#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjx n GLU 2 N 0.00 0.00 0.20 1.45 2.13 -1.26 -4.48 120.64 118.68 1jjx n GLU 2 Ca 0.00 0.00 0.16 0.00 0.66 0.00 0.00 57.16 57.98 1jjx n GLU 2 Cb 0.00 0.00 0.80 0.00 0.27 0.00 0.00 31.44 32.51 1jjx n GLU 2 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jjx h ALA 3 N 0.00 1.87 0.00 4.31 0.00 -2.04 -2.20 119.26 121.20 1jjx h ALA 3 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1jjx h ALA 3 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jjx h ALA 3 CO 0.00 -0.26 -0.15 0.74 0.00 0.00 0.00 179.25 179.57 1jjx h PHE 4 N 0.00 0.00 -2.54 0.00 0.04 -1.99 -3.45 116.94 109.00 1jjx h PHE 4 Ca 0.08 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 60.27 1jjx h PHE 4 Cb 0.43 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.47 1jjx h PHE 4 CO 0.00 0.15 0.82 0.00 -0.60 0.00 0.00 178.31 178.68 1jjx s ALA 6 N 4.94 -1.51 -0.28 0.00 0.00 -0.67 -4.96 121.76 119.28 1jjx s ALA 6 Ca 0.30 -0.08 -0.27 0.00 0.00 0.00 0.00 51.96 51.91 1jjx s ALA 6 Cb -0.12 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.70 1jjx s ALA 6 CO 0.13 -1.04 0.98 0.99 0.00 0.00 0.00 175.76 176.82 1jjx s THR 7 N -3.15 4.66 -0.20 0.00 2.01 -1.26 -1.17 115.64 116.54 1jjx s THR 7 Ca 0.14 1.71 -0.02 0.00 0.31 0.00 0.00 61.69 63.82 1jjx s THR 7 Cb -0.03 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 1jjx s THR 7 CO 0.04 -0.28 -0.08 0.26 -0.69 0.00 0.00 174.62 173.87 1jjx s TRP 8 N 3.27 2.91 -0.22 4.92 0.52 -0.21 -0.27 118.94 129.85 1jjx s TRP 8 Ca 0.41 -0.99 -0.14 0.00 0.02 0.00 0.00 56.10 55.40 1jjx s TRP 8 Cb -0.14 -2.03 -0.04 0.00 -1.15 0.00 0.00 33.47 30.11 1jjx s TRP 8 CO 0.11 -0.52 0.30 0.15 0.02 0.00 0.00 176.95 177.00 1jjx s LYS 9 N 1.24 4.12 -0.30 4.98 1.02 0.53 -0.91 119.74 130.43 1jjx s LYS 9 Ca 0.03 -0.00 -0.29 0.00 0.02 0.00 0.00 55.97 55.72 1jjx s LYS 9 Cb -0.14 -3.54 -0.01 0.00 -0.52 0.00 0.00 37.83 33.61 1jjx s LYS 9 CO -0.03 -0.01 1.54 -1.17 -0.92 0.00 0.00 175.35 174.76 1jjx s LEU 10 N 1.23 3.75 -0.18 3.17 0.20 -1.24 -1.18 118.68 124.43 1jjx s LEU 10 Ca 0.14 1.30 -0.16 0.00 0.69 0.00 0.00 54.13 56.10 1jjx s LEU 10 Cb -0.14 -3.53 -0.22 0.00 -0.43 0.00 0.00 46.19 41.87 1jjx s LEU 10 CO 0.07 -1.34 0.25 0.35 -0.29 0.00 0.00 176.35 175.38 1jjx n THR 11 N 6.71 1.63 -3.79 3.68 -2.24 -0.07 -4.87 114.28 115.32 1jjx n THR 11 Ca 0.18 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 1jjx n THR 11 Cb 0.46 -1.92 -0.13 0.00 -2.10 0.00 0.00 70.33 66.64 1jjx n THR 11 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jjx s ASN 12 