#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 4.92 -0.11 3.17 -1.32 -1.26 -4.95 115.64 116.09 2jmk s THR 2 Ca 0.00 0.57 -0.03 0.00 -1.21 0.00 0.00 61.69 61.02 2jmk s THR 2 Cb 0.00 -3.65 -0.03 0.00 -1.51 0.00 0.00 72.50 67.30 2jmk s THR 2 CO 0.00 0.04 0.02 -0.76 -2.21 0.00 0.00 174.62 171.71 2jmk s LEU 3 N -2.53 3.68 0.04 9.08 1.43 -1.26 -1.12 118.68 127.99 2jmk s LEU 3 Ca 0.44 0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.72 2jmk s LEU 3 Cb -0.12 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 2jmk s LEU 3 CO 0.20 0.34 -0.08 0.00 0.23 0.00 0.00 176.35 177.05 2jmk s ALA 5 N -1.22 2.72 -0.13 0.00 0.00 0.69 -0.04 121.76 123.78 2jmk s ALA 5 Ca -0.08 -1.88 -0.01 0.00 0.00 0.00 0.00 51.96 49.99 2jmk s ALA 5 Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 2jmk s ALA 5 CO 0.00 0.26 -0.12 -1.64 0.00 0.00 0.00 175.76 174.26 2jmk s MET 6 N -3.52 3.39 -0.32 0.00 -1.94 -0.35 -1.42 119.30 115.13 2jmk s MET 6 Ca 0.30 -0.66 -0.00 0.00 -1.71 0.00 0.00 55.69 53.61 2jmk s MET 6 Cb -0.04 -2.66 0.07 0.00 2.01 0.00 0.00 34.83 34.21 2jmk s MET 6 CO 0.15 0.24 0.04 -0.47 -0.01 0.00 0.00 175.02 174.96 2jmk s TYR 7 N 0.29 3.41 -0.56 -0.03 6.14 0.82 -0.91 117.35 126.53 2jmk s TYR 7 Ca -0.09 -2.22 -0.19 0.00 0.64 0.00 0.00 57.07 55.20 2jmk s TYR 7 Cb -0.15 -2.45 0.08 0.00 0.42 0.00 0.00 41.96 39.85 2jmk s TYR 7 CO 0.05 -0.87 0.70 1.21 0.64 0.00 0.00 175.55 177.28 2jmk s ASN 8 N 1.31 6.20 -0.17 4.32 2.47 -0.06 -0.08 114.94 128.93 2jmk s ASN 8 Ca -0.00 -1.15 -0.05 0.00 0.42 0.00 0.00 52.86 52.08 2jmk s ASN 8 Cb -0.20 -2.31 -0.03 0.00 -1.45 0.00 0.00 41.25 37.26 2jmk s ASN 8 CO -0.03 -1.05 -0.00 -0.51 -3.72 0.00 0.00 177.10 171.79 2jmk s ILE 9 N 2.81 4.16 -0.21 -5.21 2.07 -0.29 -0.05 121.20 124.48 2jmk s ILE 9 Ca 0.14 -0.26 -0.02 0.00 -1.41 0.00 0.00 60.65 59.10 2jmk s ILE 9 Cb -0.21 -2.85 0.06 0.00 0.13 0.00 0.00 42.46 39.59 2jmk s ILE 9 CO 0.09 0.47 0.04 -0.55 -1.91 0.00 0.00 174.94 173.08 2jmk s SER 10 N 0.49 3.08 0.55 4.50 0.15 0.82 -0.09 113.70 123.21 2jmk s SER 10 Ca -0.01 -0.93 -0.19 0.00 0.70 0.00 0.00 55.95 55.52 2jmk s SER 10 Cb -0.14 -0.64 -0.05 0.00 -1.71 0.00 0.00 66.02 63.48 2jmk s SER 10 CO 0.02 -0.32 1.16 -0.32 1.20 0.00 0.00 173.24 174.98 2jmk s MET 11 N 1.82 3.26 -0.31 5.44 1.75 -1.26 -0.09 119.30 129.90 2jmk s MET 11 Ca -0.00 1.70 -0.35 0.00 -1.25 0.00 0.00 55.69 55.79 2jmk s MET 11 Cb -0.17 -2.01 -0.11 0.00 2.84 0.00 0.00 34.83 35.38 2jmk s MET 11 CO -0.10 -0.95 2.13 0.00 -0.65 0.00 0.00 175.02 175.45 2jmk n ALA 12 N -1.34 1.01 -2.24 4.11 0.00 -1.26 -1.31 120.51 119.48 2jmk n ALA 12 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2jmk n ALA 12 Cb 0.50 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.41 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 6.11 0.73 3.63 0.00 0.00 -1.26 -4.88 105.19 109.52 2jmk n GLY 13 Ca 0.38 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.97 -0.73 0.84 1.61 0.01 -0.43 -5.14 113.70 106.89 2jmk s SER 14 Ca 0.00 1.38 -0.14 0.00 1.31 0.00 0.00 55.95 58.50 2jmk s SER 14 Cb 0.00 1.39 -0.00 0.00 0.21 0.00 0.00 66.02 67.62 2jmk s SER 14 CO 0.00 -0.26 0.45 0.00 0.41 0.00 0.00 173.24 173.84 2jmk n HIS 15 N 2.57 -1.19 -1.90 2.43 -0.00 -1.26 -4.19 115.22 111.68 2jmk n HIS 15 Ca -0.14 0.28 -0.34 0.00 -0.00 0.00 0.00 57.72 57.53 2jmk n HIS 15 Cb 0.55 -1.84 0.03 0.00 -0.00 0.00 0.00 29.99 28.73 2jmk n HIS 15 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2jmk s PRO 16 N -3.20 2.96 -0.14 -1.40 0.04 -1.26 -4.52 135.00 127.49 2jmk s PRO 16 Ca 0.61 1.45 -0.00 0.00 0.04 0.00 0.00 61.00 63.09 2jmk s PRO 16 Cb -0.28 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.33 2jmk s PRO 16 CO 