#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 5.32 -0.39 3.17 2.01 -1.26 -5.05 115.64 119.45 2jmk s THR 2 Ca 0.00 0.17 -0.11 0.00 0.31 0.00 0.00 61.69 62.06 2jmk s THR 2 Cb 0.00 -3.51 0.03 0.00 0.01 0.00 0.00 72.50 69.03 2jmk s THR 2 CO 0.00 0.29 0.23 -0.76 -0.69 0.00 0.00 174.62 173.69 2jmk s LEU 3 N 1.44 4.84 0.19 4.42 1.02 -1.26 -0.96 118.68 128.36 2jmk s LEU 3 Ca 0.07 -1.05 0.06 0.00 0.02 0.00 0.00 54.13 53.23 2jmk s LEU 3 Cb -0.15 -2.04 -0.04 0.00 0.02 0.00 0.00 46.19 43.98 2jmk s LEU 3 CO 0.08 -0.42 0.11 0.00 0.02 0.00 0.00 176.35 176.14 2jmk s ALA 5 N -1.84 1.94 -0.35 0.00 0.00 0.88 -0.45 121.76 121.94 2jmk s ALA 5 Ca 0.31 -1.27 -0.08 0.00 0.00 0.00 0.00 51.96 50.92 2jmk s ALA 5 Cb -0.09 -0.29 0.03 0.00 0.00 0.00 0.00 23.12 22.77 2jmk s ALA 5 CO 0.22 0.41 0.13 -1.64 0.00 0.00 0.00 175.76 174.89 2jmk s MET 6 N -1.82 2.71 -0.42 0.00 -1.94 -0.30 -1.02 119.30 116.51 2jmk s MET 6 Ca 0.08 -1.13 -0.11 0.00 -1.71 0.00 0.00 55.69 52.82 2jmk s MET 6 Cb -0.10 -3.53 0.06 0.00 2.01 0.00 0.00 34.83 33.27 2jmk s MET 6 CO 0.04 -0.66 0.27 -0.47 -0.01 0.00 0.00 175.02 174.19 2jmk s TYR 7 N 1.45 3.29 -0.27 -0.03 6.14 -0.13 -1.19 117.35 126.62 2jmk s TYR 7 Ca -0.00 -1.26 -0.19 0.00 0.64 0.00 0.00 57.07 56.25 2jmk s TYR 7 Cb -0.19 -2.86 -0.02 0.00 0.42 0.00 0.00 41.96 39.31 2jmk s TYR 7 CO 0.04 -0.79 0.57 1.21 0.64 0.00 0.00 175.55 177.23 2jmk s ASN 8 N 2.06 6.49 -0.12 4.32 3.84 0.60 -0.14 114.94 132.00 2jmk s ASN 8 Ca 0.03 0.56 0.01 0.00 0.21 0.00 0.00 52.86 53.67 2jmk s ASN 8 Cb -0.22 -2.31 0.02 0.00 -0.55 0.00 0.00 41.25 38.19 2jmk s ASN 8 CO 0.04 -0.35 -0.14 -0.51 -2.79 0.00 0.00 177.10 173.35 2jmk s ILE 9 N 2.43 1.47 -0.33 -5.21 2.07 -0.48 -0.16 121.20 120.99 2jmk s ILE 9 Ca 0.24 -0.60 -0.01 0.00 -1.41 0.00 0.00 60.65 58.86 2jmk s ILE 9 Cb -0.15 -1.36 0.11 0.00 0.13 0.00 0.00 42.46 41.18 2jmk s ILE 9 CO 0.09 0.44 0.13 -0.44 -1.91 0.00 0.00 174.94 173.25 2jmk s SER 10 N 1.19 3.78 1.18 4.50 0.01 0.32 -0.11 113.70 124.57 2jmk s SER 10 Ca -0.02 -1.75 -0.18 0.00 1.31 0.00 0.00 55.95 55.31 2jmk s SER 10 Cb -0.14 -0.74 0.22 0.00 0.21 0.00 0.00 66.02 65.57 2jmk s SER 10 CO -0.05 -0.39 0.44 0.80 0.41 0.00 0.00 173.24 174.45 2jmk n MET 11 N 4.68 -2.63 0.06 12.44 1.56 -1.26 -0.11 117.12 131.86 2jmk n MET 11 Ca -0.00 -0.76 -0.08 0.00 -0.27 0.00 0.00 57.70 56.59 2jmk n MET 11 Cb 0.41 -1.77 -0.05 0.00 2.15 0.00 0.00 33.22 33.96 2jmk n MET 11 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2jmk h ALA 12 N -2.67 -0.79 -1.87 -5.12 0.00 -1.95 -3.24 119.26 103.62 2jmk h ALA 12 Ca -0.46 -0.06 -0.71 0.00 0.00 0.00 0.00 54.91 53.68 2jmk h ALA 12 Cb 1.21 0.65 -0.34 0.00 0.00 0.00 0.00 17.79 19.30 2jmk h ALA 12 CO 0.32 -0.84 0.24 0.41 0.00 0.00 0.00 179.25 179.38 2jmk n GLY 13 N -1.24 5.48 3.51 0.00 0.00 -1.26 -4.23 105.19 107.46 2jmk n GLY 13 Ca -0.04 -2.70 -0.16 0.00 0.00 0.00 0.00 46.02 43.12 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 -2.20 -0.62 0.81 1.61 0.01 -1.22 -5.17 113.70 106.92 2jmk s SER 14 Ca 0.39 0.59 -0.11 0.00 1.31 0.00 0.00 55.95 58.13 2jmk s SER 14 Cb 0.16 0.53 0.08 0.00 0.21 0.00 0.00 66.02 67.01 2jmk s SER 14 CO -0.04 -0.64 1.10 -1.00 0.41 0.00 0.00 173.24 173.07 2jmk s HIS 15 N -1.58 2.39 0.22 2.43 0.09 -1.26 -4.19 115.29 113.39 2jmk s HIS 15 Ca -0.08 1.55 -0.30 0.00 -0.00 0.00 0.00 55.06 56.22 2jmk s HIS 15 Cb -0.00 -3.11 -0.09 0.00 -0.00 0.00 0.00 32.58 29.38 2jmk s HIS 15 CO 0.06 -2.05 1.29 -1.25 -0.00 0.00 0.00 174.74 172.78 2jmk s PRO 16 N -4.87 4.41 -0.17 8.40 0.04 -1.26 -4.54 135.00 137.01 2jmk s PRO 16 Ca 0.62 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.72 2jmk s PRO 16 Cb -0.18 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.19 