4.50 0.15 0.43 -0.16 113.70 123.89 2jmk s SER 10 Ca -0.13 -2.48 -0.17 0.00 0.70 0.00 0.00 55.95 53.87 2jmk s SER 10 Cb -0.15 -0.76 0.21 0.00 -1.71 0.00 0.00 66.02 63.61 2jmk s SER 10 CO 0.01 -0.28 0.41 0.80 1.20 0.00 0.00 173.24 175.39 2jmk n MET 11 N 3.70 -2.55 -1.53 5.44 1.56 -1.26 -0.78 117.12 121.71 2jmk n MET 11 Ca 0.11 -0.74 -0.39 0.00 -0.27 0.00 0.00 57.70 56.41 2jmk n MET 11 Cb 0.36 -1.77 -0.06 0.00 2.15 0.00 0.00 33.22 33.90 2jmk n MET 11 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2jmk n ALA 12 N -4.80 0.74 -3.46 -5.12 0.00 -1.26 -2.03 120.51 104.57 2jmk n ALA 12 Ca 0.04 -0.66 -0.19 0.00 0.00 0.00 0.00 53.44 52.63 2jmk n ALA 12 Cb 0.54 -2.90 0.07 0.00 0.00 0.00 0.00 19.45 17.16 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 6.17 -0.64 0.17 0.00 0.00 -1.26 -4.92 105.19 104.71 2jmk n GLY 13 Ca 0.44 0.28 0.02 0.00 0.00 0.00 0.00 46.02 46.77 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 -3.10 0.99 -1.30 1.61 7.64 -0.86 -5.13 113.62 113.46 2jmk n SER 14 Ca -0.21 -2.02 0.16 0.00 1.01 0.00 0.00 58.87 57.81 2jmk n SER 14 Cb 0.65 -0.17 -0.09 0.00 -1.01 0.00 0.00 64.21 63.60 2jmk n SER 14 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2jmk n HIS 15 N -0.46 -3.50 -2.22 1.43 -0.00 -1.26 -4.74 115.22 104.47 2jmk n HIS 15 Ca 0.04 1.93 -0.41 0.00 -0.00 0.00 0.00 57.72 59.28 2jmk n HIS 15 Cb 0.54 -3.18 -0.03 0.00 -0.00 0.00 0.00 29.99 27.32 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 -4.13 4.40 -0.21 -0.41 0.04 -1.26 -4.36 135.00 129.06 2jmk s PRO 16 Ca 0.00 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.11 2jmk s PRO 16 Cb 0.00 -3.19 0.04 0.00 0.04 0.00 0.00 34.50 31.40 2jmk s PRO 16 CO 0.00 -0.23 -0.12 0.99 0.04 0.00 0.00 177.00 177.69 2jmk s THR 17 N -0.03 1.83 -0.53 1.26 2.01 0.77 -4.97 115.64 115.98 2jmk s THR 17 Ca 0.55 -1.16 -0.25 0.00 0.31 0.00 0.00 61.69 61.15 2jmk s THR 17 Cb -0.36 -1.88 0.04 0.00 0.01 0.00 0.00 72.50 70.30 2jmk s THR 17 CO 0.39 0.17 0.97 -0.89 -0.69 0.00 0.00 174.62 174.57 2jmk s THR 18 N 1.31 4.36 -0.36 -0.82 2.01 -1.26 -1.38 115.64 119.50 2jmk s THR 18 Ca -0.02 0.48 -0.09 0.00 0.31 0.00 0.00 61.69 62.38 2jmk s THR 18 Cb -0.17 -4.54 0.04 0.00 0.01 0.00 0.00 72.50 67.84 2jmk s THR 18 CO -0.08 -1.08 0.16 -0.63 -0.69 0.00 0.00 174.62 172.30 2jmk s ILE 19 N 4.04 4.17 -0.26 1.82 1.01 0.54 -4.96 121.20 127.56 2jmk s ILE 19 Ca 0.34 -1.03 -0.25 0.00 0.00 0.00 0.00 60.65 59.71 2jmk s ILE 19 Cb -0.11 -3.36 -0.00 0.00 0.01 0.00 0.00 42.46 39.00 2jmk s ILE 19 CO 0.22 -0.22 0.86 0.00 0.00 0.00 0.00 174.94 175.80 2jmk s VAL 21 N 2.98 0.45 0.60 0.00 1.01 -0.39 -4.38 120.40 120.67 2jmk s VAL 21 Ca 0.36 -0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.03 2jmk s VAL 21 Cb -0.15 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 2jmk s VAL 21 CO 0.09 0.18 1.07 0.52 0.00 0.00 0.00 175.10 176.97 2jmk n VAL 22 N 3.75 3.96 -0.18 2.92 0.31 -1.26 -0.11 118.33 127.72 2jmk n VAL 22 Ca -0.23 -0.50 0.20 0.00 -0.01 0.00 0.00 64.34 63.80 2jmk n VAL 22 Cb 0.53 -1.27 0.56 0.00 -0.91 0.00 0.00 33.84 32.75 2jmk n VAL 22 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jmk h MET 23 N 0.61 0.29 -0.13 5.55 -0.00 -1.51 0.29 114.93 120.02 2jmk h MET 23 Ca -0.49 -0.02 -0.10 0.00 -0.00 0.00 0.00 59.70 59.10 2jmk h MET 23 Cb 1.35 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 32.87 2jmk h MET 23 CO 0.52 0.19 -0.35 0.38 -0.00 0.00 0.00 176.91 177.65 2jmk h ASP 24 N 0.30 0.27 -0.65 -0.10 3.04 -1.89 -2.53 116.42 114.86 2jmk h ASP 24 Ca 0.41 -0.10 0.00 0.00 -3.24 0.00 0.00 57.03 54.10 2jmk h ASP 24 Cb 1.14 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 39.35 2jmk h ASP 24 CO -0.11 0.61 0.00 0.54 -2.04 0.00 0.00 179.24 178.24 2jmk n ARG 25 N -4.08 3.14 0.18 4.15 5.12 0.86 -4.45 116.66 121.58 2jmk n ARG 25 Ca -0.01 -2.60 -0.13 0.00 -1.93 0.00 0.00 57.85 53.18 2jmk n ARG 25 Cb 0.44 -1.72 -0.08 0.00 -1.16 0.00 0.00 32.46 29.94 2jmk n ARG 25 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2jmk h PHE 26 N 3.94 -0.45 -0.55 -1.55 3.04 -0.67 -0.94 116.94 119.76 2jmk h PHE 26 Ca 0.00 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.01 2jmk h PHE 26 Cb 1.18 0.15 -0.06 0.00 2.56 0.00 0.00 35.95 39.78 2jmk h PHE 26 CO 0.61 -0.12 0.24 1.25 -2.02 0.00 0.00 178.31 178.27 2jmk h LEU 27 N -0.84 0.30 0.02 0.59 5.85 -1.78 -1.22 115.31 118.23 2jmk h LEU 27 Ca -0.05 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2jmk h LEU 27 Cb 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2jmk h LEU 27 CO 0.08 0.20 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.29 2jmk h GLU 28 N 0.46 -0.03 -0.54 1.25 4.22 -1.82 -0.66 114.58 117.47 2jmk h GLU 28 Ca 0.26 0.00 0.09 0.00 0.08 0.00 0.00 59.36 59.79 2jmk h GLU 28 Cb 0.24 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 2jmk h GLU 28 CO -0.22 0.02 0.15 0.77 -2.18 0.00 0.00 179.01 177.55 2jmk h SER 29 N -0.06 0.10 -0.62 1.04 0.02 -0.72 -1.00 113.55 112.31 2jmk h SER 29 Ca -0.00 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2jmk h SER 29 Cb 0.06 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 2jmk h SER 29 CO 0.00 0.07 0.24 0.15 -1.14 0.00 0.00 176.83 176.16 2jmk h PHE 30 N 0.31 0.94 -0.60 3.45 3.04 -1.03 0.78 116.94 123.83 2jmk h PHE 30 Ca 0.27 -0.07 0.04 0.00 3.98 0.00 0.00 57.97 62.18 2jmk h PHE 30 Cb 0.34 -0.28 -0.04 0.00 2.56 0.00 0.00 35.95 38.53 2jmk h PHE 30 CO -0.20 0.75 0.35 0.66 -2.02 0.00 0.00 178.31 177.85 2jmk h SER 31 N 0.86 0.55 0.71 0.41 4.64 -0.16 -1.03 113.55 119.53 2jmk h SER 31 Ca 0.21 0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.38 2jmk h SER 31 Cb 0.21 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2jmk h SER 31 CO -0.02 0.37 -0.73 -0.08 -0.87 0.00 0.00 176.83 175.50 2jmk h GLU 32 N 0.67 0.02 -0.37 4.77 4.57 -1.00 -3.24 114.58 120.01 2jmk h GLU 32 Ca 0.25 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.39 2jmk h GLU 32 Cb 0.08 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2jmk h GLU 32 CO -0.13 0.74 0.11 1.25 -1.18 0.00 0.00 179.01 179.81 2jmk h LEU 33 N 0.01 0.55 -2.73 1.64 7.12 -0.09 -1.20 115.31 120.61 2jmk h LEU 33 Ca -0.01 -0.21 0.00 0.00 0.13 0.00 0.00 57.88 57.80 2jmk h LEU 33 Cb 1.30 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 41.28 2jmk h LEU 33 CO 0.10 0.61 0.04 0.22 -0.13 0.00 0.00 178.44 179.28 2jmk h TYR 34 N 0.45 0.00 0.00 1.25 3.20 -1.24 0.25 116.97 120.89 2jmk h TYR 34 Ca 0.12 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2jmk h TYR 34 Cb 0.26 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.53 2jmk h TYR 34 CO 0.01 0.00 -0.34 -0.44 -1.64 0.00 0.00 178.16 175.75 2jmk h ASP 35 N 0.00 0.00 -0.89 -2.11 5.19 -1.47 -3.34 116.42 113.80 2jmk h ASP 35 Ca 0.01 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 56.47 2jmk h ASP 35 Cb 0.09 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.55 2jmk h ASP 35 CO -0.00 0.66 0.58 -0.29 -3.12 0.00 0.00 