0.63 -1.13 -0.09 0.99 0.04 0.00 0.00 177.00 177.44 2jmk s THR 17 N -2.19 1.20 -0.53 1.26 2.01 0.87 -4.96 115.64 113.30 2jmk s THR 17 Ca 0.68 -0.48 -0.25 0.00 0.31 0.00 0.00 61.69 61.95 2jmk s THR 17 Cb -0.21 -1.23 0.04 0.00 0.01 0.00 0.00 72.50 71.10 2jmk s THR 17 CO 0.37 0.32 0.97 -0.89 -0.69 0.00 0.00 174.62 174.71 2jmk s THR 18 N 1.63 4.35 -0.33 -0.82 2.01 -1.26 -1.14 115.64 120.08 2jmk s THR 18 Ca 0.04 0.47 -0.06 0.00 0.31 0.00 0.00 61.69 62.45 2jmk s THR 18 Cb -0.13 -4.54 0.04 0.00 0.01 0.00 0.00 72.50 67.87 2jmk s THR 18 CO -0.09 -1.08 0.10 -0.63 -0.69 0.00 0.00 174.62 172.23 2jmk s ILE 19 N 4.05 3.78 -0.01 1.82 1.01 0.89 -4.95 121.20 127.79 2jmk s ILE 19 Ca 0.34 -1.08 -0.28 0.00 0.00 0.00 0.00 60.65 59.63 2jmk s ILE 19 Cb -0.11 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 2jmk s ILE 19 CO 0.22 -0.14 0.89 0.00 0.00 0.00 0.00 174.94 175.91 2jmk s VAL 21 N 0.81 0.24 0.68 0.00 1.01 -0.51 -3.72 120.40 118.92 2jmk s VAL 21 Ca 0.47 -0.37 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 2jmk s VAL 21 Cb -0.20 -0.26 0.01 0.00 0.00 0.00 0.00 36.38 35.93 2jmk s VAL 21 CO 0.25 -0.09 1.28 -0.69 0.00 0.00 0.00 175.10 175.85 2jmk s VAL 22 N -0.46 2.04 0.15 2.92 1.01 -1.26 -0.23 120.40 124.57 2jmk s VAL 22 Ca -0.03 0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.77 2jmk s VAL 22 Cb -0.04 -2.89 0.04 0.00 0.00 0.00 0.00 36.38 33.49 2jmk s VAL 22 CO -0.00 -0.01 1.66 -0.03 0.00 0.00 0.00 175.10 176.72 2jmk h MET 23 N 0.26 -0.11 0.00 2.72 4.05 -1.41 0.29 114.93 120.74 2jmk h MET 23 Ca -0.50 0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 58.88 2jmk h MET 23 Cb 1.33 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.15 2jmk h MET 23 CO 0.52 -0.07 -0.23 0.22 0.23 0.00 0.00 176.91 177.58 2jmk h ASP 24 N -0.11 0.00 -0.19 1.39 3.58 -1.91 -1.83 116.42 117.35 2jmk h ASP 24 Ca 0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.59 2jmk h ASP 24 Cb 0.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.38 2jmk h ASP 24 CO -0.34 0.23 0.00 -1.14 -2.88 0.00 0.00 179.24 175.11 2jmk n ARG 25 N -3.70 1.82 0.23 0.28 3.00 -0.07 -4.26 116.66 113.95 2jmk n ARG 25 Ca -0.01 -1.23 -0.15 0.00 -0.00 0.00 0.00 57.85 56.45 2jmk n ARG 25 Cb 0.34 -1.41 -0.08 0.00 0.00 0.00 0.00 32.46 31.31 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 2.49 -0.51 -0.59 -0.14 3.04 0.39 -1.10 116.94 120.52 2jmk h PHE 26 Ca 0.00 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.00 2jmk h PHE 26 Cb 0.55 0.17 -0.06 0.00 2.56 0.00 0.00 35.95 39.17 2jmk h PHE 26 CO 0.12 -0.26 0.28 1.25 -2.02 0.00 0.00 178.31 177.68 2jmk h LEU 27 N -0.66 0.37 -0.10 0.59 5.85 -1.77 -1.33 115.31 118.26 2jmk h LEU 27 Ca -0.06 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2jmk h LEU 27 Cb 0.48 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2jmk h LEU 27 CO 0.09 0.24 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.34 2jmk h GLU 28 N 0.52 0.03 -0.26 1.25 4.81 -1.77 0.22 114.58 119.37 2jmk h GLU 28 Ca 0.28 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.55 2jmk h GLU 28 Cb 0.24 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 2jmk h GLU 28 CO -0.22 0.02 -0.00 1.03 -0.73 0.00 0.00 179.01 179.11 2jmk h SER 29 N 0.03 -0.11 -0.75 1.04 0.87 -0.69 -1.21 113.55 112.73 2jmk h SER 29 Ca 0.05 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2jmk h SER 29 Cb 0.06 0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 2jmk h SER 29 CO -0.08 -0.02 0.46 0.15 -0.53 0.00 0.00 176.83 176.81 2jmk h PHE 30 N 0.08 0.98 -0.07 2.24 3.04 -1.00 0.67 116.94 122.87 2jmk h PHE 30 Ca 0.12 0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.10 2jmk h PHE 30 Cb 0.16 