N -6.95 -0.14 -0.05 3.42 2.47 -1.21 -5.00 114.94 107.49 1jjx s ASN 12 Ca -0.27 0.30 0.06 0.00 0.42 0.00 0.00 52.86 53.37 1jjx s ASN 12 Cb 0.06 0.26 -0.02 0.00 -1.45 0.00 0.00 41.25 40.11 1jjx s ASN 12 CO 0.65 -0.09 -0.23 -0.94 -3.72 0.00 0.00 177.10 172.78 1jjx s SER 13 N 0.50 3.26 0.00 -4.21 1.04 -1.26 -0.90 113.70 112.13 1jjx s SER 13 Ca -0.04 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1jjx s SER 13 Cb -0.05 -0.75 0.00 0.00 0.10 0.00 0.00 66.02 65.32 1jjx s SER 13 CO -0.02 0.28 0.00 1.67 0.98 0.00 0.00 173.24 176.14 1jjx n GLN 14 N 2.75 0.00 -1.33 4.02 -0.06 0.22 -4.91 117.38 118.06 1jjx n GLN 14 Ca -0.17 0.00 -0.26 0.00 -2.00 0.00 0.00 57.00 54.57 1jjx n GLN 14 Cb 0.52 0.00 -0.09 0.00 -4.06 0.00 0.00 30.24 26.61 1jjx n GLN 14 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1jjx n ASN 15 N 0.00 6.83 0.04 1.69 2.85 -1.26 -4.54 115.26 120.87 1jjx n ASN 15 Ca 0.00 -2.76 -0.12 0.00 -0.11 0.00 0.00 54.58 51.59 1jjx n ASN 15 Cb 0.00 -1.41 -0.01 0.00 1.24 0.00 0.00 39.78 39.60 1jjx n ASN 15 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1jjx h PHE 16 N 3.75 0.67 -0.32 1.20 3.57 -1.91 -3.11 116.94 120.80 1jjx h PHE 16 Ca 0.49 -0.31 0.06 0.00 3.53 0.00 0.00 57.97 61.74 1jjx h PHE 16 Cb 0.85 -0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.41 1jjx h PHE 16 CO 1.72 1.10 -0.40 -0.44 -2.23 0.00 0.00 178.31 178.06 1jjx h ASP 17 N 0.32 -1.30 -0.50 0.41 3.45 -1.95 -1.11 116.42 115.74 1jjx h ASP 17 Ca -0.05 0.20 -0.07 0.00 0.43 0.00 0.00 57.03 57.54 1jjx h ASP 17 Cb 1.39 0.56 -0.02 0.00 -0.56 0.00 0.00 39.33 40.71 1jjx h ASP 17 CO 0.14 -0.37 0.05 -0.08 -1.57 0.00 0.00 179.24 177.41 1jjx h GLU 18 N -0.36 0.85 -0.52 3.56 4.81 -1.95 -2.99 114.58 117.98 1jjx h GLU 18 Ca 0.13 -0.25 0.09 0.00 -0.13 0.00 0.00 59.36 59.20 1jjx h GLU 18 Cb 0.58 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.80 1jjx h GLU 18 CO -0.51 0.86 0.09 -0.92 -0.73 0.00 0.00 179.01 177.81 1jjx h TYR 19 N 0.73 0.14 -0.14 0.92 5.03 -1.43 0.55 116.97 122.76 1jjx h TYR 19 Ca 0.15 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.50 1jjx h TYR 19 Cb 0.44 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.73 1jjx h TYR 19 CO 0.03 -0.03 0.09 0.52 -1.32 0.00 0.00 178.16 177.45 1jjx h MET 20 N 0.22 0.17 -0.51 1.82 2.86 -1.27 -0.77 114.93 117.45 1jjx h MET 20 Ca 0.26 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.97 1jjx h MET 20 Cb 0.37 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.92 1jjx h MET 20 CO -0.35 0.11 0.14 -0.22 1.06 0.00 0.00 176.91 177.65 1jjx h LYS 21 N 0.18 