2jmk s PRO 16 CO 0.57 -0.20 -0.17 0.99 0.04 0.00 0.00 177.00 178.22 2jmk s THR 17 N -0.17 2.34 -0.52 1.26 2.01 0.84 -4.95 115.64 116.46 2jmk s THR 17 Ca 0.54 -0.86 -0.23 0.00 0.31 0.00 0.00 61.69 61.45 2jmk s THR 17 Cb -0.36 -1.99 0.04 0.00 0.01 0.00 0.00 72.50 70.20 2jmk s THR 17 CO 0.40 0.52 0.86 -0.89 -0.69 0.00 0.00 174.62 174.82 2jmk s THR 18 N 1.13 4.52 -0.46 -0.82 2.01 -1.26 -1.38 115.64 119.38 2jmk s THR 18 Ca 0.01 0.19 -0.13 0.00 0.31 0.00 0.00 61.69 62.07 2jmk s THR 18 Cb -0.14 -4.45 0.08 0.00 0.01 0.00 0.00 72.50 68.00 2jmk s THR 18 CO -0.07 -0.98 0.36 -0.63 -0.69 0.00 0.00 174.62 172.61 2jmk s ILE 19 N 3.59 4.82 -0.36 1.82 1.01 0.79 -4.93 121.20 127.95 2jmk s ILE 19 Ca 0.28 -1.28 -0.28 0.00 0.00 0.00 0.00 60.65 59.37 2jmk s ILE 19 Cb -0.13 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.41 2jmk s ILE 19 CO 0.19 -0.60 1.04 0.00 0.00 0.00 0.00 174.94 175.56 2jmk s VAL 21 N 3.71 1.02 0.80 0.00 1.01 -0.18 -4.33 120.40 122.43 2jmk s VAL 21 Ca 0.44 -0.45 -0.14 0.00 0.00 0.00 0.00 61.98 61.83 2jmk s VAL 21 Cb -0.11 -0.93 0.05 0.00 0.00 0.00 0.00 36.38 35.39 2jmk s VAL 21 CO 0.19 0.32 0.97 1.33 0.00 0.00 0.00 175.10 177.91 2jmk n VAL 22 N 3.59 1.82 0.32 2.92 0.24 -1.26 -0.08 118.33 125.87 2jmk n VAL 22 Ca -0.21 -0.25 0.19 0.00 -2.04 0.00 0.00 64.34 62.02 2jmk n VAL 22 Cb 0.52 -1.04 1.05 0.00 -1.47 0.00 0.00 33.84 32.90 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 -0.83 0.00 0.00 7.34 -0.00 -1.48 -0.08 114.93 119.88 2jmk h MET 23 Ca -0.46 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.15 2jmk h MET 23 Cb 1.31 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.90 2jmk h MET 23 CO 0.44 0.01 -0.45 -0.44 -0.00 0.00 0.00 176.91 176.47 2jmk h ASP 24 N 0.00 0.00 -0.28 -0.10 3.32 -1.89 -3.10 116.42 114.37 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 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2jmk h ASP 24 CO 0.00 0.45 0.00 0.54 -1.72 0.00 0.00 179.24 178.51 2jmk n ARG 25 N -3.44 2.97 0.30 3.56 3.00 -0.12 -4.68 116.66 118.25 2jmk n ARG 25 Ca 0.00 -2.73 -0.16 0.00 -0.01 0.00 0.00 57.85 54.96 2jmk n ARG 25 Cb 0.59 -1.76 -0.08 0.00 0.00 0.00 0.00 32.46 31.21 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 1.90 -0.69 -0.16 -1.55 3.04 -1.27 -1.07 116.94 117.13 2jmk h PHE 26 Ca 0.00 -0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.95 2jmk h PHE 26 Cb 1.34 0.23 -0.02 0.00 2.56 0.00 0.00 35.95 40.07 2jmk h PHE 26 CO 0.47 -0.38 0.05 1.25 -2.02 0.00 0.00 178.31 177.68 2jmk h LEU 27 N -0.89 0.06 -0.28 0.59 6.46 -1.83 -1.33 115.31 118.10 2jmk h LEU 27 Ca -0.08 0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.76 2jmk h LEU 27 Cb 0.62 0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.50 2jmk h LEU 27 CO 0.13 0.06 -0.14 -0.08 -0.62 0.00 0.00 178.44 177.79 2jmk h GLU 28 N 0.13 -0.10 -0.34 1.25 4.57 -1.85 0.26 114.58 118.50 2jmk h GLU 28 Ca 0.07 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.29 2jmk h GLU 28 Cb 0.04 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 2jmk h GLU 28 CO -0.07 -0.06 0.15 0.66 -1.18 0.00 0.00 179.01 178.50 2jmk h SER 29 N -0.10 0.19 -0.72 1.04 4.64 -0.94 -1.31 113.55 116.35 2jmk h SER 29 Ca 0.15 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 2jmk h SER 29 Cb 0.32 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 2jmk h SER 29 CO -0.34 0.15 0.41 0.15 -0.87 0.00 0.00 176.83 176.32 2jmk h PHE 30 N 0.31 0.97 0.07 4.77 3.04 -0.57 0.20 116.94 125.73 2jmk h PHE 30 Ca 0.15 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.08 2jmk h PHE 30 Cb 0.09 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.28 2jmk h PHE 30 CO -0.12 0.68 -0.08 1.03 -2.02 0.00 0.00 178.31 177.80 2jmk h SER 31 N 0.98 -0.20 -0.04 0.41 0.87 -0.01 -0.82 113.55 114.74 2jmk h SER 31 Ca 0.25 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.77 2jmk h SER 31 Cb 0.02 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2jmk h SER 31 CO -0.04 -0.12 -0.15 -0.08 -0.53 0.00 0.00 176.83 175.91 2jmk h GLU 32 N -0.17 0.36 -0.50 2.24 4.57 -1.08 -2.84 114.58 117.17 2jmk h GLU 32 Ca 0.01 -0.10 -0.05 0.00 -1.18 0.00 0.00 59.36 58.04 2jmk h GLU 32 Cb 0.17 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 2jmk h GLU 32 CO -0.03 0.51 0.13 1.25 -1.18 0.00 0.00 179.01 179.69 2jmk h LEU 33 N 0.34 0.75 -2.62 1.64 7.12 -0.46 -1.18 115.31 120.90 2jmk h LEU 33 Ca 0.06 -0.23 -0.00 0.00 0.13 0.00 0.00 57.88 57.84 2jmk h LEU 33 Cb 0.46 -0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 40.40 2jmk h LEU 33 CO 0.03 0.78 -0.01 0.22 -0.13 0.00 0.00 178.44 179.33 2jmk h TYR 34 N 0.68 0.00 0.00 1.25 3.20 -0.91 0.19 116.97 121.38 2jmk h TYR 34 Ca 0.16 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 2jmk h TYR 34 Cb 0.32 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2jmk h TYR 34 CO 0.02 0.01 -0.44 -0.44 -1.64 0.00 0.00 178.16 175.67 2jmk h ASP 35 N 0.00 0.00 -0.80 -2.11 5.19 -1.34 -3.31 116.42 114.05 2jmk h ASP 35 Ca -0.00 -0.16 0.01 0.00 -0.62 0.00 0.00 57.03 56.26 2jmk h ASP 35 Cb 0.08 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.55 2jmk h ASP 35 CO 0.00 0.82 0.53 -0.29 -3.12 0.00 0.00 179.24 177.17 2jmk h ILE 36 N -1.00 1.19 -0.06 0.35 2.10 -1.12 -1.32 117.51 117.66 2jmk h ILE 36 Ca -0.05 -0.37 0.02 0.00 1.08 0.00 0.00 64.86 65.54 2jmk h ILE 36 Cb 0.53 0.04 -0.00 0.00 -1.09 0.00 0.00 36.82 36.29 2jmk h ILE 36 CO -0.03 0.19 0.05 -0.29 -1.08 0.00 0.00 178.15 176.99 2jmk h ILE 37 N 1.07 0.82 0.00 2.19 6.09 -0.81 -0.06 117.51 126.82 2jmk h ILE 37 Ca 0.29 0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 63.72 2jmk h ILE 37 Cb -0.10 0.96 -0.01 0.00 0.47 0.00 0.00 36.82 38.14 2jmk h ILE 37 CO -0.07 0.00 -0.28 -0.78 -3.07 0.00 0.00 178.15 173.95 2jmk h ASP 38 N 0.00 0.00 -4.70 2.19 1.82 -1.33 -3.44 116.42 110.96 2jmk h ASP 38 Ca 0.03 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.44 2jmk h ASP 38 Cb 0.13 0.00 0.03 0.00 0.68 0.00 0.00 39.33 40.17 2jmk h ASP 38 CO -0.00 0.28 0.02 -0.62 -1.61 0.00 0.00 179.24 177.32 2jmk n GLU 39 N -3.61 0.46 -0.94 0.28 -0.58 -0.04 -5.05 120.64 111.16 2jmk n GLU 39 Ca -0.01 -1.41 0.05 0.00 -0.42 0.00 0.00 57.16 55.38 2jmk n GLU 39 Cb 0.41 -0.25 0.13 0.00 -0.57 0.00 0.00 31.44 31.16 2jmk n GLU 39 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2jmk n ASN 40 N -2.85 1.41 -4.56 1.62 5.15 -1.26 -5.01 115.26 109.77 2jmk n ASN 40 Ca 0.08 -3.10 -0.41 0.00 -0.60 0.00 0.00 54.58 50.56 2jmk n ASN 40 Cb 0.29 -0.43 -0.03 0.00 -0.53 0.00 0.00 39.78 39.08 2jmk n ASN 40 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2jmk s ASP 41 N -2.70 6.04 0.13 1.20 1.01 -1.26 -4.82 116.67 116.27 2jmk s ASP 41 Ca 0.36 -0.19 0.14 0.00 0.71 0.00 0.00 52.55 53.56 2jmk s ASP 41 Cb 0.37 -2.55 -0.10 0.00 1.01 0.00 0.00 42.92 41.65 2jmk s ASP 41 CO -0.11 -1.88 1.09 0.74 0.21 0.00 0.00 175.17 175.22 2jmk h THR 42 N 6.22 0.88 0.00 -1.27 2.02 -1.99 -3.20 112.91 115.57 2jmk h THR 42 Ca -0.27 -2.42 -0.07 0.00 0.77 0.00 0.00 66.41 64.42 2jmk h THR 42 Cb 1.07 2.36 -0.01 0.00 -1.74 0.00 0.00 68.15 69.83 2jmk h THR 42 CO 1.25 0.50 -0.32 0.44 0.37 0.00 0.00 175.52 177.77 2jmk h ASP 43 N 0.00 0.00 1.26 4.18 3.32 -2.04 -2.97 116.42 120.16 2jmk h ASP 43 Ca -0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2jmk h ASP 43 Cb 1.61 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.16 2jmk h ASP 