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.33 2jmk h PHE 30 CO -0.21 0.65 -0.05 1.03 -2.02 0.00 0.00 178.31 177.71 2jmk h SER 31 N 1.02 -0.16 0.42 0.41 0.87 -0.32 -0.92 113.55 114.87 2jmk h SER 31 Ca 0.27 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.78 2jmk h SER 31 Cb -0.06 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2jmk h SER 31 CO -0.05 -0.07 -0.42 -0.33 -0.53 0.00 0.00 176.83 175.42 2jmk h GLU 32 N -0.06 0.00 -0.36 2.24 3.07 -1.01 -3.04 114.58 115.42 2jmk h GLU 32 Ca 0.05 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.87 2jmk h GLU 32 Cb 0.13 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 2jmk h GLU 32 CO -0.11 0.42 0.08 1.25 -1.40 0.00 0.00 179.01 179.25 2jmk h LEU 33 N 0.00 0.55 -2.69 1.33 7.12 -0.18 -1.13 115.31 120.30 2jmk h LEU 33 Ca -0.00 -0.24 0.01 0.00 0.13 0.00 0.00 57.88 57.77 2jmk h LEU 33 Cb 0.75 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 40.73 2jmk h LEU 33 CO 0.05 0.65 0.06 0.22 -0.13 0.00 0.00 178.44 179.30 2jmk h TYR 34 N 0.42 0.00 0.00 1.25 3.20 -1.07 0.20 116.97 120.98 2jmk h TYR 34 Ca 0.11 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 2jmk h TYR 34 Cb 0.32 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 2jmk h TYR 34 CO 0.02 0.00 -0.43 -0.44 -1.64 0.00 0.00 178.16 175.67 2jmk h ASP 35 N 0.00 0.00 -0.68 -2.11 3.32 -1.44 -3.31 116.42 112.20 2jmk h ASP 35 Ca 0.01 -0.04 0.07 0.00 0.02 0.00 0.00 57.03 57.09 2jmk h ASP 35 Cb 0.14 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 2jmk h ASP 35 CO -0.00 0.74 0.45 -0.29 -1.72 0.00 0.00 179.24 178.42 2jmk h ILE 36 N -1.00 0.99 0.00 0.35 2.10 -1.06 -0.23 117.51 118.67 2jmk h ILE 36 Ca -0.02 -0.22 -0.03 0.00 1.08 0.00 0.00 64.86 65.67 2jmk h ILE 36 Cb 0.45 0.28 -0.00 0.00 -1.09 0.00 0.00 36.82 36.45 2jmk h ILE 36 CO -0.01 0.12 -0.13 -0.29 -1.08 0.00 0.00 178.15 176.76 2jmk h ILE 37 N 0.66 0.99 -0.06 2.19 6.09 -0.78 -1.78 117.51 124.81 2jmk h ILE 37 Ca 0.30 -0.46 0.02 0.00 -1.37 0.00 0.00 64.86 63.34 2jmk h ILE 37 Cb 0.32 1.26 -0.00 0.00 0.47 0.00 0.00 36.82 38.87 2jmk h ILE 37 CO -0.10 0.13 0.06 -0.78 -3.07 0.00 0.00 178.15 174.39 2jmk h ASP 38 N 0.00 0.00 -4.94 2.19 3.58 -1.12 -3.43 116.42 112.70 2jmk h ASP 38 Ca -0.00 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.19 2jmk h ASP 38 Cb 0.25 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 2jmk h ASP 38 CO 0.02 0.00 -0.09 -0.62 -2.88 0.00 0.00 179.24 175.67 2jmk n GLU 39 N -3.94 0.96 -0.92 0.28 -0.58 -0.67 -5.06 120.64 110.71 2jmk n GLU 39 Ca -0.02 -1.61 0.05 0.00 -0.42 0.00 0.00 57.16 55.16 2jmk n GLU 39 Cb 0.15 0.04 0.14 0.00 -0.57 0.00 0.00 31.44 31.21 2jmk n GLU 39 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2jmk n ASN 40 N -2.28 1.50 -4.58 1.62 6.94 -1.26 -5.02 115.26 112.18 2jmk n ASN 40 Ca 0.03 -3.27 -0.42 0.00 -0.02 0.00 0.00 54.58 50.91 2jmk n ASN 40 Cb 0.30 -0.45 -0.03 0.00 -2.36 0.00 0.00 39.78 37.24 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 -2.83 5.98 0.03 0.53 1.01 -1.26 -4.84 116.67 115.29 2jmk s ASP 41 Ca 0.37 0.66 0.08 0.00 0.71 0.00 0.00 52.55 54.37 2jmk s ASP 41 Cb 0.38 -2.54 -0.23 0.00 1.01 0.00 0.00 42.92 41.54 2jmk s ASP 41 CO -0.10 -1.75 0.96 0.74 0.21 0.00 0.00 175.17 175.22 2jmk h THR 42 N 6.59 1.27 0.00 -1.27 2.02 -1.99 -3.15 112.91 116.37 2jmk h THR 42 Ca -0.28 -3.03 -0.05 0.00 0.77 0.00 0.00 66.41 63.81 2jmk h THR 42 Cb 1.12 2.65 -0.01 0.00 -1.74 0.00 0.00 68.15 70.18 2jmk h THR 42 CO 1.13 0.74 -0.22 -2.24 0.37 0.00 0.00 175.52 175.30 2jmk h ASP 43 N 0.01 0.00 1.13 4.18 2.03 -2.04 -2.82 116.42 118.91 2jmk h ASP 43 Ca -0.16 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.12 2jmk h ASP 43 Cb 1.91 