#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jka s VAL 2 N 0.00 4.63 0.52 3.15 1.01 -1.26 -1.73 120.40 126.71 1jka s VAL 2 Ca 0.00 -0.46 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 1jka s VAL 2 Cb 0.00 -3.39 -0.07 0.00 0.00 0.00 0.00 36.38 32.92 1jka s VAL 2 CO 0.00 0.03 1.03 -0.36 0.00 0.00 0.00 175.10 175.80 1jka s PHE 3 N 1.61 3.09 0.40 5.22 0.40 -0.25 -5.01 117.98 123.44 1jka s PHE 3 Ca 0.04 1.55 -0.12 0.00 -0.60 0.00 0.00 56.93 57.80 1jka s PHE 3 Cb -0.17 -2.99 -0.07 0.00 0.51 0.00 0.00 43.02 40.30 1jka s PHE 3 CO 0.06 -0.78 0.78 -1.21 0.70 0.00 0.00 175.22 174.78 1jka s GLU 4 N -3.59 3.85 0.11 0.44 0.41 -1.26 -4.88 118.70 113.77 1jka s GLU 4 Ca 0.64 0.56 -0.33 0.00 -0.41 0.00 0.00 54.97 55.44 1jka s GLU 4 Cb -0.15 -2.38 -0.12 0.00 -1.78 0.00 0.00 34.13 29.71 1jka s GLU 4 CO 0.26 -0.01 1.57 -0.09 -0.49 0.00 0.00 175.26 176.50 1jka h ARG 5 N 1.46 -0.66 0.00 1.61 2.43 -1.96 -1.53 114.38 115.73 1jka h ARG 5 Ca -0.47 0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.65 1jka h ARG 5 Cb 1.18 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 1jka h ARG 5 CO 0.64 -0.44 -0.45 0.00 -1.51 0.00 0.00 179.97 178.21 1jka h GLU 7 N 0.00 0.53 -0.51 0.00 4.81 -1.88 -1.38 114.58 116.16 1jka h GLU 7 Ca -0.00 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 1jka h GLU 7 Cb 0.86 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1jka h GLU 7 CO 0.06 0.39 -0.12 1.25 -0.73 0.00 0.00 179.01 179.86 1jka h LEU 8 N 0.52 0.99 -0.57 1.64 5.85 -1.04 -1.53 115.31 121.16 1jka h LEU 8 Ca 0.14 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1jka h LEU 8 Cb -0.01 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 1jka h LEU 8 CO -0.03 1.12 0.37 0.00 -0.34 0.00 0.00 178.44 179.56 1jka h ALA 9 N 0.90 0.73 -0.40 1.25 0.00 -1.00 0.28 119.26 121.03 1jka h ALA 9 Ca 0.13 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1jka h ALA 9 Cb 0.68 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1jka h ALA 9 CO 0.05 0.14 -0.27 0.00 0.00 0.00 0.00 179.25 179.17 1jka h ARG 10 N 0.75 0.83 -0.06 0.00 3.08 -1.17 -1.66 114.38 116.16 1jka h ARG 10 Ca 0.22 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1jka h ARG 10 Cb -0.06 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 1jka h ARG 10 CO -0.06 1.00 0.04 1.15 -1.07 0.00 0.00 179.97 181.02 1jka h THR 11 N 0.71 1.05 -0.65 2.04 2.02 -0.76 -1.31 112.91 116.01 1jka h THR 11 Ca 0.09 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1jka h THR 11 Cb 0.81 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 1jka h THR 11 CO 0.07 0.04 0.33 -0.07 0.37 0.00 0.00 175.52 176.26 1jka h LEU 12 N 0.04 0.82 -0.25 2.58 3.38 -0.84 -2.06 115.31 118.99 1jka h LEU 12 Ca 0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1jka h LEU 12 Cb 0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1jka h LEU 12 CO -0.00 0.68 0.10 0.50 0.09 0.00 0.00 178.44 179.81 1jka h LYS 13 N 0.91 0.37 -0.44 1.13 3.64 -1.00 -1.74 116.57 119.45 1jka h LYS 13 Ca 0.23 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1jka h LYS 13 Cb 0.06 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1jka h LYS 13 CO -0.03 0.40 0.29 0.00 -2.27 0.00 0.00 179.45 177.84 1jka h ARG 14 N 0.25 0.45 -0.10 1.90 3.08 -0.85 -1.64 114.38 117.48 1jka h ARG 14 Ca 0.08 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1jka h ARG 14 Cb 0.17 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1jka h ARG 14 CO -0.01 0.30 0.00 1.28 -1.07 0.00 0.00 179.97 180.47 1jka n LEU 15 N -4.48 0.66 0.00 3.04 4.77 -0.81 -4.90 117.00 115.28 1jka n LEU 15 Ca 0.05 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1jka n LEU 15 Cb 0.16 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1jka n LEU 15 CO 0.35 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1jka n GLY 16 N 0.81 0.41 0.18 -0.72 0.00 -0.61 -4.97 105.19 100.28 1jka n GLY 16 Ca 0.10 -1.00 0.10 0.00 0.00 0.00 0.00 46.02 45.22 1jka n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1jka h MET 17 N 0.00 0.00 -6.25 1.61 2.86 -1.50 -3.39 114.93 108.26 1jka h MET 17 Ca 0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 