43 CO 0.07 0.32 -0.68 0.58 -1.72 0.00 0.00 179.24 177.81 2jmk h VAL 44 N 0.00 0.00 -0.22 -1.35 2.07 -1.97 -3.37 116.25 111.42 2jmk h VAL 44 Ca -0.00 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 66.64 2jmk h VAL 44 Cb 0.93 1.58 -0.06 0.00 -1.52 0.00 0.00 31.29 32.22 2jmk h VAL 44 CO 0.04 0.00 -0.18 0.24 0.02 0.00 0.00 177.57 177.69 2jmk h MET 45 N 0.00 -0.18 -0.73 1.57 2.86 -1.51 0.24 114.93 117.18 2jmk h MET 45 Ca 0.00 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.76 2jmk h MET 45 Cb 0.97 0.04 -0.08 0.00 0.06 0.00 0.00 31.60 32.59 2jmk h MET 45 CO 0.00 -0.12 0.34 0.00 1.06 0.00 0.00 176.91 178.19 2jmk h MET 46 N -0.19 0.54 -0.43 1.72 -0.00 -1.72 0.14 114.93 114.99 2jmk h MET 46 Ca 0.13 -0.03 -0.11 0.00 -0.00 0.00 0.00 59.70 59.68 2jmk h MET 46 Cb 0.38 -0.12 -0.02 0.00 -0.00 0.00 0.00 31.60 31.84 2jmk h MET 46 CO -0.33 0.35 -0.19 0.22 -0.00 0.00 0.00 176.91 176.97 2jmk h ASP 47 N 0.55 0.84 -0.48 -0.10 3.58 -1.50 -0.60 116.42 118.71 2jmk h ASP 47 Ca 0.37 -0.29 -0.07 0.00 0.42 0.00 0.00 57.03 57.46 2jmk h ASP 47 Cb 0.46 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 2jmk h ASP 47 CO -0.31 1.01 0.02 0.15 -2.88 0.00 0.00 179.24 177.23 2jmk h PHE 48 N 0.73 0.91 -0.33 0.28 3.57 0.80 0.24 116.94 123.14 2jmk h PHE 48 Ca 0.11 -0.15 -0.17 0.00 3.53 0.00 0.00 57.97 61.28 2jmk h PHE 48 Cb 0.71 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 2jmk h PHE 48 CO 0.04 0.86 -0.47 0.82 -2.23 0.00 0.00 178.31 177.33 2jmk h ILE 49 N 0.70 1.27 0.00 1.41 2.04 -0.68 -1.06 117.51 121.19 2jmk h ILE 49 Ca 0.14 -1.65 -0.09 0.00 1.00 0.00 0.00 64.86 64.26 2jmk h ILE 49 Cb 0.48 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 2jmk h ILE 49 CO 0.02 0.55 -0.42 -1.28 0.00 0.00 0.00 178.15 177.02 2jmk h SER 50 N 0.71 0.00 0.03 1.72 0.87 -1.02 0.26 113.55 116.13 2jmk h SER 50 Ca 0.04 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.53 2jmk h SER 50 Cb 1.07 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.04 2jmk h SER 50 CO 0.11 0.42 -0.26 -0.09 -0.53 0.00 0.00 176.83 176.47 2jmk h ARG 51 N 0.00 0.12 0.00 2.24 9.65 -0.40 -3.39 114.38 122.60 2jmk h ARG 51 Ca -0.00 -0.17 -0.00 0.00 -1.10 0.00 0.00 59.98 58.70 2jmk h ARG 51 Cb 1.04 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 2jmk h ARG 51 CO 0.05 1.02 -0.00 0.74 2.80 0.00 0.00 179.97 184.59 2jmk h PHE 52 N -0.70 -0.00 -3.44 2.20 -1.00 -1.24 -3.45 116.94 109.30 2jmk h PHE 52 Ca -0.04 -0.00 -0.54 0.00 2.81 0.00 0.00 57.97 60.20 2jmk h PHE 52 Cb 1.14 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.67 2jmk h PHE 52 CO 0.23 0.58 0.27 0.00 -1.61 0.00 0.00 178.31 177.77 2jmk s ALA 53 N -2.38 3.26 -0.02 2.45 0.00 0.90 -4.91 121.76 121.06 2jmk s ALA 53 Ca -0.11 0.41 -0.18 0.00 0.00 0.00 0.00 51.96 52.08 2jmk s ALA 53 Cb -0.02 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 2jmk s ALA 53 CO 0.41 -0.09 0.52 1.03 0.00 0.00 0.00 175.76 177.62 2jmk s ARG 54 N 0.48 4.21 -1.33 0.00 1.81 -1.26 -4.25 118.95 118.61 2jmk s ARG 54 Ca 0.45 0.59 -0.10 0.00 -1.72 0.00 0.00 55.73 54.94 2jmk s ARG 54 Cb -0.21 -3.32 0.13 0.00 -0.45 0.00 0.00 34.95 31.10 2jmk s ARG 54 CO 0.25 0.44 2.03 0.25 -0.68 0.00 0.00 175.30 177.59 2jmk n THR 55 N 2.58 4.22 -4.35 0.02 -2.24 -1.26 -4.93 114.28 108.33 2jmk n THR 55 Ca -0.09 -4.03 -0.18 0.00 -2.27 0.00 0.00 64.05 57.48 2jmk n THR 55 Cb 0.51 -2.40 -0.10 0.00 -2.10 0.00 0.00 70.33 66.24 2jmk n THR 55 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jmk s ASP 56 N 1.36 2.35 -0.29 3.42 1.01 -1.26 -5.06 116.67 118.20 2jmk s ASP 56 Ca 0.43 -1.10 0.07 0.00 0.71 0.00 0.00 52.55 52.67 2jmk s ASP 56 Cb 0.12 -0.10 0.46 0.00 1.01 0.00 0.00 42.92 44.41 2jmk s ASP 56 