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 40.40 2jmk h ASP 43 CO 0.11 0.22 -0.88 0.58 -1.03 0.00 0.00 179.24 178.24 2jmk h VAL 44 N 0.00 0.08 -0.22 4.15 2.07 -1.97 -3.37 116.25 117.00 2jmk h VAL 44 Ca -0.00 -1.15 0.06 0.00 0.82 0.00 0.00 66.70 66.42 2jmk h VAL 44 Cb 0.74 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 32.11 2jmk h VAL 44 CO 0.03 0.05 -0.17 0.24 0.02 0.00 0.00 177.57 177.73 2jmk h MET 45 N 0.00 -0.17 -0.56 1.57 2.86 -1.45 -1.13 114.93 116.05 2jmk h MET 45 Ca -0.02 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 2jmk h MET 45 Cb 1.08 0.04 -0.08 0.00 0.06 0.00 0.00 31.60 32.70 2jmk h MET 45 CO 0.01 -0.11 0.10 0.00 1.06 0.00 0.00 176.91 177.97 2jmk h MET 46 N -0.18 0.23 -0.84 1.72 -0.00 -1.72 0.12 114.93 114.26 2jmk h MET 46 Ca 0.13 -0.01 0.03 0.00 -0.00 0.00 0.00 59.70 59.85 2jmk h MET 46 Cb 0.37 -0.05 -0.05 0.00 -0.00 0.00 0.00 31.60 31.87 2jmk h MET 46 CO -0.32 0.15 0.54 0.22 -0.00 0.00 0.00 176.91 177.50 2jmk h ASP 47 N 0.23 0.89 -0.17 -0.10 3.58 -1.55 -1.18 116.42 118.12 2jmk h ASP 47 Ca 0.29 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.71 2jmk h ASP 47 Cb 0.43 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2jmk h ASP 47 CO -0.39 0.61 -0.00 0.15 -2.88 0.00 0.00 179.24 176.73 2jmk h PHE 48 N 1.05 0.33 -0.35 0.28 3.57 0.06 0.24 116.94 122.12 2jmk h PHE 48 Ca 0.34 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.82 2jmk h PHE 48 Cb 0.02 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 2jmk h PHE 48 CO -0.02 0.52 0.10 0.82 -2.23 0.00 0.00 178.31 177.49 2jmk h ILE 49 N 0.05 0.86 0.00 1.41 2.04 -0.49 -0.87 117.51 120.51 2jmk h ILE 49 Ca 0.05 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.73 2jmk h ILE 49 Cb 0.39 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2jmk h ILE 49 CO 0.01 0.04 -0.49 0.28 0.00 0.00 0.00 178.15 177.99 2jmk h SER 50 N 0.23 0.00 -0.13 1.72 0.02 -1.19 0.24 113.55 114.44 2jmk h SER 50 Ca 0.16 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2jmk h SER 50 Cb 0.16 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2jmk h SER 50 CO -0.19 0.49 0.02 -0.09 -1.14 0.00 0.00 176.83 175.92 2jmk h ARG 51 N 0.00 0.22 0.00 3.45 9.65 0.38 -3.37 114.38 124.71 2jmk h ARG 51 Ca -0.00 -0.06 -0.08 0.00 -1.10 0.00 0.00 59.98 58.73 2jmk h ARG 51 Cb 1.07 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.62 2jmk h ARG 51 CO 0.06 0.41 -0.68 0.74 2.80 0.00 0.00 179.97 183.30 2jmk h PHE 52 N -0.01 0.00 -2.63 2.20 0.04 -1.21 -3.44 116.94 111.89 2jmk h PHE 52 Ca 0.04 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.27 2jmk h PHE 52 Cb 0.30 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.39 2jmk h PHE 52 CO 0.02 0.61 1.15 0.00 -0.60 0.00 0.00 178.31 179.49 2jmk s ALA 53 N -2.54 2.70 -0.08 2.45 0.00 0.86 -4.86 121.76 120.29 2jmk s ALA 53 Ca -0.18 -0.66 0.05 0.00 0.00 0.00 0.00 51.96 51.16 2jmk s ALA 53 Cb 0.03 -4.14 -0.01 0.00 0.00 0.00 0.00 23.12 19.00 2jmk s ALA 53 CO 0.36 -3.10 -0.24 0.50 0.00 0.00 0.00 175.76 173.28 2jmk s ARG 54 N 5.79 2.76 -0.85 0.00 6.06 -1.26 -4.28 118.95 127.17 2jmk s ARG 54 Ca 0.55 -0.89 -0.03 0.00 -2.50 0.00 0.00 55.73 52.86 2jmk s ARG 54 Cb -0.12 -2.21 0.21 0.00 0.06 0.00 0.00 34.95 32.90 2jmk s ARG 54 CO 0.24 0.29 0.74 0.95 -2.50 0.00 0.00 175.30 175.02 2jmk s THR 55 N 0.07 4.44 -0.08 4.11 -4.23 -1.26 -4.86 115.64 113.83 2jmk s THR 55 Ca -0.11 -3.57 -0.08 0.00 -1.18 0.00 0.00 61.69 56.75 2jmk s THR 55 Cb -0.16 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 69.89 2jmk s THR 55 CO 0.06 -1.05 -0.15 -0.67 -0.54 0.00 0.00 174.62 172.27 2jmk n ASP 56 N 2.68 0.90 -3.59 3.99 -0.08 -1.26 -4.97 116.55 114.22 2jmk n ASP 56 Ca 0.19 0.20 -0.27 