1jka h MET 17 Cb 0.32 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1jka h MET 17 CO 0.00 0.07 1.27 0.34 1.06 0.00 0.00 176.91 179.65 1jka s ASP 18 N -6.02 5.84 0.00 1.22 2.15 -1.26 -2.33 116.67 116.27 1jka s ASP 18 Ca 0.04 1.14 0.00 0.00 0.43 0.00 0.00 52.55 54.17 1jka s ASP 18 Cb 0.07 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1jka s ASP 18 CO 0.71 -1.78 0.00 0.61 -0.17 0.00 0.00 175.17 174.55 1jka n GLY 19 N 5.43 0.73 3.67 2.66 0.00 0.91 -4.90 105.19 113.68 1jka n GLY 19 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1jka n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jka s TYR 20 N -2.59 1.64 -1.44 1.61 5.04 -0.99 -1.37 117.35 119.25 1jka s TYR 20 Ca 0.00 -0.19 -0.07 0.00 -2.44 0.00 0.00 57.07 54.37 1jka s TYR 20 Cb 0.00 -4.13 0.03 0.00 0.35 0.00 0.00 41.96 38.21 1jka s TYR 20 CO 0.00 -4.93 0.58 0.54 -1.34 0.00 0.00 175.55 170.40 1jka n ARG 21 N 7.07 -4.38 -1.02 4.97 5.12 -1.26 -1.49 116.66 125.66 1jka n ARG 21 Ca 0.19 0.72 -0.01 0.00 -1.93 0.00 0.00 57.85 56.82 1jka n ARG 21 Cb 0.41 -5.53 -0.00 0.00 -1.16 0.00 0.00 32.46 26.18 1jka n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jka n GLY 22 N -1.40 0.46 3.54 -0.13 0.00 -0.47 -5.01 105.19 102.18 1jka n GLY 22 Ca -0.07 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 1jka n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jka s ILE 23 N -1.89 5.05 0.73 -0.61 1.01 -0.56 -4.90 121.20 120.02 1jka s ILE 23 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 60.65 60.52 1jka s ILE 23 Cb 0.00 -3.44 0.03 0.00 0.01 0.00 0.00 42.46 39.07 1jka s ILE 23 CO 0.00 0.22 1.11 -0.94 0.00 0.00 0.00 174.94 175.32 1jka s SER 24 N 1.71 4.68 0.24 3.58 1.04 -1.26 -0.07 113.70 123.62 1jka s SER 24 Ca 0.07 1.95 -0.06 0.00 0.48 0.00 0.00 55.95 58.39 1jka s SER 24 Cb -0.16 -2.54 0.32 0.00 0.10 0.00 0.00 66.02 63.73 1jka s SER 24 CO 0.09 -1.92 1.86 0.25 0.98 0.00 0.00 173.24 174.50 1jka h LEU 25 N -0.61 0.87 -1.16 2.42 5.85 -1.91 -1.87 115.31 118.90 1jka h LEU 25 Ca -0.45 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.34 1jka h LEU 25 Cb 1.24 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 1jka h LEU 25 CO 0.52 0.57 0.58 0.00 -0.34 0.00 0.00 178.44 179.77 1jka h ALA 26 N 1.39 1.52 -0.56 1.25 0.00 -1.92 0.02 119.26 120.96 1jka h ALA 26 Ca 0.37 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 1jka h ALA 26 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1jka h ALA 26 CO -0.16 0.35 0.04 -0.91 0.00 0.00 0.00 179.25 178.57 1jka h ASN 27 N 1.02 0.94 -0.64 0.00 2.35 -1.65 -0.30 115.58 117.29 1jka h ASN 27 Ca 0.38 -0.29 -0.07 0.00 -0.55 0.00 0.00 56.30 55.77 1jka h ASN 27 Cb 0.18 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 1jka h ASN 27 CO -0.14 1.00 0.12 -0.50 -1.65 0.00 0.00 177.43 176.26 1jka h TRP 28 N 0.85 1.12 -0.42 1.19 4.06 -1.11 -2.21 115.95 119.42 1jka h TRP 28 Ca 0.16 -0.15 -0.03 0.00 2.06 0.00 0.00 58.89 60.93 1jka h TRP 28 Cb 0.49 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 28.33 1jka h TRP 28 CO 0.04 0.94 0.13 0.52 -3.56 0.00 0.00 178.44 176.50 1jka h MET 29 N 0.97 0.65 -0.83 0.49 2.86 -0.79 -1.09 114.93 117.19 1jka h MET 29 Ca 0.20 -0.14 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 1jka h MET 29 Cb 0.41 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.92 1jka h MET 29 CO 0.01 0.65 0.53 0.00 1.06 0.00 0.00 176.91 179.15 1jka h LEU 31 N 1.00 -0.19 -1.11 0.00 5.85 -1.01 -2.26 115.31 117.60 1jka h LEU 31 Ca 0.34 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1jka h LEU 31 Cb 0.06 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1jka h LEU 31 CO -0.13 0.02 0.60 0.00 -0.34 0.00 0.00 178.44 178.59 1jka h ALA 32 N 0.41 1.38 0.19 1.25 0.00 -1.01 0.15 119.26 121.64 1jka h ALA 32 Ca -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1jka h ALA 32 Cb 0.31 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1jka h ALA 32 CO 0.04 0.55 -0.09 -0.22 0.00 0.00 0.00 179.25 179.53 1jka h LYS 33 N 1.20 -0.25 0.00 0.00 3.64 -1.04 -2.30 116.57 117.82 1jka h LYS 33 Ca 0.35 0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.63 1jka h