CO -0.03 -0.30 1.20 -0.62 0.21 0.00 0.00 175.17 175.63 2jmk n GLU 57 N -0.41 3.48 -3.67 8.23 1.02 -1.26 -4.99 120.64 123.04 2jmk n GLU 57 Ca -0.07 -4.11 -0.39 0.00 -0.02 0.00 0.00 57.16 52.57 2jmk n GLU 57 Cb 0.62 -2.24 -0.12 0.00 -0.02 0.00 0.00 31.44 29.68 2jmk n GLU 57 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2jmk s ILE 58 N -4.51 4.25 -0.47 -3.67 -1.09 -1.26 -4.95 121.20 109.51 2jmk s ILE 58 Ca 0.50 -0.90 0.05 0.00 -2.23 0.00 0.00 60.65 58.08 2jmk s ILE 58 Cb 0.41 -3.35 0.27 0.00 -1.58 0.00 0.00 42.46 38.21 2jmk s ILE 58 CO 0.03 -0.16 0.99 1.15 -1.23 0.00 0.00 174.94 175.72 2jmk n MET 59 N 4.92 0.79 -0.11 2.79 0.00 -1.26 -4.96 117.12 119.29 2jmk n MET 59 Ca -0.12 -1.69 -0.13 0.00 0.00 0.00 0.00 57.70 55.76 2jmk n MET 59 Cb 0.46 -1.23 -0.01 0.00 0.00 0.00 0.00 33.22 32.44 2jmk n MET 59 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 2jmk h PRO 60 N 3.62 0.92 0.00 3.17 0.13 -2.01 -3.33 132.00 134.49 2jmk h PRO 60 Ca -0.15 -0.48 -0.07 0.00 -0.87 0.00 0.00 66.00 64.43 2jmk h PRO 60 Cb 1.07 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.06 2jmk h PRO 60 CO 0.23 1.13 -0.65 0.39 -0.23 0.00 0.00 178.00 178.88 2jmk n GLU 61 N -4.06 0.53 -1.97 0.86 -0.58 -1.26 -5.06 120.64 109.10 2jmk n GLU 61 Ca -0.02 -2.13 -0.43 0.00 -0.42 0.00 0.00 57.16 54.16 2jmk n GLU 61 Cb 0.54 -0.69 -0.03 0.00 -0.57 0.00 0.00 31.44 30.70 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 -2.16 6.42 0.19 1.62 1.11 -1.25 -4.00 116.67 118.59 2jmk s ASP 62 Ca 0.26 2.01 0.06 0.00 0.18 0.00 0.00 52.55 55.07 2jmk s ASP 62 Cb 0.28 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.70 2jmk s ASP 62 CO -0.08 -1.16 0.12 -0.54 1.18 0.00 0.00 175.17 174.69 2jmk s LYS 63 N 4.54 2.80 -0.27 8.23 1.02 -0.13 -4.93 119.74 131.01 2jmk s LYS 63 Ca 0.77 -0.96 -0.29 0.00 0.02 0.00 0.00 55.97 55.50 2jmk s LYS 63 Cb -0.31 -2.57 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 2jmk s LYS 63 CO 0.31 0.46 1.11 0.99 -0.92 0.00 0.00 175.35 177.30 2jmk s THR 64 N -1.84 4.49 -0.12 2.17 2.01 -1.26 -1.16 115.64 119.94 2jmk s THR 64 Ca 0.31 1.76 0.20 0.00 0.31 0.00 0.00 61.69 64.26 2jmk s THR 64 Cb -0.09 -4.30 -0.26 0.00 0.01 0.00 0.00 72.50 67.86 2jmk s THR 64 CO 0.23 -0.34 0.41 0.55 -0.69 0.00 0.00 174.62 174.79 2jmk n VAL 65 N 5.66 0.73 0.00 3.82 3.14 0.41 -4.91 118.33 127.18 2jmk n VAL 65 Ca 0.13 -0.66 0.00 0.00 -2.96 0.00 0.00 64.34 60.84 2jmk n VAL 65 Cb 0.46 -0.31 0.00 0.00 -1.06 0.00 0.00 33.84 32.94 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 1.46 1.45 2.93 7.55 0.00 -1.25 -0.11 105.19 117.21 2jmk n GLY 66 Ca -0.15 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 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 0.07 -0.08 1.61 -0.12 0.45 -1.15 117.98 116.77 2jmk s PHE 67 Ca 0.00 -0.15 0.00 0.00 -0.05 0.00 0.00 56.93 56.74 2jmk s PHE 67 Cb 0.00 -0.06 0.02 0.00 -0.63 0.00 0.00 43.02 42.35 2jmk s PHE 67 CO 0.00 -0.08 -0.07 0.08 -0.05 0.00 0.00 175.22 175.10 2jmk s VAL 68 N -0.55 0.85 -0.27 -2.49 1.01 -0.33 -0.26 120.40 118.36 2jmk s VAL 68 Ca -0.06 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 2jmk s VAL 68 Cb -0.04 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 2jmk s VAL 68 CO -0.00 0.32 0.20 -0.69 0.00 0.00 0.00 175.10 174.92 2jmk s VAL 69 N 1.34 5.31 -0.23 2.92 1.01 0.99 -0.29 120.40 131.45 2jmk s VAL 69 Ca -0.03 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.16 2jmk s VAL 69 Cb -0.14 -3.54 0.06 0.00 0.00 0.00 0.00 36.38 32.76 2jmk s VAL 69 CO -0.03 0.27 -0.06 -0.69 0.00 0.00 0.00 175.10 174.58 2jmk s VAL 70 N 1.60 1.57 -0.29 2.92 1.01 0.77 -1.26 120.40 126.72 2jmk s VAL 70 Ca 0.08 -1.19 0.03 0.00 0.00 0.00 0.00 61.98 60.89 