0.28 -0.63 1.72 3.11 -1.40 -2.11 116.57 117.72 1jjx h LYS 21 Ca 0.06 -0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.82 1jjx h LYS 21 Cb -0.01 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.13 1jjx h LYS 21 CO -0.02 0.19 0.17 0.00 -2.81 0.00 0.00 179.45 176.97 1jjx h ALA 22 N 1.38 1.12 -0.47 5.00 0.00 -0.79 -3.04 119.26 122.45 1jjx h ALA 22 Ca 0.25 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1jjx h ALA 22 Cb 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1jjx h ALA 22 CO -0.30 0.60 0.12 -0.07 0.00 0.00 0.00 179.25 179.60 1jjx h LEU 23 N 0.93 0.66 0.00 0.00 4.07 -1.09 -3.49 115.31 116.38 1jjx h LEU 23 Ca 0.20 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1jjx h LEU 23 Cb 0.30 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.87 1jjx h LEU 23 CO -0.00 0.65 0.00 0.61 -1.08 0.00 0.00 178.44 178.61 1jjx n GLY 24 N -0.96 0.98 3.78 0.83 0.00 -0.83 -5.06 105.19 103.93 1jjx n GLY 24 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1jjx n GLY 24 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jjx s VAL 25 N -1.76 3.48 0.77 1.61 -7.23 -0.98 -4.95 120.40 111.35 1jjx s VAL 25 Ca 0.00 0.56 -0.12 0.00 -1.81 0.00 0.00 61.98 60.61 1jjx s VAL 25 Cb 0.00 -3.10 0.06 0.00 0.56 0.00 0.00 36.38 33.90 1jjx s VAL 25 CO 0.00 -0.55 1.13 -0.83 -0.31 0.00 0.00 175.10 174.53 1jjx s GLY 26 N -3.18 1.90 0.23 2.32 0.00 -1.26 -4.84 107.32 102.49 1jjx s GLY 26 Ca 0.62 0.51 -0.05 0.00 0.00 0.00 0.00 44.72 45.80 1jjx s GLY 26 CO 0.50 0.88 1.75 -2.75 0.00 0.00 0.00 173.10 173.48 1jjx h PHE 27 N -0.88 1.03 -0.53 1.90 3.57 -2.00 -0.76 116.94 119.27 1jjx h PHE 27 Ca -0.45 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 60.92 1jjx h PHE 27 Cb 1.25 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.68 1jjx h PHE 27 CO 0.54 0.86 0.30 0.00 -2.23 0.00 0.00 178.31 177.78 1jjx h ALA 28 N 1.19 0.67 -0.70 2.41 0.00 -2.00 -3.20 119.26 117.64 1jjx h ALA 28 Ca 0.19 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1jjx h ALA 28 Cb 0.38 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1jjx h ALA 28 CO 0.01 0.18 0.43 1.15 0.00 0.00 0.00 179.25 181.02 1jjx h THR 29 N 0.71 1.09 -0.29 0.00 2.02 -1.81 -0.57 112.91 114.05 1jjx h THR 29 Ca 0.19 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 67.11 1jjx h THR 29 Cb 0.02 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 1jjx h THR 29 CO -0.03 0.15 0.11 0.08 0.37 0.00 0.00 175.52 176.20 1jjx h ARG 30 N 0.85 0.24 -0.51 6.66 0.11 -1.26 0.32 114.38 120.79 1jjx h ARG 30 Ca 0.28 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.32 