LYS 33 Cb -0.07 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1jka h LYS 33 CO -0.09 -0.04 -0.56 -1.49 -2.27 0.00 0.00 179.45 175.00 1jka h TRP 34 N -0.43 0.00 0.00 1.91 4.06 -1.20 0.12 115.95 120.41 1jka h TRP 34 Ca -0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.92 1jka h TRP 34 Cb 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.49 1jka h TRP 34 CO -0.01 0.56 -0.90 0.38 -3.56 0.00 0.00 178.44 174.90 1jka h ASP 35 N 0.00 0.00 0.00 -3.49 3.04 -0.74 -3.42 116.42 111.81 1jka h ASP 35 Ca -0.01 -0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.75 1jka h ASP 35 Cb 1.18 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.47 1jka h ASP 35 CO 0.07 0.02 0.00 -1.54 -2.04 0.00 0.00 179.24 175.75 1jka n SER 36 N -2.61 0.00 -1.22 4.15 3.41 -0.89 -4.85 113.62 111.61 1jka n SER 36 Ca 0.01 -0.07 -0.10 0.00 -0.26 0.00 0.00 58.87 58.44 1jka n SER 36 Cb 0.53 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1jka n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jka n GLY 37 N 0.00 -0.02 2.39 5.00 0.00 0.40 -2.83 105.19 110.13 1jka n GLY 37 Ca 0.00 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 1jka n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jka n TYR 38 N -3.99 -0.93 -3.82 1.61 4.01 -1.09 -4.81 117.16 108.14 1jka n TYR 38 Ca -0.11 0.07 -0.36 0.00 -0.16 0.00 0.00 57.90 57.34 1jka n TYR 38 Cb 0.59 -3.49 -0.13 0.00 -0.31 0.00 0.00 39.34 35.99 1jka n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1jka s ASN 39 N -2.31 4.77 0.52 7.72 2.47 -1.13 -1.09 114.94 125.89 1jka s ASN 39 Ca 0.04 -0.39 0.31 0.00 0.42 0.00 0.00 52.86 53.24 1jka s ASN 39 Cb -0.02 -1.83 1.10 0.00 -1.45 0.00 0.00 41.25 39.05 1jka s ASN 39 CO 0.05 -0.06 1.89 0.71 -3.72 0.00 0.00 177.10 175.96 1jka h THR 40 N 5.68 0.04 -0.01 -5.21 1.35 -1.66 -3.02 112.91 110.08 1jka h THR 40 Ca -0.38 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1jka h THR 40 Cb 1.16 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1jka h THR 40 CO 0.59 0.02 -0.14 0.54 -0.25 0.00 0.00 175.52 176.27 1jka n ARG 41 N -3.11 1.30 -1.76 4.72 1.74 -1.26 -4.08 116.66 114.21 1jka n ARG 41 Ca 0.01 -0.81 -0.42 0.00 -0.77 0.00 0.00 57.85 55.87 1jka n ARG 41 Cb 0.37 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.31 1jka n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jka s ALA 42 N -2.26 3.79 -0.00 7.54 0.00 -1.15 -4.80 121.76 124.88 1jka s ALA 42 Ca 0.30 1.59 -0.01 0.00 0.00 0.00 0.00 51.96 53.84 1jka s ALA 42 Cb 0.20 -3.66 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 1jka s ALA 42 CO 0.43 -0.98 0.02 0.95 0.00 0.00 0.00 175.76 176.18 1jka s THR 43 N 0.21 0.03 -0.09 0.00 -4.23 -1.26 -0.90 115.64 109.40 1jka s THR 43 Ca 0.65 -0.23 -0.03 0.00 -1.18 0.00 0.00 61.69 60.90 1jka s THR 43 Cb -0.48 -0.11 0.04 0.00 1.34 0.00 0.00 72.50 73.28 1jka s THR 43 CO 0.45 -0.13 0.07 0.20 -0.54 0.00 0.00 174.62 174.68 1jka s ASN 44 N -0.37 1.61 -0.01 3.99 -0.87 -0.72 -4.98 114.94 113.59 1jka s ASN 44 Ca -0.04 -0.19 -0.24 0.00 -1.57 0.00 0.00 52.86 50.82 1jka s ASN 44 Cb -0.03 -0.18 -0.04 0.00 -0.02 0.00 0.00 41.25 40.97 1jka s ASN 44 CO -0.00 -0.29 0.75 -0.47 -2.57 0.00 0.00 177.10 174.52 1jka s TYR 45 N 2.15 3.66 -0.82 2.20 5.04 -1.26 -0.88 117.35 127.43 1jka s TYR 45 Ca 0.04 1.38 -0.12 0.00 -2.44 0.00 0.00 57.07 55.92 1jka s TYR 45 Cb -0.14 -2.83 0.22 0.00 0.35 0.00 0.00 41.96 39.56 1jka s TYR 45 CO -0.05 0.17 0.75 -0.80 -1.34 0.00 0.00 175.55 174.28 1jka s ASN 46 N 0.41 6.63 0.39 4.32 0.01 0.82 -4.92 114.94 122.59 1jka s ASN 46 Ca 0.39 -2.78 0.14 0.00 -0.71 0.00 0.00 52.86 49.90 1jka s ASN 46 Cb -0.19 -2.17 0.97 0.00 0.41 0.00 0.00 41.25 40.27 1jka s ASN 46 CO 0.21 -0.53 1.85 0.00 -1.51 0.00 0.00 177.10 177.12 1jka h ALA 47 N 7.61 2.04 0.10 0.60 0.00 -1.96 0.37 119.26 128.02 1jka h ALA 47 Ca 0.10 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1jka h ALA 47 Cb 1.