179.24 177.08 2jmk h ILE 36 N -0.99 1.10 -0.15 0.35 2.10 -1.09 -0.49 117.51 118.34 2jmk h ILE 36 Ca 0.00 -0.36 0.04 0.00 1.08 0.00 0.00 64.86 65.62 2jmk h ILE 36 Cb 0.34 -0.05 -0.01 0.00 -1.09 0.00 0.00 36.82 36.01 2jmk h ILE 36 CO 0.00 0.19 0.18 -0.29 -1.08 0.00 0.00 178.15 177.16 2jmk h ILE 37 N 1.05 0.42 -0.77 2.19 6.09 -0.69 0.87 117.51 126.68 2jmk h ILE 37 Ca 0.37 0.00 -0.38 0.00 -1.37 0.00 0.00 64.86 63.48 2jmk h ILE 37 Cb 0.13 0.85 -0.23 0.00 0.47 0.00 0.00 36.82 38.04 2jmk h ILE 37 CO -0.13 0.00 0.49 0.47 -3.07 0.00 0.00 178.15 175.91 2jmk n ASP 38 N -3.71 3.69 -4.32 2.19 9.92 -0.19 -4.92 116.55 119.21 2jmk n ASP 38 Ca 0.01 -3.24 -0.27 0.00 -0.53 0.00 0.00 54.79 50.76 2jmk n ASP 38 Cb 0.30 -0.76 -0.08 0.00 -0.64 0.00 0.00 41.12 39.93 2jmk n ASP 38 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2jmk s GLU 39 N -2.61 1.94 -0.24 -1.24 2.12 0.30 -5.07 118.70 113.90 2jmk s GLU 39 Ca 0.45 -2.18 0.11 0.00 0.36 0.00 0.00 54.97 53.72 2jmk s GLU 39 Cb 0.38 -0.88 0.45 0.00 0.26 0.00 0.00 34.13 34.34 2jmk s GLU 39 CO 0.09 -0.39 1.19 0.27 -0.54 0.00 0.00 175.26 175.87 2jmk n ASN 40 N -1.19 3.33 -4.24 -1.70 0.23 -1.26 -4.99 115.26 105.45 2jmk n ASN 40 Ca -0.08 -3.46 -0.39 0.00 -0.53 0.00 0.00 54.58 50.11 2jmk n ASN 40 Cb 0.66 -0.41 -0.10 0.00 -2.08 0.00 0.00 39.78 37.84 2jmk n ASN 40 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 2jmk s ASP 41 N -3.42 5.52 0.20 0.53 1.11 -1.26 -4.92 116.67 114.44 2jmk s ASP 41 Ca 0.43 -1.59 0.24 0.00 0.18 0.00 0.00 52.55 51.82 2jmk s ASP 41 Cb 0.39 -1.94 0.43 0.00 1.07 0.00 0.00 42.92 42.86 2jmk s ASP 41 CO -0.02 -0.52 1.45 0.74 1.18 0.00 0.00 175.17 178.00 2jmk h THR 42 N 6.15 0.00 0.09 -1.27 2.02 -2.00 -3.32 112.91 114.58 2jmk h THR 42 Ca -0.21 -0.63 -0.13 0.00 0.77 0.00 0.00 66.41 66.21 2jmk h THR 42 Cb 1.08 1.37 0.01 0.00 -1.74 0.00 0.00 68.15 68.86 2jmk h THR 42 CO 0.74 0.00 -0.59 -2.24 0.37 0.00 0.00 175.52 173.79 2jmk h ASP 43 N 0.00 0.29 0.02 4.18 2.03 -2.04 -3.28 116.42 117.63 2jmk h ASP 43 Ca 0.00 -0.95 0.00 0.00 -0.73 0.00 0.00 57.03 55.35 2jmk h ASP 43 Cb 0.81 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.22 2jmk h ASP 43 CO 0.00 1.28 0.00 1.62 -1.03 0.00 0.00 179.24 181.11 2jmk h VAL 44 N -0.60 0.00 -0.28 4.15 3.04 -1.99 -2.71 116.25 117.86 2jmk h VAL 44 Ca -0.11 -0.01 0.06 0.00 -1.01 0.00 0.00 66.70 65.63 2jmk h VAL 44 Cb 1.43 0.99 -0.06 0.00 -2.01 0.00 0.00 31.29 31.63 2jmk h VAL 44 CO 0.08 0.00 -0.14 0.24 -1.01 0.00 0.00 177.57 176.74 2jmk h MET 45 N 0.00 -0.10 -0.14 4.17 2.86 -1.66 -0.66 114.93 119.40 2jmk h MET 45 Ca 0.00 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 2jmk h MET 45 Cb 0.01 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.64 2jmk h MET 45 CO 0.00 -0.07 -0.23 1.98 1.06 0.00 0.00 176.91 179.66 2jmk h MET 46 N -0.10 -0.27 -0.41 1.72 -1.53 -1.68 0.26 114.93 112.91 2jmk h MET 46 Ca 0.15 0.02 0.08 0.00 -3.44 0.00 0.00 59.70 56.51 2jmk h MET 46 Cb 0.33 0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 31.42 2jmk h MET 46 CO -0.35 -0.18 0.29 0.22 0.14 0.00 0.00 176.91 177.03 2jmk h ASP 47 N -0.28 0.18 -0.01 1.39 1.82 -1.57 0.20 116.42 118.14 2jmk h ASP 47 Ca 0.11 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.72 2jmk h ASP 47 Cb 0.44 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.42 2jmk h ASP 47 CO -0.31 0.11 -0.11 0.15 -1.61 0.00 0.00 179.24 177.48 2jmk h PHE 48 N 0.20 0.13 -0.13 0.28 3.57 0.50 0.37 116.94 121.86 