1jjx h ARG 30 Cb 0.03 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.03 1jjx h ARG 30 CO -0.11 0.16 0.21 1.96 0.10 0.00 0.00 179.97 182.29 1jjx h GLN 31 N 0.25 0.75 -0.01 0.08 7.50 -1.52 -0.47 115.11 121.70 1jjx h GLN 31 Ca 0.13 -0.13 0.02 0.00 0.50 0.00 0.00 58.65 59.17 1jjx h GLN 31 Cb 0.08 -0.13 -0.05 0.00 0.05 0.00 0.00 27.48 27.44 1jjx h GLN 31 CO -0.12 0.66 -0.48 0.28 -1.50 0.00 0.00 178.83 177.67 1jjx h VAL 32 N 0.68 0.00 -0.70 -0.54 2.07 -1.11 -2.33 116.25 114.31 1jjx h VAL 32 Ca 0.17 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.80 1jjx h VAL 32 Cb 0.18 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.90 1jjx h VAL 32 CO -0.02 0.00 0.47 1.23 0.02 0.00 0.00 177.57 179.27 1jjx h GLY 33 N -0.60 0.78 0.96 2.17 0.00 -0.88 -1.78 103.07 103.73 1jjx h GLY 33 Ca 0.01 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 1jjx h GLY 33 CO -0.32 0.12 -0.01 3.43 0.00 0.00 0.00 176.54 179.76 1jjx h ASN 34 N 0.54 0.73 0.67 0.19 2.35 -1.05 -3.35 115.58 115.66 1jjx h ASN 34 Ca 0.33 -0.31 -0.23 0.00 -0.55 0.00 0.00 56.30 55.53 1jjx h ASN 34 Cb 0.56 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1jjx h ASN 34 CO -0.11 0.87 -1.06 -0.37 -1.65 0.00 0.00 177.43 175.10 1jjx h VAL 35 N 0.58 1.54 -3.09 2.81 -1.51 -1.20 -3.48 116.25 111.88 1jjx h VAL 35 Ca 0.12 -2.96 -0.61 0.00 -1.23 0.00 0.00 66.70 62.02 1jjx h VAL 35 Cb 0.50 2.75 -0.07 0.00 -2.13 0.00 0.00 31.29 32.33 1jjx h VAL 35 CO 0.02 0.86 -0.25 0.28 -1.23 0.00 0.00 177.57 177.25 1jjx s THR 36 N -2.87 5.17 -0.45 7.19 -1.32 -0.69 -5.08 115.64 117.59 1jjx s THR 36 Ca -0.03 0.72 -0.20 0.00 -1.21 0.00 0.00 61.69 60.97 1jjx s THR 36 Cb 0.09 -3.68 0.03 0.00 -1.51 0.00 0.00 72.50 67.43 1jjx s THR 36 CO 0.85 0.50 0.61 -1.59 -2.21 0.00 0.00 174.62 172.78 1jjx s LYS 37 N -0.44 3.22 0.25 7.08 -2.85 -1.26 -4.91 119.74 120.84 1jjx s LYS 37 Ca 0.21 -0.52 -0.30 0.00 -1.00 0.00 0.00 55.97 54.37 1jjx s LYS 37 Cb -0.15 -3.98 -0.09 0.00 -2.06 0.00 0.00 37.83 31.55 1jjx s LYS 37 CO 0.10 -1.02 1.10 -1.25 0.10 0.00 0.00 175.35 174.38 1jjx s PRO 38 N 2.70 4.62 -0.63 1.78 0.04 -1.26 -4.77 135.00 137.48 1jjx s PRO 38 Ca 0.20 1.79 -0.24 0.00 0.04 0.00 0.00 61.00 62.78 1jjx s PRO 38 Cb -0.15 -3.21 0.05 0.00 0.04 0.00 0.00 34.50 31.22 1jjx s PRO 38 CO 0.17 0.16 1.02 0.99 0.04 0.00 0.00 177.00 179.39 1jjx s THR 39 N -0.87 4.23 -0.53 1.26 2.01 0.08 -3.67 115.64 118.15 1jjx s THR 39 Ca 0.46 0.08 -0.15 0.00 0.31 0.00 0.00 61.69 62.39 1jjx s THR 39 Cb -0.31 -4.67 0.13 0.00 0.01 0.00 0.00 72.50 67.65 1jjx s THR 