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1jka h ALA 47 CO 0.76 -0.33 -0.05 0.78 0.00 0.00 0.00 179.25 180.41 1jka h GLY 48 N 0.52 -0.13 -1.75 0.00 0.00 -1.95 -3.25 103.07 96.51 1jka h GLY 48 Ca 0.48 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1jka h GLY 48 CO -0.21 -0.05 0.00 2.09 0.00 0.00 0.00 176.54 178.37 1jka n ASP 49 N -5.09 2.83 -1.96 0.19 5.68 -1.11 -4.99 116.55 112.09 1jka n ASP 49 Ca -0.08 -1.90 -0.16 0.00 -0.50 0.00 0.00 54.79 52.15 1jka n ASP 49 Cb 0.13 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 1jka n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1jka n ARG 50 N 1.21 -1.92 -4.21 0.11 1.74 0.13 -4.78 116.66 108.93 1jka n ARG 50 Ca 0.13 0.76 -0.24 0.00 -0.77 0.00 0.00 57.85 57.72 1jka n ARG 50 Cb 0.54 -5.15 -0.08 0.00 -1.02 0.00 0.00 32.46 26.75 1jka n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1jka s SER 51 N -2.41 4.37 -0.01 0.55 1.04 -1.17 -4.52 113.70 111.56 1jka s SER 51 Ca 0.06 -0.99 0.03 0.00 0.48 0.00 0.00 55.95 55.53 1jka s SER 51 Cb -0.03 -0.55 -0.01 0.00 0.10 0.00 0.00 66.02 65.54 1jka s SER 51 CO 0.07 -0.38 -0.10 -0.89 0.98 0.00 0.00 173.24 172.92 1jka s THR 52 N -2.54 0.82 -0.19 2.02 2.01 -1.26 -0.13 115.64 116.37 1jka s THR 52 Ca 0.38 -0.44 -0.11 0.00 0.31 0.00 0.00 61.69 61.82 1jka s THR 52 Cb 0.01 -0.69 -0.05 0.00 0.01 0.00 0.00 72.50 71.79 1jka s THR 52 CO 0.21 0.23 0.19 -1.81 -0.69 0.00 0.00 174.62 172.76 1jka s ASP 53 N -0.23 6.29 -0.07 3.53 1.01 -0.06 -0.90 116.67 126.23 1jka s ASP 53 Ca 0.04 0.32 0.05 0.00 0.71 0.00 0.00 52.55 53.67 1jka s ASP 53 Cb -0.04 -2.12 -0.01 0.00 1.01 0.00 0.00 42.92 41.75 1jka s ASP 53 CO -0.00 0.14 -0.22 -0.31 0.21 0.00 0.00 175.17 174.99 1jka s TYR 54 N 0.45 2.54 0.00 4.23 1.51 0.18 -1.75 117.35 124.51 1jka s TYR 54 Ca 0.11 -0.64 0.00 0.00 -1.01 0.00 0.00 57.07 55.53 1jka s TYR 54 Cb -0.12 -1.65 0.00 0.00 -0.11 0.00 0.00 41.96 40.09 1jka s TYR 54 CO 0.00 -0.17 0.00 0.41 -1.11 0.00 0.00 175.55 174.69 1jka n GLY 55 N 2.97 -1.76 0.25 0.71 0.00 -0.07 -1.32 105.19 105.96 1jka n GLY 55 Ca -0.18 -1.35 0.08 0.00 0.00 0.00 0.00 46.02 44.58 1jka n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jka h ILE 56 N 0.00 0.95 -0.39 -0.61 2.10 -1.71 -1.69 117.51 116.16 1jka h ILE 56 Ca 0.00 -0.38 0.00 0.00 1.08 0.00 0.00 64.86 65.56 1jka h ILE 56 Cb 0.00 1.21 0.00 0.00 -1.09 0.00 0.00 36.82 36.94 1jka h ILE 56 CO 0.00 0.10 0.00 0.49 -1.08 0.00 0.00 178.15 177.66 1jka n PHE 57 N -4.23 0.78 -4.09 2.19 3.72 -1.26 -4.46 117.46 110.12 1jka n PHE 57 Ca -0.03 -0.62 -0.46 0.00 -0.05 0.00 0.00 57.45 56.29 1jka n PHE 57 Cb 0.18 -0.14 0.02 0.00 -0.94 0.00 0.00 39.48 38.60 1jka n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1jka n GLN 58 N 0.38 -0.22 -2.71 -1.08 1.13 -0.64 -4.87 117.38 109.39 1jka n GLN 58 Ca 0.17 0.03 -0.42 0.00 -1.94 0.00 0.00 57.00 54.84 1jka n GLN 58 Cb 0.64 -2.30 -0.03 0.00 0.11 0.00 0.00 30.24 28.65 1jka n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1jka s ILE 59 N -3.59 4.82 0.22 5.09 1.01 -0.44 -4.41 121.20 123.89 1jka s ILE 59 Ca 0.48 2.03 -0.30 0.00 0.00 0.00 0.00 60.65 62.86 1jka s ILE 59 Cb -0.27 -4.31 -0.08 0.00 0.01 0.00 0.00 42.46 37.81 1jka s ILE 59 CO 0.94 0.07 1.13 0.21 0.00 0.00 0.00 174.94 177.28 1jka s ASN 60 N 1.06 7.22 0.04 3.58 3.84 -1.26 -0.65 114.94 128.77 1jka s ASN 60 Ca 0.49 2.20 0.25 0.00 0.21 0.00 0.00 52.86 56.01 1jka s ASN 60 Cb -0.19 -2.61 1.02 0.00 -0.55 0.00 0.00 41.25 38.91 1jka s ASN 60 CO 0.21 -0.23 1.78 -1.54 -2.79 0.00 0.00 177.10 174.53 1jka n SER 61 N 1.96 0.12 0.11 -4.21 3.41 -0.08 -1.72 113.62 113.21 1jka n SER 61 Ca 0.02 0.52 -0.24 0.00 -0.26 0.00 0.00 58.87 58.90 1jka n SER 61 Cb 0.45 -0.55 -0.15 0.00 -0.26 0.00 0.00 64.21 63.70 1jka n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1jka h ARG 62 N 0.00 0.47 0.00 4.33 2.43 -1.85 -3.42 114.38 116.35 1jka h ARG 62 Ca 0.00 -0.81 -0.35 0.00 -0.81 0.00 0.00 59.98 58.01 1jka h ARG 62 Cb 0.45 0.30 -0.06 0.00 -0.42 0.00 0.00 29.97 30.24 1jka h ARG 62 CO 0.00 1.39 -2.33 0.66 -1.51 0.00 0.00 179.97 178.18 1jka n TYR 63 N -3.70 0.00 -0.10 2.20 4.01 -1.22 -0.04 117.16 118.31 1jka n TYR 63 Ca -0.20 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.34 1jka n TYR 63 Cb 1.08 -0.92 -0.07 0.00 -0.31 0.00 0.00 39.34 39.12 1jka n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1jka n TRP 64 N -3.02 