2jmk s VAL 70 Cb -0.15 -1.79 0.08 0.00 0.00 0.00 0.00 36.38 34.51 2jmk s VAL 70 CO 0.09 -0.05 -0.01 0.21 0.00 0.00 0.00 175.10 175.34 2jmk s ASN 71 N 1.39 4.43 0.19 3.32 2.47 -0.44 -0.52 114.94 125.78 2jmk s ASN 71 Ca -0.05 -1.69 -0.07 0.00 0.42 0.00 0.00 52.86 51.46 2jmk s ASN 71 Cb -0.18 -1.45 0.09 0.00 -1.45 0.00 0.00 41.25 38.26 2jmk s ASN 71 CO -0.06 -0.30 1.59 0.00 -3.72 0.00 0.00 177.10 174.61 2jmk h ALA 72 N 7.77 0.78 -0.17 1.71 0.00 -0.71 0.31 119.26 128.95 2jmk h ALA 72 Ca -0.12 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.46 2jmk h ALA 72 Cb 1.04 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 2jmk h ALA 72 CO 0.48 0.66 -0.22 0.22 0.00 0.00 0.00 179.25 180.38 2jmk h ASP 73 N 0.79 -0.71 -0.62 0.00 1.82 -1.69 -1.51 116.42 114.51 2jmk h ASP 73 Ca 0.11 0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.87 2jmk h ASP 73 Cb 0.75 0.32 0.00 0.00 0.68 0.00 0.00 39.33 41.09 2jmk h ASP 73 CO 0.06 -0.27 0.00 0.29 -1.61 0.00 0.00 179.24 177.71 2jmk n LYS 74 N -5.36 3.88 -4.13 0.28 4.76 -1.21 -4.95 118.16 111.44 2jmk n LYS 74 Ca -0.02 -2.83 -0.37 0.00 -2.87 0.00 0.00 58.31 52.22 2jmk n LYS 74 Cb 0.27 -1.96 -0.03 0.00 -1.84 0.00 0.00 35.03 31.47 2jmk n LYS 74 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2jmk n LYS 75 N 1.00 -0.58 -4.71 1.97 2.85 0.72 -4.92 118.16 114.49 2jmk n LYS 75 Ca 0.25 0.04 -0.33 0.00 -1.05 0.00 0.00 58.31 57.23 2jmk n LYS 75 Cb 0.93 -2.74 -0.12 0.00 -0.65 0.00 0.00 35.03 32.45 2jmk n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2jmk s LEU 76 N -7.22 2.97 -0.07 -5.58 1.43 0.76 -4.25 118.68 106.71 2jmk s LEU 76 Ca 0.24 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.20 2jmk s LEU 76 Cb -0.14 -1.64 0.03 0.00 0.03 0.00 0.00 46.19 44.47 2jmk s LEU 76 CO 0.92 0.31 -0.01 -0.04 0.23 0.00 0.00 176.35 177.76 2jmk s MET 77 N -0.50 0.74 -0.05 1.70 -1.94 0.43 -1.32 119.30 118.35 2jmk s MET 77 Ca 0.07 0.05 -0.01 0.00 -1.71 0.00 0.00 55.69 54.09 2jmk s MET 77 Cb -0.12 -1.04 0.03 0.00 2.01 0.00 0.00 34.83 35.71 2jmk s MET 77 CO 0.02 -0.28 0.01 -1.12 -0.01 0.00 0.00 175.02 173.63 2jmk s SER 78 N 1.87 1.10 -0.12 3.03 0.01 -0.39 -0.49 113.70 118.72 2jmk s SER 78 Ca 0.04 -0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.27 2jmk s SER 78 Cb -0.12 -0.32 -0.01 0.00 0.21 0.00 0.00 66.02 65.78 2jmk s SER 78 CO -0.05 -0.17 -0.16 0.68 0.41 0.00 0.00 173.24 173.95 2jmk s VAL 79 N 1.64 2.79 -0.35 3.43 -7.23 -0.34 -0.01 120.40 120.33 2jmk s VAL 79 Ca -0.01 -0.76 0.01 0.00 -1.81 0.00 0.00 61.98 59.41 2jmk s VAL 79 Cb -0.13 -2.14 0.11 0.00 0.56 0.00 0.00 36.38 34.78 2jmk s VAL 79 CO -0.03 0.54 0.14 -0.44 -0.31 0.00 0.00 175.10 174.99 2jmk s SER 80 N 0.26 3.98 -0.15 4.85 0.01 0.65 -1.08 113.70 122.21 2jmk s SER 80 Ca -0.11 -1.99 -0.08 0.00 1.31 0.00 0.00 55.95 55.08 2jmk s SER 80 Cb -0.16 -0.98 -0.04 0.00 0.21 0.00 0.00 66.02 65.04 2jmk s SER 80 CO 0.06 -0.37 0.13 -0.36 0.41 0.00 0.00 173.24 173.11 2jmk s PHE 81 N 1.17 3.51 -0.05 2.43 0.40 -1.16 -0.41 117.98 123.87 2jmk s PHE 81 Ca 0.12 0.44 0.02 0.00 -0.60 0.00 0.00 56.93 56.91 2jmk s PHE 81 Cb -0.20 -2.01 0.01 0.00 0.51 0.00 0.00 43.02 41.33 2jmk s PHE 81 CO -0.16 0.56 -0.10 -1.12 0.70 0.00 0.00 175.22 175.11 2jmk s SER 82 N -0.51 1.46 -0.83 1.36 0.01 0.84 -4.55 113.70 111.48 2jmk s SER 82 Ca 0.12 -0.23 -0.04 0.00 1.31 0.00 0.00 55.95 57.11 2jmk s SER 82 Cb -0.12 -0.62 -0.05 0.00 0.21 0.00 0.00 66.02 65.45 2jmk s SER 82 CO 0.02 0.02 0.74 0.47 0.41 0.00 0.00 173.24 174.90 2jmk n ASP 83 N 3.73 -6.05 -4.35 2.44 8.00 -1.26 -4.64 116.55 114.42 2jmk n ASP 83 Ca -0.22 -0.50 -0.26 0.00 0.71 0.00 0.00 54.79 54.52 2jmk n ASP 83 Cb 0.52 -4.46 -0.09 0.00 -0.02 0.00 