2jmk h PHE 48 Ca 0.19 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 2jmk h PHE 48 Cb 0.50 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 2jmk h PHE 48 CO -0.00 0.80 -0.20 0.82 -2.23 0.00 0.00 178.31 177.50 2jmk h ILE 49 N -0.57 1.21 0.00 1.41 2.04 -0.01 -0.57 117.51 121.02 2jmk h ILE 49 Ca -0.01 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 2jmk h ILE 49 Cb 0.82 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 2jmk h ILE 49 CO 0.02 0.29 -0.00 0.28 0.00 0.00 0.00 178.15 178.74 2jmk h SER 50 N 0.21 -0.00 -0.97 1.72 0.02 -0.67 0.25 113.55 114.10 2jmk h SER 50 Ca 0.04 -0.91 0.03 0.00 -0.84 0.00 0.00 61.79 60.10 2jmk h SER 50 Cb 0.47 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.96 2jmk h SER 50 CO 0.03 0.93 0.64 -0.09 -1.14 0.00 0.00 176.83 177.20 2jmk h ARG 51 N -0.96 1.22 0.00 3.45 9.65 -0.88 -3.25 114.38 123.62 2jmk h ARG 51 Ca -0.00 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.79 2jmk h ARG 51 Cb 0.92 -0.27 -0.00 0.00 -1.39 0.00 0.00 29.97 29.22 2jmk h ARG 51 CO 0.00 0.81 -0.26 0.74 2.80 0.00 0.00 179.97 184.06 2jmk h PHE 52 N 1.26 0.00 -3.49 2.20 -1.00 -1.21 -3.45 116.94 111.24 2jmk h PHE 52 Ca 0.38 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 60.56 2jmk h PHE 52 Cb -0.04 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 39.41 2jmk h PHE 52 CO -0.00 0.26 -0.13 0.00 -1.61 0.00 0.00 178.31 176.83 2jmk s ALA 53 N -2.54 3.55 -0.18 2.45 0.00 0.88 -4.90 121.76 121.03 2jmk s ALA 53 Ca -0.09 -0.49 -0.19 0.00 0.00 0.00 0.00 51.96 51.19 2jmk s ALA 53 Cb 0.01 -2.72 -0.16 0.00 0.00 0.00 0.00 23.12 20.25 2jmk s ALA 53 CO 0.21 -0.39 0.21 -0.09 0.00 0.00 0.00 175.76 175.70 2jmk h ARG 54 N 7.47 0.00 -6.48 0.00 2.43 -1.78 -3.33 114.38 112.69 2jmk h ARG 54 Ca -0.35 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.32 2jmk h ARG 54 Cb 1.16 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.61 2jmk h ARG 54 CO 0.72 0.73 -0.81 0.25 -1.51 0.00 0.00 179.97 179.35 2jmk n THR 55 N -4.52 -2.02 -0.11 0.20 -2.24 -1.26 -4.86 114.28 99.46 2jmk n THR 55 Ca -0.21 -0.13 -0.14 0.00 -2.27 0.00 0.00 64.05 61.30 2jmk n THR 55 Cb 0.52 -2.46 -0.13 0.00 -2.10 0.00 0.00 70.33 66.16 2jmk n THR 55 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jmk n ASP 56 N -2.81 1.38 -3.53 3.42 8.00 -1.26 -4.94 116.55 116.81 2jmk n ASP 56 Ca -0.03 -0.08 -0.14 0.00 0.71 0.00 0.00 54.79 55.25 2jmk n ASP 56 Cb 0.55 0.18 -0.12 0.00 -0.02 0.00 0.00 41.12 41.71 2jmk n ASP 56 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2jmk s GLU 57 N -2.47 0.21 0.15 -1.24 2.12 -1.26 -5.15 118.70 111.06 2jmk s GLU 57 Ca -0.23 0.50 0.09 0.00 0.36 0.00 0.00 54.97 55.68 2jmk s GLU 57 Cb 0.07 -0.58 -0.04 0.00 0.26 0.00 0.00 34.13 33.84 2jmk s GLU 57 CO 0.65 -0.51 -0.13 0.96 -0.54 0.00 0.00 175.26 175.69 2jmk s ILE 58 N 2.42 3.06 0.14 -3.70 -5.25 -1.26 -5.14 121.20 111.46 2jmk s ILE 58 Ca 0.06 -1.58 0.03 0.00 -0.99 0.00 0.00 60.65 58.17 2jmk s ILE 58 Cb -0.14 -2.47 -0.04 0.00 2.95 0.00 0.00 42.46 42.76 2jmk s ILE 58 CO -0.12 -0.02 -0.08 -0.04 -1.79 0.00 0.00 174.94 172.90 2jmk s MET 59 N -2.52 1.00 0.14 0.37 -1.94 -1.26 -5.06 119.30 110.03 2jmk s MET 59 Ca 0.22 -1.43 -0.11 0.00 -1.71 0.00 0.00 55.69 52.66 2jmk s MET 59 Cb -0.10 -0.46 -0.04 0.00 2.01 0.00 0.00 34.83 36.24 2jmk s MET 59 CO 0.13 0.02 1.47 -1.00 -0.01 0.00 0.00 175.02 175.63 2jmk h PRO 60 N 2.82 0.94 -0.84 2.03 0.13 -2.03 -3.05 132.00 132.00 2jmk h PRO 60 Ca -0.36 -0.50 0.22 0.00 -0.87 0.00 0.00 66.00 64.49 2jmk h PRO 60 Cb 1.18 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 2jmk h PRO 60 CO 0.64 1.16 0.58 0.93 -0.23 0.00 0.00 178.00 181.08 2jmk h GLU 61 N 0.77 0.17 -6.24 0.86 4.39 -1.97 -3.40 114.58 109.16 2jmk h GLU 61 Ca 0.06 -0.01 -0.59 0.00 0.34 0.00 0.00 59.36 59.16 2jmk h GLU 61 Cb 0.98 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.61 2jmk h GLU 61 CO 0.10 0.11 1.22 -0.25 -1.16 0.00 0.00 179.01 179.03 2jmk n ASP 62 N -4.39 3.55 -4.97 1.42 9.92 -1.16 -4.48 116.55 116.45 2jmk n ASP 62 Ca 0.17 0.80 -0.21 0.00 -0.53 0.00 0.00 54.79 55.03 2jmk n ASP 62 Cb 0.79 -1.44 0.04 0.00 -0.64 0.00 0.00 41.12 39.87 2jmk n ASP 62 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2jmk s LYS 63 N 4.69 2.55 -0.41 -1.24 2.20 0.47 -4.87 119.74 123.13 2jmk s LYS 63 Ca 0.94 -0.86 -0.14 0.00 -0.36 0.00 0.00 55.97 55.55 2jmk s LYS 63 Cb -0.58 -2.52 0.03 0.00 -1.51 0.00 0.00 37.83 33.26 2jmk s LYS 63 CO 0.46 -0.68 0.30 0.99 -0.36 0.00 0.00 175.35 176.06 2jmk s THR 64 N -2.72 5.07 -0.03 3.43 2.01 -1.26 -0.32 115.64 121.82 2jmk s THR 64 Ca 0.57 -0.81 0.22 0.00 0.31 0.00 0.00 61.69 61.98 2jmk s THR 64 Cb -0.10 -3.88 0.22 0.00 0.01 0.00 0.00 72.50 68.75 2jmk s THR 64 CO 0.38 -0.35 1.70 1.62 -0.69 0.00 0.00 174.62 177.28 2jmk h VAL 65 N 5.72 0.51 0.00 3.82 3.04 -0.77 -3.47 116.25 125.10 2jmk h VAL 65 Ca -0.27 -1.35 0.00 0.00 -1.01 0.00 0.00 66.70 64.07 2jmk h VAL 65 Cb 1.11 1.96 0.00 0.00 -2.01 0.00 0.00 31.29 32.35 2jmk h VAL 65 CO 0.75 0.24 0.00 0.61 -1.01 0.00 0.00 177.57 178.16 2jmk n GLY 66 N 0.57 1.60 3.10 3.17 0.00 -1.26 -1.36 105.19 111.01 2jmk n GLY 66 Ca 0.01 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 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 0.82 -0.15 1.61 -0.71 0.85 -1.24 117.98 117.17 2jmk s PHE 67 Ca 0.00 -0.53 -0.01 0.00 -1.04 0.00 0.00 56.93 55.35 2jmk s PHE 67 Cb 0.00 -0.48 0.04 0.00 -1.21 0.00 0.00 43.02 41.37 2jmk s PHE 67 CO 0.00 -0.05 -0.03 0.08 -1.34 0.00 0.00 175.22 173.87 2jmk s VAL 68 N -1.58 0.88 -0.24 -2.49 1.01 -0.28 -1.08 120.40 116.62 2jmk s VAL 68 Ca -0.06 -0.45 -0.20 0.00 0.00 0.00 0.00 61.98 61.27 2jmk s VAL 68 Cb -0.09 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 2jmk s VAL 68 CO 0.00 0.13 0.60 -0.69 0.00 0.00 0.00 175.10 175.14 2jmk s VAL 69 N 1.73 5.02 -0.13 2.92 1.01 0.85 -0.28 120.40 131.52 2jmk s VAL 69 Ca 0.02 1.07 -0.01 0.00 0.00 0.00 0.00 61.98 63.05 2jmk s VAL 69 Cb -0.15 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.37 2jmk s VAL 69 CO -0.07 0.06 -0.01 -0.69 0.00 0.00 0.00 175.10 174.38 2jmk s VAL 70 N 2.33 0.69 -0.10 2.92 1.01 0.91 -0.66 120.40 127.49 2jmk s VAL 70 Ca 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 2jmk s VAL 70 Cb -0.16 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.32 2jmk s VAL 70 CO 0.09 0.11 -0.05 0.20 0.00 0.00 0.00 175.10 175.45 2jmk s ASN 71 N 1.82 2.04 0.04 3.32 0.02 -0.45 -0.43 114.94 121.31 2jmk s ASN 71 Ca 0.02 -0.26 -0.15 0.00 -1.02 0.00 0.00 52.86 51.45 2jmk s ASN 71 Cb -0.14 -0.72 -0.32 0.00 0.02 0.00 0.00 41.25 40.08 2jmk s ASN 71 CO -0.07 -0.15 1.06 0.00 0.02 0.00 0.00 177.10 177.96 2jmk h ALA 72 N 8.22 -0.08 -0.23 0.60 0.00 -1.19 0.33 119.26 126.92 2jmk h ALA 72 Ca -0.26 -0.82 0.06 0.00 0.00 0.00 0.00 54.91 53.89 2jmk h ALA 72 Cb 1.13 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 2jmk h ALA 72 CO 0.36 0.71 -0.22 0.22 0.00 0.00 0.00 179.25 180.32 2jmk