0.00 -4.44 -0.72 7.02 -0.70 -1.61 117.44 113.97 1jka n TRP 64 Ca -0.38 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 55.86 1jka n TRP 64 Cb 1.00 -0.69 -0.10 0.00 -2.42 0.00 0.00 31.31 29.11 1jka n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jka s ASN 66 N -3.56 4.84 0.00 0.00 2.47 -0.09 -4.34 114.94 114.26 1jka s ASN 66 Ca 0.31 -0.16 0.03 0.00 0.42 0.00 0.00 52.86 53.46 1jka s ASN 66 Cb -0.04 -1.81 0.05 0.00 -1.45 0.00 0.00 41.25 38.00 1jka s ASN 66 CO 0.16 0.11 0.75 -0.90 -3.72 0.00 0.00 177.10 173.50 1jka n ASP 67 N 3.93 1.59 0.00 -4.21 5.68 -1.26 -1.11 116.55 121.16 1jka n ASP 67 Ca -0.17 -1.40 0.00 0.00 -0.50 0.00 0.00 54.79 52.72 1jka n ASP 67 Cb 0.52 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1jka n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jka n GLY 68 N 0.08 0.83 0.03 6.12 0.00 -1.26 -4.77 105.19 106.22 1jka n GLY 68 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.07 1jka n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jka n LYS 69 N -2.00 2.22 -3.96 1.61 2.85 -1.26 -5.02 118.16 112.61 1jka n LYS 69 Ca 0.00 -1.65 -0.35 0.00 -1.05 0.00 0.00 58.31 55.25 1jka n LYS 69 Cb 0.00 -1.06 -0.12 0.00 -0.65 0.00 0.00 35.03 33.20 1jka n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1jka s THR 70 N -1.33 4.13 0.34 0.58 2.01 -1.26 -4.97 115.64 115.15 1jka s THR 70 Ca 0.08 -0.25 -0.29 0.00 0.31 0.00 0.00 61.69 61.54 1jka s THR 70 Cb 0.07 -2.89 -0.11 0.00 0.01 0.00 0.00 72.50 69.58 1jka s THR 70 CO 0.01 0.40 1.45 -2.84 -0.69 0.00 0.00 174.62 172.95 1jka s PRO 71 N 1.16 4.19 -1.45 4.92 0.02 -1.26 -3.05 135.00 139.52 1jka s PRO 71 Ca 0.03 2.46 -0.02 0.00 0.02 0.00 0.00 61.00 63.49 1jka s PRO 71 Cb -0.14 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.37 1jka s PRO 71 CO 0.02 -0.45 0.24 0.41 -0.33 0.00 0.00 177.00 176.90 1jka n GLY 72 N 0.89 -0.37 3.77 0.52 0.00 -1.26 -4.90 105.19 103.84 1jka n GLY 72 Ca 0.02 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1jka n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jka s ALA 73 N -2.99 3.18 -0.11 4.61 0.00 -1.17 -4.84 121.76 120.45 1jka s ALA 73 Ca 0.12 1.09 0.06 0.00 0.00 0.00 0.00 51.96 53.24 1jka s ALA 73 Cb -0.05 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.52 1jka s ALA 73 CO 0.15 -0.69 -0.01 0.28 0.00 0.00 0.00 175.76 175.49 1jka n VAL 74 N 0.06 0.71 -3.60 0.00 0.31 0.95 -5.01 118.33 111.74 1jka n VAL 74 Ca 0.04 -0.38 -0.21 0.00 -0.01 0.00 0.00 64.34 63.78 1jka n VAL 74 Cb 0.45 -0.81 0.05 0.00 -0.91 0.00 0.00 33.84 32.62 1jka n VAL 74 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1jka n ASN 75 N -2.54 -2.47 0.26 4.52 5.15 -1.20 -4.89 115.26 114.08 1jka n ASN 75 Ca -0.19 -0.80 0.09 0.00 -0.60 0.00 0.00 54.58 53.08 1jka n ASN 75 Cb 0.80 -4.28 0.65 0.00 -0.53 0.00 0.00 39.78 36.42 1jka n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jka h ALA 76 N 0.75 1.80 -0.00 5.20 0.00 -1.10 -1.06 119.26 124.85 1jka h ALA 76 Ca -0.61 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1jka h ALA 76 Cb 1.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1jka h ALA 76 CO 0.53 0.07 -0.23 0.00 0.00 0.00 0.00 179.25 179.61 1jka n HIS 78 N -1.49 -1.98 -3.94 0.00 -0.00 -0.40 -4.99 115.22 102.42 1jka n HIS 78 Ca 0.06 0.78 -0.10 0.00 -0.00 0.00 0.00 57.72 58.47 1jka n HIS 78 Cb 0.34 -4.22 -0.11 0.00 -0.00 0.00 0.00 29.99 25.99 1jka n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1jka s LEU 79 N -6.48 2.06 0.29 2.41 1.43 -1.26 -5.07 118.68 112.06 1jka s LEU 79 Ca 0.14 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 52.58 1jka s LEU 79 Cb -0.04 0.21 -0.09 0.00 0.03 0.00 0.00 46.19 46.30 1jka s LEU 79 CO 0.81 -0.28 1.03 -0.55 0.23 0.00 0.00 176.35 177.60 1jka s SER 80 N -1.26 7.32 0.60 2.29 0.15 -1.26 -0.92 113.70 120.62 1jka s SER 80 Ca -0.14 2.11 0.37 0.00 0.70 0.00 0.00 55.95 58.99 1jka s SER 80 Cb -0.08 -2.61 1.93 0.00 -1.71 0.00 0.00 66.02 63.54 1jka s SER 80 CO -0.00 -0.09 2.22 0.00 1.20 0.00 0.00 173.24 176.56 1jka h SER 82 N 0.00 0.87 -0.00 0.00 0.87 -1.91 -0.69 113.55 112.68 1jka h SER 82 Ca -0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1jka