39 CO 0.39 -1.39 0.48 -0.69 -0.69 0.00 0.00 174.62 172.72 1jjx s VAL 40 N 4.35 5.11 -0.58 3.82 1.01 -0.09 -1.59 120.40 132.44 1jjx s VAL 40 Ca 0.28 -1.51 -0.21 0.00 0.00 0.00 0.00 61.98 60.54 1jjx s VAL 40 Cb -0.13 -4.27 0.07 0.00 0.00 0.00 0.00 36.38 32.04 1jjx s VAL 40 CO 0.15 -0.85 0.81 -0.63 0.00 0.00 0.00 175.10 174.58 1jjx s ILE 41 N 1.58 4.59 -0.18 2.22 1.01 -0.06 -1.04 121.20 129.31 1jjx s ILE 41 Ca 0.03 -0.40 -0.17 0.00 0.00 0.00 0.00 60.65 60.12 1jjx s ILE 41 Cb -0.29 -4.51 -0.04 0.00 0.01 0.00 0.00 42.46 37.63 1jjx s ILE 41 CO 0.03 -1.14 0.45 -0.63 0.00 0.00 0.00 174.94 173.65 1jjx s ILE 42 N 3.35 5.17 -0.14 2.92 1.01 -0.31 -0.56 121.20 132.64 1jjx s ILE 42 Ca 0.20 0.83 -0.07 0.00 0.00 0.00 0.00 60.65 61.61 1jjx s ILE 42 Cb -0.18 -3.78 0.06 0.00 0.01 0.00 0.00 42.46 38.57 1jjx s ILE 42 CO 0.12 0.24 0.32 -0.94 0.00 0.00 0.00 174.94 174.68 1jjx s SER 43 N 0.98 -0.22 -0.49 3.58 1.04 -0.60 -1.67 113.70 116.32 1jjx s SER 43 Ca 0.22 0.71 -0.28 0.00 0.48 0.00 0.00 55.95 57.09 1jjx s SER 43 Cb -0.15 0.70 0.03 0.00 0.10 0.00 0.00 66.02 66.70 1jjx s SER 43 CO 0.09 -0.20 1.09 -1.10 0.98 0.00 0.00 173.24 174.10 1jjx s GLN 44 N 1.70 3.63 -0.86 4.02 -0.21 -1.26 0.13 119.66 126.81 1jjx s GLN 44 Ca -0.06 0.39 -0.09 0.00 0.02 0.00 0.00 55.36 55.62 1jjx s GLN 44 Cb -0.10 -3.93 0.22 0.00 1.00 0.00 0.00 33.01 30.19 1jjx s GLN 44 CO -0.10 -1.40 0.77 -1.21 -2.12 0.00 0.00 175.29 171.24 1jjx s GLU 45 N 4.35 3.47 0.00 2.91 0.41 -0.13 -4.85 118.70 124.86 1jjx s GLU 45 Ca 0.44 -2.76 0.00 0.00 -0.41 0.00 0.00 54.97 52.24 1jjx s GLU 45 Cb -0.08 -4.24 0.00 0.00 -1.78 0.00 0.00 34.13 28.03 1jjx s GLU 45 CO 0.29 -1.25 0.00 0.41 -0.49 0.00 0.00 175.26 174.22 1jjx n GLY 46 N 3.36 2.21 1.14 -1.39 0.00 -1.26 -3.74 105.19 105.51 1jjx n GLY 46 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1jjx n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jjx n ASP 47 N 4.21 0.37 -4.83 1.61 -0.08 -1.26 -5.12 116.55 111.44 1jjx n ASP 47 Ca 0.00 0.07 -0.32 0.00 -1.51 0.00 0.00 54.79 53.03 1jjx n ASP 47 Cb 0.00 -0.09 -0.05 0.00 2.34 0.00 0.00 41.12 43.31 1jjx n ASP 47 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1jjx s LYS 48 N -2.00 4.09 -0.22 -0.67 -2.85 -1.24 -4.97 119.74 111.87 1jjx s LYS 48 Ca 0.00 1.00 -0.24 0.00 -1.00 0.00 0.00 55.97 55.72 1jjx s LYS 48 Cb 0.00 -2.19 -0.01 0.00 -2.06 0.00 0.00 37.83 33.57 1jjx s LYS 48 CO 0.00 -0.11 0.81 0.08 0.10 0.00 0.00 175.35 176.23 1jjx s VAL 49 N -2.35 4.86 -0.34 1.79 1.01 0.02 -0.96 120.40 124.44 1jjx s VAL 49 Ca 0.60 1.55 -0.05 0.00 0.00 0.00 