0.00 -1.51 0.00 0.00 54.79 53.39 2jmk n ASP 56 Cb 0.38 -0.62 -0.16 0.00 2.34 0.00 0.00 41.12 43.06 2jmk n ASP 56 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2jmk s GLU 57 N -1.85 0.14 -0.22 -0.67 0.41 -1.26 -5.12 118.70 110.13 2jmk s GLU 57 Ca -0.13 -0.29 -0.06 0.00 -0.41 0.00 0.00 54.97 54.08 2jmk s GLU 57 Cb 0.02 -1.58 -0.03 0.00 -1.78 0.00 0.00 34.13 30.77 2jmk s GLU 57 CO 0.19 -0.81 0.03 0.42 -0.49 0.00 0.00 175.26 174.59 2jmk s ILE 58 N 2.10 4.12 0.26 -1.63 1.01 -1.26 -5.10 121.20 120.70 2jmk s ILE 58 Ca 0.05 -0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.52 2jmk s ILE 58 Cb -0.16 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 2jmk s ILE 58 CO -0.20 0.39 0.20 -0.04 0.00 0.00 0.00 174.94 175.28 2jmk s MET 59 N 1.28 2.88 0.51 2.79 -1.94 -1.26 -5.02 119.30 118.54 2jmk s MET 59 Ca 0.04 -1.10 0.29 0.00 -1.71 0.00 0.00 55.69 53.22 2jmk s MET 59 Cb -0.15 -2.54 1.23 0.00 2.01 0.00 0.00 34.83 35.39 2jmk s MET 59 CO 0.02 0.37 1.95 -1.00 -0.01 0.00 0.00 175.02 176.34 2jmk h PRO 60 N 1.48 0.00 0.00 2.03 0.13 -2.02 -2.83 132.00 130.79 2jmk h PRO 60 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2jmk h PRO 60 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2jmk h PRO 60 CO 0.60 0.11 -0.15 0.93 -0.23 0.00 0.00 178.00 179.27 2jmk h GLU 61 N 0.00 0.00 -6.51 0.86 4.39 -1.95 -3.44 114.58 107.93 2jmk h GLU 61 Ca -0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.09 2jmk h GLU 61 Cb 0.57 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 29.31 2jmk h GLU 61 CO 0.01 0.15 0.43 -3.47 -1.16 0.00 0.00 179.01 174.97 2jmk n ASP 62 N -3.88 2.11 -4.22 1.42 -0.08 -1.07 -4.18 116.55 106.66 2jmk n ASP 62 Ca -0.02 1.15 -0.21 0.00 -1.51 0.00 0.00 54.79 54.21 2jmk n ASP 62 Cb 0.24 -1.35 -0.12 0.00 2.34 0.00 0.00 41.12 42.23 2jmk n ASP 62 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2jmk s LYS 63 N -0.70 0.95 0.37 -0.67 2.20 -0.28 -4.97 119.74 116.64 2jmk s LYS 63 Ca 0.67 -1.04 -0.27 0.00 -0.36 0.00 0.00 55.97 54.97 2jmk s LYS 63 Cb -0.71 -1.07 -0.09 0.00 -1.51 0.00 0.00 37.83 34.45 2jmk s LYS 63 CO 0.53 0.24 1.25 0.99 -0.36 0.00 0.00 175.35 178.00 2jmk s THR 64 N -1.22 2.86 -0.02 3.43 2.01 -1.26 -1.20 115.64 120.24 2jmk s THR 64 Ca 0.02 0.80 0.04 0.00 0.31 0.00 0.00 61.69 62.85 2jmk s THR 64 Cb -0.10 -3.48 -0.06 0.00 0.01 0.00 0.00 72.50 68.87 2jmk s THR 64 CO 0.03 0.14 0.06 0.55 -0.69 0.00 0.00 174.62 174.70 2jmk n VAL 65 N 0.42 0.13 0.00 3.82 3.14 0.94 -4.77 118.33 122.01 2jmk n VAL 65 Ca 0.02 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 2jmk n VAL 65 Cb 0.44 -0.22 0.00 0.00 -1.06 0.00 0.00 33.84 33.00 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 2.50 1.58 3.06 7.55 0.00 -1.26 -1.39 105.19 117.23 2jmk n GLY 66 Ca -0.04 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 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 0.60 -0.18 1.61 -0.12 0.82 -1.21 117.98 117.51 2jmk s PHE 67 Ca 0.00 -0.61 -0.01 0.00 -0.05 0.00 0.00 56.93 56.26 2jmk s PHE 67 Cb 0.00 -0.37 0.05 0.00 -0.63 0.00 0.00 43.02 42.07 2jmk s PHE 67 CO 0.00 -0.14 -0.03 0.08 -0.05 0.00 0.00 175.22 175.09 2jmk s VAL 68 N -1.92 0.96 -0.27 -2.49 1.01 -0.08 -1.07 120.40 116.55 2jmk s VAL 68 Ca -0.07 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.08 2jmk s VAL 68 Cb -0.06 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 2jmk s VAL 68 CO -0.01 0.02 0.59 -0.69 0.00 0.00 0.00 175.10 175.00 2jmk s VAL 69 N 1.68 5.01 -0.22 2.92 1.01 0.85 -0.88 120.40 130.77 2jmk s VAL 69 Ca -0.00 0.99 -0.01 0.00 0.00 0.00 0.00 61.98 62.96 2jmk s VAL 69 Cb -0.16 -3.91 0.06 0.00 0.00 0.00 0.00 36.38 32.37 2jmk s VAL 69 CO -0.07 0.02 -0.01 -0.69 0.00 0.00 