h SER 82 Cb 0.17 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1jka h SER 82 CO 0.00 0.51 0.01 0.00 -0.53 0.00 0.00 176.83 176.83 1jka h ALA 83 N 1.53 1.21 -0.17 6.23 0.00 -1.67 -1.57 119.26 124.82 1jka h ALA 83 Ca 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1jka h ALA 83 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1jka h ALA 83 CO -0.19 -0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.32 1jka n LEU 84 N -3.37 1.50 -0.42 0.00 4.77 -0.27 -3.67 117.00 115.55 1jka n LEU 84 Ca -0.03 -0.65 0.04 0.00 -0.03 0.00 0.00 56.01 55.34 1jka n LEU 84 Cb 0.09 -0.11 0.10 0.00 -2.33 0.00 0.00 43.42 41.16 1jka n LEU 84 CO 0.23 0.32 0.57 0.18 -1.33 0.00 0.00 177.39 177.36 1jka n LEU 85 N 0.22 2.56 -4.85 2.23 4.77 -0.59 -3.55 117.00 117.80 1jka n LEU 85 Ca 0.15 -1.94 -0.31 0.00 -0.03 0.00 0.00 56.01 53.88 1jka n LEU 85 Cb 0.29 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1jka n LEU 85 CO 0.12 0.64 0.72 -1.10 -1.33 0.00 0.00 177.39 176.43 1jka s GLN 86 N -0.98 3.20 0.20 3.23 -0.21 -1.24 -4.63 119.66 119.23 1jka s GLN 86 Ca 0.15 0.79 0.03 0.00 0.02 0.00 0.00 55.36 56.34 1jka s GLN 86 Cb 0.08 -2.03 0.12 0.00 1.00 0.00 0.00 33.01 32.18 1jka s GLN 86 CO 0.10 -0.87 1.47 -0.44 -2.12 0.00 0.00 175.29 173.44 1jka h ASP 87 N -0.54 0.29 -3.20 5.90 3.32 -1.93 -3.42 116.42 116.84 1jka h ASP 87 Ca -0.44 -0.20 -0.57 0.00 0.02 0.00 0.00 57.03 55.84 1jka h ASP 87 Cb 1.21 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.62 1jka h ASP 87 CO 0.60 0.92 0.61 0.21 -1.72 0.00 0.00 179.24 179.86 1jka s ASN 88 N -6.92 7.12 -0.03 6.45 3.84 -1.26 -4.91 114.94 119.23 1jka s ASN 88 Ca -0.04 1.39 0.15 0.00 0.21 0.00 0.00 52.86 54.57 1jka s ASN 88 Cb 0.11 -2.53 0.49 0.00 -0.55 0.00 0.00 41.25 38.78 1jka s ASN 88 CO 0.81 -0.52 1.39 2.30 -2.79 0.00 0.00 177.10 178.30 1jka n ILE 89 N 4.89 0.96 -0.24 -5.21 -5.35 -1.26 -4.50 119.36 108.66 1jka n ILE 89 Ca 0.09 -0.77 0.00 0.00 -0.27 0.00 0.00 62.75 61.80 1jka n ILE 89 Cb 0.48 0.22 0.12 0.00 -1.74 0.00 0.00 39.64 38.72 1jka n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jka h ALA 90 N 3.87 0.93 -0.40 -1.28 0.00 -1.94 -0.15 119.26 120.29 1jka h ALA 90 Ca 0.00 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1jka h ALA 90 Cb 0.88 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1jka h ALA 90 CO 0.07 -0.04 -0.24 -0.44 0.00 0.00 0.00 179.25 178.60 1jka h ASP 91 N 0.60 0.84 -0.69 0.00 3.32 -1.86 -1.61 116.42 117.01 1jka h ASP 91 Ca 0.33 -0.31 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 1jka h ASP 91 Cb 0.32 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1jka h ASP 91 CO -0.25 1.04 0.20 0.00 -1.72 0.00 0.00 179.24 178.51 1jka h ALA 92 N 1.02 0.91 -0.55 3.45 0.00 -1.62 -1.79 119.26 120.68 1jka h ALA 92 Ca 0.09 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1jka h ALA 92 Cb 0.77 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1jka h ALA 92 CO 0.06 0.61 -0.00 0.28 0.00 0.00 0.00 179.25 180.20 1jka h VAL 93 N 1.03 1.26 -0.82 0.00 2.07 -0.84 0.32 116.25 119.27 1jka h VAL 93 Ca 0.22 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.59 1jka h VAL 93 Cb 0.33 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1jka h VAL 93 CO -0.00 0.40 0.37 0.00 0.02 0.00 0.00 177.57 178.36 1jka h ALA 94 N 0.96 1.06 -0.14 1.67 0.00 -1.05 -1.25 119.26 120.52 1jka h ALA 94 Ca 0.16 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 1jka h ALA 94 Cb 0.54 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1jka h ALA 94 CO 0.03 0.64 -0.80 0.00 0.00 0.00 0.00 179.25 179.12 1jka h ALA 96 N 0.57 1.51 -0.40 0.00 0.00 -0.74 -0.33 119.26 119.86 1jka h ALA 96 Ca -0.06 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1jka h ALA 96 Cb 1.43 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1jka h ALA 96 CO 0.16 0.41 -0.17 0.87 0.00 0.00 0.00 179.25 180.53 1jka h LYS 97 N 0.73 0.75 -0.33 0.00 1.57 -1.12 -2.45 116.57 115.73 1jka h LYS 97 Ca 0.19 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1jka h LYS 97 Cb 0.03 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1jka h LYS 97 CO -0.03 0.87 0.12 -0.09 -0.57 