0.00 61.98 64.08 1jjx s VAL 49 Cb -0.09 -4.11 0.06 0.00 0.00 0.00 0.00 36.38 32.24 1jjx s VAL 49 CO 0.21 -0.03 0.10 -0.69 0.00 0.00 0.00 175.10 174.68 1jjx s VAL 50 N 2.60 3.49 -0.33 2.92 1.01 0.12 -1.55 120.40 128.67 1jjx s VAL 50 Ca 0.35 -1.36 -0.21 0.00 0.00 0.00 0.00 61.98 60.76 1jjx s VAL 50 Cb -0.16 -3.06 -0.00 0.00 0.00 0.00 0.00 36.38 33.17 1jjx s VAL 50 CO 0.09 -0.25 0.67 -0.63 0.00 0.00 0.00 175.10 174.97 1jjx s ILE 51 N 1.32 4.88 -0.48 2.22 1.01 -0.37 -1.56 121.20 128.21 1jjx s ILE 51 Ca -0.01 0.80 -0.15 0.00 0.00 0.00 0.00 60.65 61.29 1jjx s ILE 51 Cb -0.20 -4.07 0.08 0.00 0.01 0.00 0.00 42.46 38.28 1jjx s ILE 51 CO 0.01 -0.24 0.41 -0.13 0.00 0.00 0.00 174.94 174.98 1jjx s ARG 52 N 2.74 2.97 -0.59 2.79 0.52 0.28 -0.60 118.95 127.06 1jjx s ARG 52 Ca 0.26 -1.41 -0.22 0.00 -0.52 0.00 0.00 55.73 53.84 1jjx s ARG 52 Cb -0.14 -4.16 0.07 0.00 0.52 0.00 0.00 34.95 31.24 1jjx s ARG 52 CO 0.13 -1.08 0.84 0.99 0.02 0.00 0.00 175.30 176.21 1jjx s THR 53 N 1.63 4.54 -0.43 0.02 2.01 -0.06 -0.88 115.64 122.47 1jjx s THR 53 Ca 0.04 -0.35 0.04 0.00 0.31 0.00 0.00 61.69 61.73 1jjx s THR 53 Cb -0.25 -4.54 0.12 0.00 0.01 0.00 0.00 72.50 67.84 1jjx s THR 53 CO 0.06 -1.18 0.16 -0.76 -0.69 0.00 0.00 174.62 172.21 1jjx s LEU 54 N 3.50 4.52 0.57 4.42 1.43 -0.62 -1.93 118.68 130.56 1jjx s LEU 54 Ca 0.21 -2.60 0.01 0.00 -1.03 0.00 0.00 54.13 50.72 1jjx s LEU 54 Cb -0.18 -1.63 0.05 0.00 0.03 0.00 0.00 46.19 44.46 1jjx s LEU 54 CO 0.12 -0.30 0.81 -0.94 0.23 0.00 0.00 176.35 176.26 1jjx s SER 55 N 0.28 5.15 0.00 2.29 1.04 -0.66 -0.74 113.70 121.07 1jjx s SER 55 Ca 0.14 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1jjx s SER 55 Cb -0.23 -0.75 0.00 0.00 0.10 0.00 0.00 66.02 65.14 1jjx s SER 55 CO -0.04 -1.24 0.71 1.07 0.98 0.00 0.00 173.24 174.72 1jjx n THR 56 N -2.41 0.71 0.22 2.02 5.66 -1.26 -4.07 114.28 115.14 1jjx n THR 56 Ca 0.09 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1jjx n THR 56 Cb 0.60 -0.88 0.00 0.00 -1.55 0.00 0.00 70.33 68.49 1jjx n THR 56 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1jjx n PHE 57 N 0.85 -4.26 -4.06 1.09 3.72 -1.26 -5.11 117.46 108.43 1jjx n PHE 57 Ca 0.00 1.37 -0.35 0.00 -0.05 0.00 0.00 57.45 58.42 1jjx n PHE 57 Cb 0.30 3.29 -0.13 0.00 -0.94 0.00 0.00 39.48 42.01 1jjx n PHE 57 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1jjx s LYS 58 N -1.94 3.53 -0.36 -1.08 -0.14 -1.26 -5.09 119.74 113.40 1jjx s LYS 58 Ca 0.00 -0.56 0.02 0.00 -1.36 0.00 0.00 55.97 54.07 1jjx s LYS 58 Cb 0.00 -3.03 0.11 0.00 -1.68 0.00 0.00 37.83 33.22 