0.00 175.10 174.35 2jmk s VAL 70 N 2.45 1.03 -0.42 2.92 1.01 0.93 -0.97 120.40 127.36 2jmk s VAL 70 Ca 0.24 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.35 2jmk s VAL 70 Cb -0.15 -1.42 0.12 0.00 0.00 0.00 0.00 36.38 34.92 2jmk s VAL 70 CO 0.09 -0.16 0.17 0.20 0.00 0.00 0.00 175.10 175.41 2jmk s ASN 71 N 1.62 4.19 0.57 3.32 0.01 -0.21 -0.12 114.94 124.31 2jmk s ASN 71 Ca -0.03 -2.45 0.28 0.00 -0.71 0.00 0.00 52.86 49.94 2jmk s ASN 71 Cb -0.18 -1.33 1.68 0.00 0.41 0.00 0.00 41.25 41.83 2jmk s ASN 71 CO -0.07 -0.31 2.21 0.00 -1.51 0.00 0.00 177.10 177.41 2jmk h ALA 72 N 7.11 1.53 0.27 0.60 0.00 -0.76 0.21 119.26 128.21 2jmk h ALA 72 Ca -0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2jmk h ALA 72 Cb 0.95 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2jmk h ALA 72 CO 0.55 0.04 -0.14 0.38 0.00 0.00 0.00 179.25 180.08 2jmk h ASP 73 N 0.00 -0.34 -0.68 0.00 2.03 -1.76 -2.85 116.42 112.82 2jmk h ASP 73 Ca -0.00 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 2jmk h ASP 73 Cb 0.07 0.09 0.00 0.00 -0.83 0.00 0.00 39.33 38.67 2jmk h ASP 73 CO 0.00 -0.24 0.00 0.29 -1.03 0.00 0.00 179.24 178.27 2jmk n LYS 74 N -5.26 2.61 -3.84 4.15 5.02 -1.03 -4.90 118.16 114.91 2jmk n LYS 74 Ca -0.10 -2.50 -0.25 0.00 -2.02 0.00 0.00 58.31 53.45 2jmk n LYS 74 Cb 0.18 -1.54 0.01 0.00 -0.02 0.00 0.00 35.03 33.66 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 1.54 -4.42 -4.20 1.97 5.02 0.59 -4.96 118.16 113.69 2jmk n LYS 75 Ca 0.23 0.54 -0.34 0.00 -2.02 0.00 0.00 58.31 56.72 2jmk n LYS 75 Cb 0.59 -5.02 -0.14 0.00 -0.02 0.00 0.00 35.03 30.44 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 -6.88 2.91 -0.12 -0.35 1.43 -0.38 -3.90 118.68 111.38 2jmk s LEU 76 Ca 0.14 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 52.90 2jmk s LEU 76 Cb -0.07 -1.71 0.02 0.00 0.03 0.00 0.00 46.19 44.46 2jmk s LEU 76 CO 0.84 0.06 -0.10 -0.04 0.23 0.00 0.00 176.35 177.34 2jmk s MET 77 N 1.01 1.79 -0.03 1.70 -1.94 0.86 -1.05 119.30 121.65 2jmk s MET 77 Ca 0.00 -0.36 -0.01 0.00 -1.71 0.00 0.00 55.69 53.61 2jmk s MET 77 Cb -0.15 -1.76 0.02 0.00 2.01 0.00 0.00 34.83 34.95 2jmk s MET 77 CO -0.00 -0.25 0.07 -1.12 -0.01 0.00 0.00 175.02 173.70 2jmk s SER 78 N 1.62 -0.03 -0.05 3.03 0.01 -0.14 -0.29 113.70 117.86 2jmk s SER 78 Ca 0.05 0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.46 2jmk s SER 78 Cb -0.13 0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.18 2jmk s SER 78 CO -0.09 -0.08 -0.11 0.68 0.41 0.00 0.00 173.24 174.05 2jmk s VAL 79 N 0.59 1.00 -0.26 3.43 -7.23 -0.14 -0.10 120.40 117.68 2jmk s VAL 79 Ca -0.05 -0.43 -0.03 0.00 -1.81 0.00 0.00 61.98 59.67 2jmk s VAL 79 Cb -0.07 -0.91 0.11 0.00 0.56 0.00 0.00 36.38 36.08 2jmk s VAL 79 CO -0.02 0.32 0.22 -0.44 -0.31 0.00 0.00 175.10 174.87 2jmk s SER 80 N 0.48 2.09 -0.03 4.85 0.01 -0.23 -0.92 113.70 119.95 2jmk s SER 80 Ca -0.10 -0.73 -0.16 0.00 1.31 0.00 0.00 55.95 56.27 2jmk s SER 80 Cb -0.13 0.22 0.03 0.00 0.21 0.00 0.00 66.02 66.35 2jmk s SER 80 CO 0.02 -0.38 0.34 0.72 0.41 0.00 0.00 173.24 174.35 2jmk s PHE 81 N 2.28 -0.24 0.05 2.43 -0.71 -1.26 -0.13 117.98 120.40 2jmk s PHE 81 Ca 0.08 0.41 0.00 0.00 -1.04 0.00 0.00 56.93 56.38 2jmk s PHE 81 Cb -0.15 0.12 -0.00 0.00 -1.21 0.00 0.00 43.02 41.78 2jmk s PHE 81 CO -0.27 -0.38 0.00 0.45 -1.34 0.00 0.00 175.22 173.68 2jmk n SER 82 N 1.43 1.84 -3.00 1.98 2.88 -0.49 -4.61 113.62 113.66 2jmk n SER 82 Ca -0.20 -1.21 -0.13 0.00 -1.33 0.00 0.00 58.87 55.99 2jmk n SER 82 Cb 0.56 0.05 0.07 0.00 -0.75 0.00 0.00 64.21 64.14 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 -1.28 -3.59 -2.49 -3.46 8.00 -1.26 -4.86 116.55 107.61 2jmk n ASP 83 Ca -0.02 -0.55 -0.12 0.00 0.71 0.00 0.00 54.79 54.81 2jmk n ASP 83 Cb 0.06 -4.39 -0.04 0.00 -0.02 0.00 0.00 41.12 36.73 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 -3.34 0.00 -3.75 0.53 -5.35 -1.26 -5.02 119.36 101.17 2jmk n ILE 84 Ca -0.17 -1.40 -0.28 0.00 -0.27 0.00 0.00 62.75 60.63 2jmk n ILE 84 Cb 0.62 0.63 -0.04 0.00 -1.74 0.00 0.00 39.64 39.12 2jmk n ILE 84 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2jmk s ASP 85 N -2.39 6.40 0.25 7.28 1.01 -1.26 -5.01 116.67 122.95 2jmk s ASP 85 Ca 0.19 0.39 -0.02 0.00 0.71 0.00 0.00 52.55 53.82 2jmk s ASP 85 Cb 0.01 -2.01 0.29 0.00 1.01 0.00 0.00 42.92 42.23 2jmk s ASP 85 CO 0.14 0.01 1.72 1.05 0.21 0.00 0.00 175.17 178.30 2jmk h GLU 86 N 2.32 0.78 -0.42 8.23 4.11 -2.02 -2.95 114.58 124.63 2jmk h GLU 86 Ca -0.47 -0.24 -0.12 0.00 0.07 0.00 0.00 59.36 58.60 2jmk h GLU 86 Cb 1.18 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2jmk h GLU 86 CO 0.70 0.83 -0.21 -0.91 0.07 0.00 0.00 179.01 179.49 2jmk h ASN 87 N 0.71 0.90 -0.24 3.06 2.35 -2.03 -2.82 115.58 117.52 2jmk h ASN 87 Ca 0.13 -0.41 0.07 0.00 -0.55 0.00 0.00 56.30 55.54 2jmk h ASN 87 Cb 0.54 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2jmk h ASN 87 CO 0.03 1.11 0.21 -0.03 -1.65 0.00 0.00 177.43 177.10 2jmk h MET 88 N 0.70 0.00 -0.05 0.81 4.05 -1.93 0.24 114.93 118.75 2jmk h MET 88 Ca 0.09 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.53 2jmk h MET 88 Cb 0.77 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.57 2jmk h MET 88 CO 0.06 0.00 0.05 -0.22 0.23 0.00 0.00 176.91 177.03 2jmk h LYS 89 N 0.00 0.00 0.32 0.39 3.64 -1.39 -0.43 116.57 119.10 2jmk h LYS 89 Ca 0.12 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 2jmk h LYS 89 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2jmk h LYS 89 CO -0.00 0.00 -0.15 -0.22 -2.27 0.00 0.00 179.45 176.81 2jmk h LYS 90 N 0.00 -0.41 -0.31 1.90 1.63 -1.08 0.11 116.57 118.40 2jmk h LYS 90 Ca 0.02 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.78 2jmk h LYS 90 Cb 0.12 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 2jmk h LYS 90 CO -0.00 -0.08 -0.12 -0.24 -3.45 0.00 0.00 179.45 175.56 2jmk h VAL 91 N -0.85 1.23 -0.15 2.00 3.04 -1.58 -0.65 116.25 119.29 2jmk h VAL 91 Ca -0.04 -1.04 -0.07 0.00 -1.01 0.00 0.00 66.70 64.54 2jmk h VAL 91 Cb 0.52 1.13 -0.00 0.00 -2.01 0.00 0.00 31.29 30.93 2jmk h VAL 91 CO 0.07 0.34 -0.19 0.40 -1.01 0.00 0.00 177.57 177.18 2jmk h ILE 92 N 0.49 1.35 -0.46 3.17 2.04 -1.11 -1.19 117.51 121.80 2jmk h ILE 92 Ca 0.09 -1.39 -0.09 0.00 1.00 0.00 0.00 64.86 64.47 2jmk h ILE 92 Cb 0.50 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 2jmk h ILE 92 CO 0.03 0.41 -0.08 0.11 0.00 0.00 0.00 178.15 178.62 2jmk h LYS 93 N 0.03 0.82 -0.00 2.37 1.57 -0.66 -0.27 116.57 120.43 2jmk h LYS 93 Ca 0.02 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2jmk h LYS 93 Cb 0.74 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 2jmk h LYS 93 CO 0.05 0.88 -0.00 0.00 -0.57 0.00 0.00 179.45 179.80 2jmk h ALA 94 N 1.16 0.00 -0.55 3.86 0.00 -1.11 0.17 119.26 122.79 2jmk h ALA 94 Ca 0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2jmk h ALA 94 Cb 0.57 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2jmk h ALA 94 CO 0.03 -0.30 0.13 1.15 0.00 0.00 0.00 179.25 180.26 2jmk h THR 95 N -0.40 1.23 -0.00 0.00 2.02 -1.17 -0.26 112.91 114.32 2jmk h THR 95 Ca 0.00 -0.84 -0.17 0.00 0.77 0.00 0.00 66.41 66.17 2jmk h THR 95 Cb 0.40 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2jmk h THR 95 CO 0.00 0.31 -0.80 0.00 0.37 0.00 0.00 175.52 175.40 2jmk h ALA 96 N 1.32 0.67 -0.04 6.16 0.00 -1.02 -3.23 119.26 123.11 2jmk h ALA 96 Ca 0.18 -0.71 -0.21 0.00 0.00 