0.00 0.00 179.45 179.75 1jka h ARG 98 N 0.67 0.50 -0.33 3.15 9.65 -0.79 -2.89 114.38 124.33 1jka h ARG 98 Ca 0.10 -0.10 0.06 0.00 -1.10 0.00 0.00 59.98 58.94 1jka h ARG 98 Cb 0.65 -0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 29.10 1jka h ARG 98 CO 0.05 0.52 0.00 0.28 2.80 0.00 0.00 179.97 183.62 1jka h VAL 99 N 0.38 0.76 0.00 0.20 2.07 -0.86 -2.15 116.25 116.64 1jka h VAL 99 Ca 0.11 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1jka h VAL 99 Cb 0.22 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1jka h VAL 99 CO -0.01 0.02 0.00 1.33 0.02 0.00 0.00 177.57 178.93 1jka n VAL 100 N -5.17 0.00 0.93 2.57 0.24 -0.94 -2.36 118.33 113.59 1jka n VAL 100 Ca 0.01 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.44 1jka n VAL 100 Cb 0.17 -0.61 0.44 0.00 -1.47 0.00 0.00 33.84 32.37 1jka n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1jka n ARG 101 N -0.99 0.05 -1.78 7.34 1.74 -0.81 -4.31 116.66 117.91 1jka n ARG 101 Ca 0.18 0.03 -0.31 0.00 -0.77 0.00 0.00 57.85 56.98 1jka n ARG 101 Cb 0.08 -1.55 0.03 0.00 -1.02 0.00 0.00 32.46 30.00 1jka n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jka s ASP 102 N -3.26 5.78 0.30 0.55 1.11 -0.99 -4.96 116.67 115.19 1jka s ASP 102 Ca 0.12 1.58 0.04 0.00 0.18 0.00 0.00 52.55 54.47 1jka s ASP 102 Cb 0.17 -2.49 0.67 0.00 1.07 0.00 0.00 42.92 42.34 1jka s ASP 102 CO 0.61 -1.17 1.80 -0.65 1.18 0.00 0.00 175.17 176.94 1jka h PRO 103 N -0.35 0.83 0.00 8.23 0.11 -1.88 -2.20 132.00 136.74 1jka h PRO 103 Ca -0.44 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1jka h PRO 103 Cb 1.20 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1jka h PRO 103 CO 0.59 0.55 -0.10 0.37 -0.21 0.00 0.00 178.00 179.19 1jka h GLN 104 N 0.85 0.00 0.00 1.05 4.15 -1.91 -3.48 115.11 115.78 1jka h GLN 104 Ca 0.55 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.97 1jka h GLN 104 Cb 0.74 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.43 1jka h GLN 104 CO -0.33 0.10 0.00 0.41 -1.93 0.00 0.00 178.83 177.08 1jka n GLY 105 N -0.67 2.87 0.11 2.39 0.00 -0.83 -2.29 105.19 106.77 1jka n GLY 105 Ca -0.02 -0.39 0.10 0.00 0.00 0.00 0.00 46.02 45.71 1jka n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jka n ILE 106 N 0.00 0.94 0.31 -0.61 3.06 -1.26 -2.24 119.36 119.57 1jka n ILE 106 Ca 0.00 0.32 0.09 0.00 -2.50 0.00 0.00 62.75 60.66 1jka n ILE 106 Cb 0.00 -1.23 0.40 0.00 0.54 0.00 0.00 39.64 39.35 1jka n ILE 106 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1jka n ARG 107 N -2.08 0.11 0.28 9.51 1.74 -0.97 -2.44 116.66 122.82 1jka n ARG 107 Ca 0.02 0.44 0.13 0.00 -0.77 0.00 0.00 57.85 57.67 1jka n ARG 107 Cb 0.18 -1.75 0.82 0.00 -1.02 0.00 0.00 32.46 30.69 1jka n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jka h ALA 108 N 2.23 1.70 -2.72 7.54 0.00 -1.61 -3.40 119.26 123.00 1jka h ALA 108 Ca 0.00 -0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 1jka h ALA 108 Cb 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.85 1jka h ALA 108 CO 0.00 -0.01 -0.23 -1.58 0.00 0.00 0.00 179.25 177.43 1jka s TRP 109 N -4.78 3.25 0.34 0.00 0.51 -1.02 -4.97 118.94 112.26 1jka s TRP 109 Ca -0.05 0.41 0.03 0.00 -2.12 0.00 0.00 56.10 54.38 1jka s TRP 109 Cb 0.16 -2.58 0.61 0.00 -0.81 0.00 0.00 33.47 30.85 1jka s TRP 109 CO 0.59 -0.23 1.91 0.28 -0.51 0.00 0.00 176.95 178.98 1jka h VAL 110 N 5.39 1.19 -0.96 4.03 2.07 -1.88 -2.22 116.25 123.86 1jka h VAL 110 Ca -0.31 -0.66 0.05 0.00 0.82 0.00 0.00 66.70 66.60 1jka h VAL 110 Cb 1.16 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 1jka h VAL 110 CO 0.65 0.24 0.63 0.00 0.02 0.00 0.00 177.57 179.10 1jka h ALA 111 N 1.52 1.41 -0.33 1.67 0.00 -1.95 0.12 119.26 121.70 1jka h ALA 111 Ca 0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1jka h ALA 111 Cb 0.22 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1jka h ALA 111 CO -0.00 0.48 0.01 2.35 0.00 0.00 0.00 179.25 182.09 1jka h TRP 112 N 1.17 0.62 -0.55 0.00 7.01 -1.72 -0.12 115.95 122.36 1jka h TRP 112 Ca 0.39 -0.10 -0.00 0.00 2.11 0.00 0.00 58.89 61.29 1jka h TRP 112 Cb 0.08 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.95 