1jjx s LYS 58 CO 0.00 -0.05 0.10 0.54 -0.76 0.00 0.00 175.35 175.18 1jjx s ASN 59 N 1.13 4.43 0.26 2.83 4.22 -1.26 -1.65 114.94 124.91 1jjx s ASN 59 Ca 0.02 -2.13 0.04 0.00 -2.14 0.00 0.00 52.86 48.65 1jjx s ASN 59 Cb -0.14 -1.37 -0.06 0.00 1.28 0.00 0.00 41.25 40.96 1jjx s ASN 59 CO 0.01 -0.37 0.01 0.28 -2.04 0.00 0.00 177.10 174.99 1jjx s THR 60 N 0.95 1.11 0.04 0.54 -1.32 -0.81 -5.02 115.64 111.13 1jjx s THR 60 Ca 0.12 -2.03 0.01 0.00 -1.21 0.00 0.00 61.69 58.57 1jjx s THR 60 Cb -0.20 -2.50 -0.03 0.00 -1.51 0.00 0.00 72.50 68.27 1jjx s THR 60 CO -0.12 -0.21 -0.05 -1.83 -2.21 0.00 0.00 174.62 170.20 1jjx s GLU 61 N -3.87 0.50 -0.29 7.08 -1.05 -1.26 -0.88 118.70 118.93 1jjx s GLU 61 Ca 0.31 -0.86 0.02 0.00 -0.15 0.00 0.00 54.97 54.30 1jjx s GLU 61 Cb 0.06 -0.04 0.08 0.00 -0.44 0.00 0.00 34.13 33.79 1jjx s GLU 61 CO 0.11 -0.02 0.01 0.42 0.95 0.00 0.00 175.26 176.72 1jjx s ILE 62 N -2.13 1.77 -0.35 1.83 1.01 0.23 -4.98 121.20 118.58 1jjx s ILE 62 Ca -0.07 -1.73 -0.13 0.00 0.00 0.00 0.00 60.65 58.72 1jjx s ILE 62 Cb -0.05 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 1jjx s ILE 62 CO -0.03 -0.39 0.25 -0.94 0.00 0.00 0.00 174.94 173.83 1jjx s SER 63 N 1.21 6.07 0.02 3.58 1.04 -1.26 -1.24 113.70 123.13 1jjx s SER 63 Ca 0.03 -0.46 -0.08 0.00 0.48 0.00 0.00 55.95 55.92 1jjx s SER 63 Cb -0.19 -2.14 -0.00 0.00 0.10 0.00 0.00 66.02 63.79 1jjx s SER 63 CO -0.10 -0.26 0.15 0.72 0.98 0.00 0.00 173.24 174.73 1jjx s PHE 64 N 1.72 0.09 -0.07 5.02 -0.71 -0.59 -4.98 117.98 118.47 1jjx s PHE 64 Ca 0.06 -0.28 -0.03 0.00 -1.04 0.00 0.00 56.93 55.64 1jjx s PHE 64 Cb -0.18 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.53 1jjx s PHE 64 CO 0.11 -0.36 0.08 -0.65 -1.34 0.00 0.00 175.22 173.05 1jjx s GLN 65 N -2.12 3.17 0.12 1.99 -0.21 -1.26 -0.80 119.66 120.55 1jjx s GLN 65 Ca -0.09 -0.34 -0.31 0.00 0.02 0.00 0.00 55.36 54.64 1jjx s GLN 65 Cb -0.04 -2.95 -0.08 0.00 1.00 0.00 0.00 33.01 30.94 1jjx s GLN 65 CO -0.02 0.71 1.47 -0.51 -2.12 0.00 0.00 175.29 174.82 1jjx s LEU 66 N -1.24 4.37 0.00 2.90 1.43 -1.26 -2.23 118.68 122.64 1jjx s LEU 66 Ca 0.17 2.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 1jjx s LEU 66 Cb -0.12 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.52 1jjx s LEU 66 CO 0.07 -0.73 0.00 0.61 0.23 0.00 0.00 176.35 176.53 1jjx n GLY 67 N 3.63 2.71 3.69 -3.19 0.00 -0.39 -5.02 105.19 106.61 1jjx n GLY 67 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1jjx n GLY 67 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jjx s GLU 68 N -0.29 4.28 -0.07 