0.00 41.12 37.07 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 -3.27 0.95 0.50 0.53 -4.36 -1.26 -5.12 121.20 109.17 2jmk s ILE 84 Ca 0.32 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.65 2jmk s ILE 84 Cb -0.04 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.14 2jmk s ILE 84 CO 0.62 0.00 0.82 -1.81 0.24 0.00 0.00 174.94 174.81 2jmk s ASP 85 N -3.62 6.27 0.07 4.36 1.11 -1.26 -5.01 116.67 118.59 2jmk s ASP 85 Ca 0.26 1.00 -0.15 0.00 0.18 0.00 0.00 52.55 53.84 2jmk s ASP 85 Cb 0.05 -2.28 -0.21 0.00 1.07 0.00 0.00 42.92 41.55 2jmk s ASP 85 CO 0.13 -0.61 1.22 1.05 1.18 0.00 0.00 175.17 178.14 2jmk h GLU 86 N 0.18 0.69 0.25 8.23 4.11 -2.01 -3.03 114.58 123.00 2jmk h GLU 86 Ca -0.47 -0.67 -0.01 0.00 0.07 0.00 0.00 59.36 58.28 2jmk h GLU 86 Cb 1.20 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.63 2jmk h GLU 86 CO 0.62 1.27 -0.12 -0.97 0.07 0.00 0.00 179.01 179.87 2jmk h ASN 87 N 0.37 -0.28 -0.25 3.06 -0.73 -2.02 -2.22 115.58 113.51 2jmk h ASN 87 Ca -0.09 -0.00 0.07 0.00 1.87 0.00 0.00 56.30 58.14 2jmk h ASN 87 Cb 1.53 0.07 -0.01 0.00 0.27 0.00 0.00 38.32 40.18 2jmk h ASN 87 CO 0.18 -0.19 0.20 -0.03 -0.37 0.00 0.00 177.43 177.21 2jmk h MET 88 N -0.35 0.00 -0.95 6.67 4.05 -1.98 -1.13 114.93 121.24 2jmk h MET 88 Ca -0.03 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.44 2jmk h MET 88 Cb 0.27 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.01 2jmk h MET 88 CO 0.06 0.00 0.62 -0.22 0.23 0.00 0.00 176.91 177.59 2jmk h LYS 89 N 0.00 1.09 0.44 0.39 3.64 -1.26 -0.72 116.57 120.14 2jmk h LYS 89 Ca 0.12 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2jmk h LYS 89 Cb 0.51 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2jmk h LYS 89 CO -0.00 0.72 -0.26 -0.22 -2.27 0.00 0.00 179.45 177.42 2jmk h LYS 90 N 1.12 -0.64 0.45 1.90 1.63 -1.19 0.24 116.57 120.09 2jmk h LYS 90 Ca 0.40 0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.22 2jmk h LYS 90 Cb 0.13 0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.91 2jmk h LYS 90 CO -0.14 -0.42 -0.25 0.28 -3.45 0.00 0.00 179.45 175.46 2jmk h VAL 91 N -0.66 0.48 -0.93 2.00 2.07 -1.55 -0.64 116.25 117.02 2jmk h VAL 91 Ca -0.05 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.59 2jmk h VAL 91 Cb 0.54 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 2jmk h VAL 91 CO 0.06 0.00 0.60 0.40 0.02 0.00 0.00 177.57 178.64 2jmk h ILE 92 N -0.65 0.91 -0.46 4.57 2.04 -1.11 -1.09 117.51 121.73 2jmk h ILE 92 Ca -0.05 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.44 2jmk h ILE 92 Cb 0.52 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2jmk h ILE 92 CO 0.07 0.16 0.04 0.50 0.00 0.00 0.00 178.15 178.92 2jmk h LYS 93 N 0.87 0.78 -0.01 2.37 3.64 -0.15 -0.85 116.57 123.23 2jmk h LYS 93 Ca 0.45 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2jmk h LYS 93 Cb 0.52 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2jmk h LYS 93 CO -0.22 0.82 0.00 0.00 -2.27 0.00 0.00 179.45 177.78 2jmk h ALA 94 N 0.93 0.01 -0.06 5.00 0.00 0.01 0.21 119.26 125.36 2jmk h ALA 94 Ca 0.13 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jmk h ALA 94 Cb 0.44 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2jmk h ALA 94 CO 0.02 -0.45 0.03 1.15 0.00 0.00 0.00 179.25 180.00 2jmk h THR 95 N -0.08 1.06 0.00 0.00 2.02 -1.21 -0.45 112.91 114.26 2jmk h THR 95 Ca 0.00 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 2jmk h THR 95 Cb 0.09 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2jmk h THR 95 CO -0.00 0.05 -0.19 0.00 0.37 0.00 0.00 175.52 175.75 2jmk h ALA 96 N 0.96 1.48 -0.10 6.16 0.00 -1.09 -2.70 119.26 123.96 2jmk h ALA 96 Ca 0.02 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.52 