0.00 0.00 54.91 54.17 2jmk h ALA 96 Cb 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jmk h ALA 96 CO 0.00 0.95 -0.85 1.49 0.00 0.00 0.00 179.25 180.85 2jmk h GLU 97 N 0.03 0.44 -0.44 0.00 4.81 -0.25 -3.13 114.58 116.05 2jmk h GLU 97 Ca -0.02 -0.42 0.13 0.00 -0.13 0.00 0.00 59.36 58.92 2jmk h GLU 97 Cb 1.41 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.87 2jmk h GLU 97 CO 0.11 1.07 0.39 0.87 -0.73 0.00 0.00 179.01 180.71 2jmk h LYS 98 N 0.27 0.00 -0.09 1.92 1.79 -1.07 0.14 116.57 119.54 2jmk h LYS 98 Ca -0.06 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.44 2jmk h LYS 98 Cb 1.46 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.10 2jmk h LYS 98 CO 0.15 0.00 0.15 0.74 -1.08 0.00 0.00 179.45 179.41 2jmk h PHE 99 N 0.00 0.00 -0.94 -1.35 -1.00 -1.65 -1.59 116.94 110.42 2jmk h PHE 99 Ca 0.21 0.00 0.26 0.00 2.81 0.00 0.00 57.97 61.25 2jmk h PHE 99 Cb 0.98 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.49 2jmk h PHE 99 CO 0.00 0.00 0.67 -0.22 -1.61 0.00 0.00 178.31 177.15 2jmk h LYS 100 N 0.00 0.08 -0.95 1.51 3.64 -0.79 0.19 116.57 120.25 2jmk h LYS 100 Ca 0.04 -0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.61 2jmk h LYS 100 Cb 0.34 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.06 2jmk h LYS 100 CO -0.00 0.05 0.61 -0.91 -2.27 0.00 0.00 179.45 176.93 2jmk h ASN 101 N 0.08 0.61 0.00 4.20 -0.26 -1.50 -2.16 115.58 116.55 2jmk h ASN 101 Ca 0.46 0.06 -0.04 0.00 -0.56 0.00 0.00 56.30 56.22 2jmk h ASN 101 Cb 1.69 -0.05 -0.08 0.00 -1.06 0.00 0.00 38.32 38.82 2jmk h ASN 101 CO -0.05 0.25 -0.48 1.17 -1.06 0.00 0.00 177.43 177.26 2jmk n LYS 102 N -4.62 0.95 -2.66 0.81 3.00 0.42 -4.91 118.16 111.16 2jmk n LYS 102 Ca 0.21 -2.52 -0.03 0.00 -0.00 0.00 0.00 58.31 55.97 2jmk n LYS 102 Cb 0.60 -1.09 0.04 0.00 0.00 0.00 0.00 35.03 34.58 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 -0.70 -1.89 0.45 3.14 0.00 0.19 -4.87 105.19 101.50 2jmk n GLY 103 Ca 0.13 1.43 0.27 0.00 0.00 0.00 0.00 46.02 47.85 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 4.04 0.03 -0.52 1.61 -0.00 -1.79 -3.31 116.94 117.01 2jmk h PHE 104 Ca -0.02 0.00 -0.45 0.00 -0.00 0.00 0.00 57.97 57.51 2jmk h PHE 104 Cb 1.18 -0.01 -0.04 0.00 -0.00 0.00 0.00 35.95 37.07 2jmk h PHE 104 CO -0.11 0.01 1.48 1.17 -0.00 0.00 0.00 178.31 180.86 2jmk n LYS 105 N -4.30 2.02 -5.23 6.09 3.00 -1.25 -4.90 118.16 113.59 2jmk n LYS 105 Ca 0.17 -2.64 -0.32 0.00 -0.00 0.00 0.00 58.31 55.53 2jmk n LYS 105 Cb 0.90 -3.62 -0.16 0.00 0.00 0.00 0.00 35.03 32.16 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 8.82 2.16 -0.04 3.15 0.11 -1.25 -0.09 120.40 133.26 2jmk s VAL 106 Ca 0.64 -1.04 -0.04 0.00 -2.93 0.00 0.00 61.98 58.61 2jmk s VAL 106 Cb 0.02 -1.78 0.01 0.00 -1.53 0.00 0.00 36.38 33.09 2jmk s VAL 106 CO 0.12 0.57 0.11 -1.61 -3.33 0.00 0.00 175.10 170.96 2jmk s GLU 107 N -0.25 0.15 -0.02 1.54 2.02 0.61 -5.00 118.70 117.75 2jmk s GLU 107 Ca -0.01 0.12 -0.00 0.00 0.02 0.00 0.00 54.97 55.10 2jmk s GLU 107 Cb -0.13 0.07 0.02 0.00 0.10 0.00 0.00 34.13 34.19 2jmk s GLU 107 CO 0.03 -0.02 0.03 0.95 0.02 0.00 0.00 175.26 176.27 2jmk s THR 108 N -0.03 -0.04 0.43 3.63 -4.23 -1.26 -0.97 115.64 113.17 2jmk s THR 108 Ca -0.01 0.13 0.07 0.00 -1.18 0.00 0.00 61.69 60.70 2jmk s THR 108 Cb -0.01 -0.07 -0.06 0.00 1.34 0.00 0.00 72.50 73.71 2jmk s THR 108 CO 0.00 0.05 0.11 -0.62 -0.54 0.00 0.00 174.62 173.62 2jmk s ASP 109 N 0.65 4.20 0.00 3.99 2.15 -0.09 -4.98 116.67 122.59 2jmk s ASP 109 Ca -0.05 -1.25 0.28 0.00 0.43 0.00 0.00 52.55 51.95 2jmk s ASP 109 Cb -0.08 -0.33 0.97 0.00 -0.30 0.00 0.00 42.92 43.18 2jmk s ASP 109 CO -0.02 -0.56 1.70 1.15 -0.17 0.00 0.00 175.17 177.27