h ASP 73 N 0.21 -0.69 0.41 0.00 3.58 -1.74 -2.20 116.42 115.99 2jmk h ASP 73 Ca -0.22 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2jmk h ASP 73 Cb 2.05 0.33 0.00 0.00 1.72 0.00 0.00 39.33 43.43 2jmk h ASP 73 CO 0.26 -0.26 -0.77 0.29 -2.88 0.00 0.00 179.24 175.88 2jmk n LYS 74 N -5.36 0.11 -3.01 0.28 5.02 -1.25 -4.99 118.16 108.96 2jmk n LYS 74 Ca -0.01 0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 2jmk n LYS 74 Cb 0.27 -1.54 0.06 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.69 -2.98 -5.07 1.97 5.02 0.85 -5.01 118.16 111.25 2jmk n LYS 75 Ca 0.04 0.71 -0.32 0.00 -2.02 0.00 0.00 58.31 56.72 2jmk n LYS 75 Cb 0.37 -5.13 -0.14 0.00 -0.02 0.00 0.00 35.03 30.11 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 -5.16 2.43 -0.07 -0.35 1.43 0.57 -4.13 118.68 113.41 2jmk s LEU 76 Ca 0.26 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 2jmk s LEU 76 Cb -0.03 -1.47 0.03 0.00 0.03 0.00 0.00 46.19 44.75 2jmk s LEU 76 CO 0.60 0.32 -0.02 -0.32 0.23 0.00 0.00 176.35 177.16 2jmk s MET 77 N -0.57 0.78 -0.04 1.70 1.75 0.71 -1.34 119.30 122.29 2jmk s MET 77 Ca 0.08 0.01 -0.01 0.00 -1.25 0.00 0.00 55.69 54.52 2jmk s MET 77 Cb -0.11 -1.01 0.03 0.00 2.84 0.00 0.00 34.83 36.58 2jmk s MET 77 CO 0.01 -0.24 0.07 -1.12 -0.65 0.00 0.00 175.02 173.09 2jmk s SER 78 N 1.66 -0.00 -0.12 1.11 0.01 0.16 -0.68 113.70 115.84 2jmk s SER 78 Ca 0.01 0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.41 2jmk s SER 78 Cb -0.13 0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.15 2jmk s SER 78 CO -0.04 -0.13 -0.12 0.68 0.41 0.00 0.00 173.24 174.04 2jmk s VAL 79 N 1.03 1.33 -0.31 3.43 -7.23 0.79 -0.11 120.40 119.33 2jmk s VAL 79 Ca -0.08 -0.50 -0.02 0.00 -1.81 0.00 0.00 61.98 59.56 2jmk s VAL 79 Cb -0.12 -1.26 0.11 0.00 0.56 0.00 0.00 36.38 35.67 2jmk s VAL 79 CO -0.04 0.41 0.15 -0.55 -0.31 0.00 0.00 175.10 174.77 2jmk s SER 80 N 1.38 3.47 0.00 4.85 0.15 -0.24 -0.36 113.70 122.94 2jmk s SER 80 Ca 0.01 -1.62 -0.15 0.00 0.70 0.00 0.00 55.95 54.89 2jmk s SER 80 Cb -0.13 -0.46 0.02 0.00 -1.71 0.00 0.00 66.02 63.74 2jmk s SER 80 CO -0.07 -0.40 0.31 0.72 1.20 0.00 0.00 173.24 175.01 2jmk s PHE 81 N 1.70 -0.16 0.00 3.44 -0.71 -1.26 -0.10 117.98 120.88 2jmk s PHE 81 Ca 0.12 0.20 0.00 0.00 -1.04 0.00 0.00 56.93 56.20 2jmk s PHE 81 Cb -0.18 0.10 0.00 0.00 -1.21 0.00 0.00 43.02 41.73 2jmk s PHE 81 CO -0.24 -0.42 0.00 0.45 -1.34 0.00 0.00 175.22 173.67 2jmk n SER 82 N 1.09 1.48 -3.00 1.98 2.88 -0.47 -4.90 113.62 112.69 2jmk n SER 82 Ca -0.21 -1.00 -0.14 0.00 -1.33 0.00 0.00 58.87 56.20 2jmk n SER 82 Cb 0.57 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.10 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 -1.52 -2.33 -4.03 -3.46 8.00 -1.26 -4.87 116.55 107.08 2jmk n ASP 83 Ca 0.00 -0.52 -0.08 0.00 0.71 0.00 0.00 54.79 54.90 2jmk n ASP 83 Cb 0.00 -4.33 -0.11 0.00 -0.02 0.00 0.00 41.12 36.67 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 -3.30 0.17 0.83 0.53 -4.36 -1.26 -5.06 121.20 108.75 2jmk s ILE 84 Ca 0.03 -1.34 -0.13 0.00 -0.26 0.00 0.00 60.65 58.94 2jmk s ILE 84 Cb -0.00 -0.87 0.06 0.00 1.25 0.00 0.00 42.46 42.90 2jmk s ILE 84 CO 0.60 -0.74 0.94 0.47 0.24 0.00 0.00 174.94 176.46 2jmk n ASP 85 N 0.88 0.05 -0.03 4.36 8.00 -1.26 -4.93 116.55 123.62 2jmk n ASP 85 Ca -0.19 0.53 -0.17 0.00 0.71 0.00 0.00 54.79 55.67 2jmk n ASP 85 Cb 0.58 -1.40 -0.06 0.00 -0.02 0.00 0.00 41.12 40.21 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 -1.01 0.79 0.00 -1.24 4.11 -2.02 -3.14 114.58 112.08 2jmk h GLU 86 Ca -0.45 -0.63 -0.09 0.00 0.07 0.00 0.00 59.36 58.26 2jmk h GLU 86 Cb 1.30 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 2jmk h GLU 86 CO 0.43 1.24 -0.41 -0.97 0.07 0.00 0.00 179.01 179.37 2jmk h ASN 87 N 0.55 0.00 0.11 3.06 -1.24 -2.03 -2.88 115.58 113.15 2jmk h ASN 87 Ca -0.04 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.93 2jmk h ASN 87 Cb 1.38 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.42 2jmk h ASN 87 CO 0.16 0.41 -0.14 -0.03 -1.29 0.00 0.00 177.43 176.53 2jmk h MET 88 N 0.00 0.09 -0.69 6.67 4.05 -1.91 -2.35 114.93 120.79 2jmk h MET 88 Ca -0.00 -0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.48 2jmk h MET 88 Cb 0.86 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.60 2jmk h MET 88 CO 0.05 0.24 0.46 0.87 0.23 0.00 0.00 176.91 178.76 2jmk h LYS 89 N 0.09 0.62 0.30 0.39 1.57 -1.54 -1.04 116.57 116.97 2jmk h LYS 89 Ca 0.02 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2jmk h LYS 89 Cb 0.32 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 2jmk h LYS 89 CO 0.02 0.41 -0.19 -0.22 -0.57 0.00 0.00 179.45 178.91 2jmk h LYS 90 N 0.64 -0.46 0.44 3.15 3.11 -1.58 0.24 116.57 122.11 2jmk h LYS 90 Ca 0.31 0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 58.16 2jmk h LYS 90 Cb 0.37 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.70 2jmk h LYS 90 CO -0.10 -0.30 -0.21 0.28 -2.81 0.00 0.00 179.45 176.30 2jmk h VAL 91 N -0.47 0.55 -0.37 2.00 2.07 -1.54 -0.83 116.25 117.66 2jmk h VAL 91 Ca -0.03 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.31 2jmk h VAL 91 Cb 0.39 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 2jmk h VAL 91 CO 0.03 0.05 -0.10 0.40 0.02 0.00 0.00 177.57 177.97 2jmk h ILE 92 N -0.74 0.62 -0.34 4.57 2.04 -1.20 -0.99 117.51 121.47 2jmk h ILE 92 Ca -0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.83 2jmk h ILE 92 Cb 0.53 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 2jmk h ILE 92 CO 0.10 0.00 0.16 0.50 0.00 0.00 0.00 178.15 178.91 2jmk h LYS 93 N -0.01 0.33 -0.28 2.37 3.64 -0.49 -1.22 116.57 120.91 2jmk h LYS 93 Ca 0.18 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.60 2jmk h LYS 93 Cb 0.28 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 2jmk h LYS 93 CO -0.38 0.22 -0.08 0.00 -2.27 0.00 0.00 179.45 176.93 2jmk h ALA 94 N 1.18 0.18 0.09 5.00 0.00 -0.36 0.25 119.26 125.60 2jmk h ALA 94 Ca 0.14 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2jmk h ALA 94 Cb 0.06 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2jmk h ALA 94 CO -0.11 -0.47 -0.07 1.15 0.00 0.00 0.00 179.25 179.75 2jmk h THR 95 N -0.01 0.84 0.00 0.00 2.02 -0.90 -0.14 112.91 114.72 2jmk h THR 95 Ca 0.14 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 2jmk h THR 95 Cb 0.22 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 2jmk h THR 95 CO -0.30 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.53 2jmk h ALA 96 N 0.74 1.75 -0.05 6.16 0.00 -0.86 -2.20 119.26 124.81 2jmk h ALA 96 Ca -0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 2jmk h ALA 96 Cb 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jmk h ALA 96 CO -0.01 0.08 -0.93 1.49 0.00 0.00 0.00 179.25 179.88 2jmk h GLU 97 N 0.00 0.66 -0.50 0.00 4.81 0.19 -3.15 114.58 116.58 2jmk h GLU 97 Ca -0.00 -0.64 0.15 0.00 -0.13 0.00 0.00 59.36 58.73 2jmk h GLU 97 Cb 0.12 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2jmk