2jmk h ALA 96 Cb 0.06 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2jmk h ALA 96 CO -0.00 0.24 -0.85 1.49 0.00 0.00 0.00 179.25 180.13 2jmk h GLU 97 N 0.00 0.75 -0.60 0.00 4.81 -0.07 -3.16 114.58 116.32 2jmk h GLU 97 Ca -0.00 -0.67 0.16 0.00 -0.13 0.00 0.00 59.36 58.71 2jmk h GLU 97 Cb 0.39 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 2jmk h GLU 97 CO 0.03 1.27 0.42 0.87 -0.73 0.00 0.00 179.01 180.87 2jmk h LYS 98 N 0.47 0.10 -0.21 1.92 6.56 -0.75 0.12 116.57 124.77 2jmk h LYS 98 Ca -0.08 -0.01 0.06 0.00 -1.06 0.00 0.00 60.65 59.57 2jmk h LYS 98 Cb 1.49 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 33.12 2jmk h LYS 98 CO 0.17 0.06 0.24 0.74 -2.06 0.00 0.00 179.45 178.60 2jmk h PHE 99 N 0.10 0.00 0.00 -1.35 -1.00 -1.54 0.22 116.94 113.38 2jmk h PHE 99 Ca 0.29 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.07 2jmk h PHE 99 Cb 0.99 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.55 2jmk h PHE 99 CO -0.00 0.00 0.00 1.17 -1.61 0.00 0.00 178.31 177.87 2jmk n LYS 100 N -3.74 0.15 0.03 1.51 0.00 0.41 -0.05 118.16 116.46 2jmk n LYS 100 Ca 0.02 0.51 0.13 0.00 0.00 0.00 0.00 58.31 58.97 2jmk n LYS 100 Cb 0.37 -1.88 0.37 0.00 0.00 0.00 0.00 35.03 33.89 2jmk n LYS 100 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2jmk n ASN 101 N -2.18 0.42 0.00 3.14 3.02 0.78 -0.82 115.26 119.62 2jmk n ASN 101 Ca 0.01 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 2jmk n ASN 101 Cb 0.13 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 2jmk n ASN 101 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2jmk n LYS 102 N -1.72 0.90 0.00 3.52 4.76 -0.30 -4.81 118.16 120.52 2jmk n LYS 102 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 2jmk n LYS 102 Cb 0.37 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.57 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 2.56 0.00 2.51 0.72 0.00 0.92 -5.00 105.19 106.90 2jmk n GLY 103 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.74 -0.18 -3.25 1.61 3.72 0.00 -4.85 117.46 112.78 2jmk n PHE 104 Ca 0.00 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.18 2jmk n PHE 104 Cb 0.30 -3.44 -0.07 0.00 -0.94 0.00 0.00 39.48 35.33 2jmk n PHE 104 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2jmk n LYS 105 N -2.41 0.29 -5.05 -1.08 0.00 -1.26 -5.00 118.16 103.65 2jmk n LYS 105 Ca -0.20 -2.94 -0.32 0.00 0.00 0.00 0.00 58.31 54.85 2jmk n LYS 105 Cb 0.66 -1.60 -0.15 0.00 0.00 0.00 0.00 35.03 33.94 2jmk n LYS 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2jmk s VAL 106 N 0.15 2.59 -0.05 3.15 0.11 -1.26 -0.43 120.40 124.67 2jmk s VAL 106 Ca 0.33 -0.88 -0.02 0.00 -2.93 0.00 0.00 61.98 58.48 2jmk s VAL 106 Cb 0.04 -2.00 0.03 0.00 -1.53 0.00 0.00 36.38 32.93 2jmk s VAL 106 CO -0.17 0.57 0.06 -0.70 -3.33 0.00 0.00 175.10 171.54 2jmk s GLU 107 N -0.33 -0.04 -0.10 1.54 2.12 0.36 -5.00 118.70 117.24 2jmk s GLU 107 Ca 0.02 0.32 -0.02 0.00 0.36 0.00 0.00 54.97 55.65 2jmk s GLU 107 Cb -0.13 -0.66 -0.03 0.00 0.26 0.00 0.00 34.13 33.57 2jmk s GLU 107 CO 0.02 -0.36 -0.01 0.95 -0.54 0.00 0.00 175.26 175.32 2jmk s THR 108 N 2.16 4.18 -0.05 -1.70 -4.23 -1.26 -1.20 115.64 113.54 2jmk s THR 108 Ca 0.05 -0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 2jmk s THR 108 Cb -0.12 -2.78 0.02 0.00 1.34 0.00 0.00 72.50 70.96 2jmk s THR 108 CO -0.04 0.57 -0.03 -0.62 -0.54 0.00 0.00 174.62 173.96 2jmk s ASP 109 N -0.54 1.12 0.00 3.99 -1.08 -0.24 -4.97 116.67 114.94 2jmk s ASP 109 Ca 0.09 -0.12 0.00 0.00 -0.52 0.00 0.00 52.55 52.00 2jmk s ASP 109 Cb -0.12 -0.46 0.00 0.00 -1.46 0.00 0.00 42.92 40.88 2jmk s ASP 109 CO 0.02 -0.09 0.38 0.23 0.52 0.00 0.00 175.17 176.23