1jka h TRP 112 CO -0.00 0.68 0.34 0.00 -2.79 0.00 0.00 178.44 176.67 1jka h ARG 113 N 0.38 0.75 -0.17 2.65 3.08 -1.15 0.12 114.38 120.04 1jka h ARG 113 Ca 0.09 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 1jka h ARG 113 Cb 0.43 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 1jka h ARG 113 CO 0.01 0.54 -0.28 -0.91 -1.07 0.00 0.00 179.97 178.26 1jka h ASN 114 N 0.75 0.54 -0.00 7.04 2.35 -0.68 -3.34 115.58 122.23 1jka h ASN 114 Ca 0.20 -0.53 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1jka h ASN 114 Cb -0.02 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.19 1jka h ASN 114 CO -0.04 0.97 -0.50 0.54 -1.65 0.00 0.00 177.43 176.75 1jka n ARG 115 N -4.39 2.53 0.00 0.81 5.12 -0.07 -4.83 116.66 115.84 1jka n ARG 115 Ca -0.06 -0.22 0.00 0.00 -1.93 0.00 0.00 57.85 55.64 1jka n ARG 115 Cb 0.46 -1.12 0.00 0.00 -1.16 0.00 0.00 32.46 30.64 1jka n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jka n GLN 117 N -2.36 2.10 -3.09 0.00 7.27 -0.30 -2.22 117.38 118.79 1jka n GLN 117 Ca 0.00 0.75 -0.21 0.00 0.07 0.00 0.00 57.00 57.61 1jka n GLN 117 Cb 0.39 -2.48 0.04 0.00 2.41 0.00 0.00 30.24 30.61 1jka n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1jka n ASN 118 N 2.87 -5.86 -4.20 1.69 5.03 -1.26 -4.98 115.26 108.55 1jka n ASN 118 Ca 0.15 -0.32 -0.12 0.00 0.87 0.00 0.00 54.58 55.16 1jka n ASN 118 Cb 0.30 -4.63 -0.10 0.00 -1.02 0.00 0.00 39.78 34.33 1jka n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1jka s ARG 119 N -5.75 0.94 -0.65 3.52 0.52 -0.94 -5.09 118.95 111.50 1jka s ARG 119 Ca 0.34 -1.41 -0.27 0.00 -0.52 0.00 0.00 55.73 53.87 1jka s ARG 119 Cb -0.15 -0.30 0.02 0.00 0.52 0.00 0.00 34.95 35.05 1jka s ARG 119 CO 0.42 -0.03 1.34 0.34 0.02 0.00 0.00 175.30 177.39 1jka s ASP 120 N -3.10 6.15 0.00 0.23 -1.08 -1.26 -4.84 116.67 112.76 1jka s ASP 120 Ca 0.16 -0.09 0.20 0.00 -0.52 0.00 0.00 52.55 52.30 1jka s ASP 120 Cb 0.05 -2.55 0.47 0.00 -1.46 0.00 0.00 42.92 39.43 1jka s ASP 120 CO -0.02 -1.77 1.40 1.33 0.52 0.00 0.00 175.17 176.63 1jka n VAL 121 N 6.62 0.74 0.18 1.11 0.24 -1.26 -4.58 118.33 121.38 1jka n VAL 121 Ca 0.08 -0.87 0.08 0.00 -2.04 0.00 0.00 64.34 61.59 1jka n VAL 121 Cb 0.49 0.74 0.60 0.00 -1.47 0.00 0.00 33.84 34.20 1jka n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1jka h ARG 122 N 3.91 0.12 -0.77 7.34 -0.00 -1.92 -2.64 114.38 120.42 1jka h ARG 122 Ca 0.00 -0.01 0.14 0.00 -0.50 0.00 0.00 59.98 59.61 1jka h ARG 122 Cb 0.92 -0.03 -0.05 0.00 0.00 0.00 0.00 29.97 30.81 1jka h ARG 122 CO 0.00 0.08 0.51 -0.56 0.00 0.00 0.00 179.97 180.00 1jka h GLN 123 N 0.12 0.49 0.00 0.04 3.07 -1.98 -2.60 115.11 114.26 1jka h GLN 123 Ca 0.06 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.76 1jka h GLN 123 Cb 0.08 -0.11 -0.00 0.00 0.08 0.00 0.00 27.48 27.53 1jka h GLN 123 CO -0.01 0.33 -0.04 1.88 0.09 0.00 0.00 178.83 181.08 1jka h TYR 124 N 0.51 0.00 -0.02 0.06 0.05 -1.81 -2.90 116.97 112.85 1jka h TYR 124 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.16 1jka h TYR 124 Cb 0.75 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.49 1jka h TYR 124 CO -0.00 0.04 0.00 1.33 -1.05 0.00 0.00 178.16 178.48 1jka n VAL 125 N -4.21 0.02 -1.80 -2.88 0.24 -0.99 -4.86 118.33 103.86 1jka n VAL 125 Ca -0.03 -0.51 -0.42 0.00 -2.04 0.00 0.00 64.34 61.34 1jka n VAL 125 Cb 0.12 1.21 -0.03 0.00 -1.47 0.00 0.00 33.84 33.67 1jka n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1jka s GLN 126 N -0.92 4.16 0.00 7.34 -1.52 -1.10 -2.40 119.66 125.21 1jka s GLN 126 Ca 0.13 2.52 0.00 0.00 -1.95 0.00 0.00 55.36 56.06 1jka s GLN 126 Cb 0.09 -3.17 0.00 0.00 -0.22 0.00 0.00 33.01 29.71 1jka s GLN 126 CO 0.14 -0.72 0.00 0.41 -0.25 0.00 0.00 175.29 174.87 1jka n GLY 127 N 3.94 0.67 0.05 3.09 0.00 -1.26 -4.91 105.19 106.77 1jka n GLY 127 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1jka n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jka n GLY 129 N 1.39 0.34 0.13 0.00 0.00 -1.26 -4.85 105.19 100.94 1jka n GLY 129 Ca 0.04 -0.86 0.02 0.00 0.00 0.00 0.00 46.02 45.22 1jka n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65