h GLU 97 CO 0.01 1.24 0.40 -0.22 -0.73 0.00 0.00 179.01 179.71 2jmk h LYS 98 N 0.40 0.00 -0.09 1.92 3.64 -0.39 0.16 116.57 122.22 2jmk h LYS 98 Ca -0.09 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2jmk h LYS 98 Cb 1.57 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.38 2jmk h LYS 98 CO 0.18 0.00 0.14 0.74 -2.27 0.00 0.00 179.45 178.24 2jmk h PHE 99 N 0.00 0.00 -0.92 1.91 -1.00 -1.53 -1.55 116.94 113.85 2jmk h PHE 99 Ca 0.24 0.00 0.26 0.00 2.81 0.00 0.00 57.97 61.28 2jmk h PHE 99 Cb 1.04 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.56 2jmk h PHE 99 CO 0.00 0.00 0.65 -0.22 -1.61 0.00 0.00 178.31 177.13 2jmk h LYS 100 N 0.00 0.05 -0.84 1.51 3.64 -0.70 0.30 116.57 120.54 2jmk h LYS 100 Ca 0.04 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.54 2jmk h LYS 100 Cb 0.32 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.07 2jmk h LYS 100 CO -0.00 0.03 0.54 -0.91 -2.27 0.00 0.00 179.45 176.85 2jmk h ASN 101 N 0.05 0.63 0.00 4.20 2.35 -1.49 -2.54 115.58 118.78 2jmk h ASN 101 Ca 0.44 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 56.19 2jmk h ASN 101 Cb 1.68 -0.10 -0.08 0.00 0.05 0.00 0.00 38.32 39.88 2jmk h ASN 101 CO -0.03 0.34 -0.48 0.29 -1.65 0.00 0.00 177.43 175.90 2jmk n LYS 102 N -4.53 0.95 0.00 0.81 4.76 0.62 -4.93 118.16 115.84 2jmk n LYS 102 Ca 0.15 -2.51 0.00 0.00 -2.87 0.00 0.00 58.31 53.09 2jmk n LYS 102 Cb 0.42 -1.09 0.00 0.00 -1.84 0.00 0.00 35.03 32.52 2jmk n LYS 102 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jmk n GLY 103 N -0.71 -1.84 0.45 0.72 0.00 0.74 -4.85 105.19 99.70 2jmk n GLY 103 Ca 0.13 0.98 0.27 0.00 0.00 0.00 0.00 46.02 47.40 2jmk n GLY 103 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2jmk h PHE 104 N 0.00 0.04 -0.84 1.61 -5.15 -1.78 -3.26 116.94 107.57 2jmk h PHE 104 Ca 0.00 0.00 -0.22 0.00 -0.20 0.00 0.00 57.97 57.55 2jmk h PHE 104 Cb 0.00 -0.01 -0.02 0.00 0.22 0.00 0.00 35.95 36.14 2jmk h PHE 104 CO 0.00 0.01 0.64 0.21 -2.00 0.00 0.00 178.31 177.17 2jmk s LYS 105 N -5.01 2.08 -0.07 6.09 2.47 -1.26 -4.87 119.74 119.16 2jmk s LYS 105 Ca -0.05 0.41 0.00 0.00 -1.56 0.00 0.00 55.97 54.77 2jmk s LYS 105 Cb 0.21 -4.79 0.02 0.00 -1.46 0.00 0.00 37.83 31.81 2jmk s LYS 105 CO 0.77 -3.76 -0.05 0.08 0.16 0.00 0.00 175.35 172.55 2jmk s VAL 106 N 12.34 0.70 -0.01 4.02 1.01 -1.25 -0.21 120.40 137.00 2jmk s VAL 106 Ca 0.84 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.67 2jmk s VAL 106 Cb -0.12 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.54 2jmk s VAL 106 CO 0.09 0.28 -0.04 -0.70 0.00 0.00 0.00 175.10 174.74 2jmk s GLU 107 N 1.26 0.36 0.02 2.72 2.12 0.14 -5.00 118.70 120.33 2jmk s GLU 107 Ca -0.05 -0.12 0.03 0.00 0.36 0.00 0.00 54.97 55.19 2jmk s GLU 107 Cb -0.14 -0.38 -0.02 0.00 0.26 0.00 0.00 34.13 33.86 2jmk s GLU 107 CO -0.02 0.05 -0.09 0.95 -0.54 0.00 0.00 175.26 175.61 2jmk s THR 108 N 0.11 0.68 -0.26 -1.70 -4.23 -1.26 -0.15 115.64 108.82 2jmk s THR 108 Ca -0.01 -0.71 -0.26 0.00 -1.18 0.00 0.00 61.69 59.53 2jmk s THR 108 Cb -0.04 -0.64 0.00 0.00 1.34 0.00 0.00 72.50 73.17 2jmk s THR 108 CO -0.00 -0.05 0.90 -0.62 -0.54 0.00 0.00 174.62 174.31 2jmk s ASP 109 N -0.84 6.87 0.00 3.99 2.15 0.51 -4.96 116.67 124.38 2jmk s ASP 109 Ca -0.02 1.03 0.17 0.00 0.43 0.00 0.00 52.55 54.17 2jmk s ASP 109 Cb -0.06 -2.47 1.03 0.00 -0.30 0.00 0.00 42.92 41.12 2jmk s ASP 109 CO 0.00 -0.62 1.43 0.80 -0.17 0.00 0.00 175.17 176.61