1.61 2.12 -0.94 -4.86 118.70 120.54 1jjx s GLU 68 Ca 0.00 0.45 -0.30 0.00 0.36 0.00 0.00 54.97 55.49 1jjx s GLU 68 Cb 0.00 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 1jjx s GLU 68 CO 0.00 0.01 1.01 -2.00 -0.54 0.00 0.00 175.26 173.74 1jjx s GLU 69 N 1.10 4.46 0.02 4.30 2.12 -1.26 -4.49 118.70 124.95 1jjx s GLU 69 Ca 0.26 1.42 -0.00 0.00 0.36 0.00 0.00 54.97 57.00 1jjx s GLU 69 Cb -0.15 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.70 1jjx s GLU 69 CO 0.10 -0.25 -0.02 -0.59 -0.54 0.00 0.00 175.26 173.96 1jjx s PHE 70 N 1.75 0.24 0.20 5.30 -0.71 -0.28 -4.95 117.98 119.54 1jjx s PHE 70 Ca 0.50 -0.49 -0.30 0.00 -1.04 0.00 0.00 56.93 55.60 1jjx s PHE 70 Cb -0.19 -0.17 -0.08 0.00 -1.21 0.00 0.00 43.02 41.36 1jjx s PHE 70 CO 0.21 -0.19 0.98 -0.51 -1.34 0.00 0.00 175.22 174.37 1jjx s ASP 71 N -1.40 7.52 -0.10 1.98 1.01 -1.26 -0.48 116.67 123.95 1jjx s ASP 71 Ca -0.15 1.96 -0.06 0.00 0.71 0.00 0.00 52.55 55.01 1jjx s ASP 71 Cb -0.09 -2.61 0.04 0.00 1.01 0.00 0.00 42.92 41.27 1jjx s ASP 71 CO -0.01 0.02 0.24 -0.70 0.21 0.00 0.00 175.17 174.93 1jjx s GLU 72 N -0.81 0.21 -0.28 8.23 2.56 -0.49 -4.95 118.70 123.17 1jjx s GLU 72 Ca 0.44 0.47 -0.12 0.00 0.00 0.00 0.00 54.97 55.75 1jjx s GLU 72 Cb -0.26 -0.07 -0.04 0.00 2.00 0.00 0.00 34.13 35.76 1jjx s GLU 72 CO 0.33 -0.13 0.26 0.99 -0.56 0.00 0.00 175.26 176.14 1jjx s THR 73 N 0.98 5.26 0.65 -1.70 2.01 -1.26 -0.98 115.64 120.60 1jjx s THR 73 Ca -0.07 0.29 -0.02 0.00 0.31 0.00 0.00 61.69 62.20 1jjx s THR 73 Cb -0.08 -3.60 0.07 0.00 0.01 0.00 0.00 72.50 68.90 1jjx s THR 73 CO -0.06 0.20 0.91 0.42 -0.69 0.00 0.00 174.62 175.41 1jjx s THR 74 N 1.87 2.40 0.65 -0.82 -4.23 -0.83 -4.93 115.64 109.75 1jjx s THR 74 Ca 0.10 -0.52 0.36 0.00 -1.18 0.00 0.00 61.69 60.45 1jjx s THR 74 Cb -0.16 -2.88 0.38 0.00 1.34 0.00 0.00 72.50 71.18 1jjx s THR 74 CO 0.11 0.00 2.17 0.00 -0.54 0.00 0.00 174.62 176.36 1jjx h ALA 75 N -0.32 1.29 0.00 3.99 0.00 -1.99 0.47 119.26 122.70 1jjx h ALA 75 Ca -0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1jjx h ALA 75 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1jjx h ALA 75 CO 0.51 -0.16 0.00 -3.47 0.00 0.00 0.00 179.25 176.12 1jjx n ASP 76 N -3.20 0.62 -3.17 0.00 4.64 -1.26 -4.96 116.55 109.22 1jjx n ASP 76 Ca -0.02 0.71 -0.17 0.00 -1.38 0.00 0.00 54.79 53.93 1jjx n ASP 76 Cb 0.22 -0.82 0.08 0.00 -1.04 0.00 0.00 41.12 39.56 1jjx n ASP 76 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1jjx n ASP 77 N -2.24 -3.24 -4.17 1.67 9.92 0.16 -4.44 116.55 114.21 1jjx n ASP 77 Ca 0.01 -0.52 -0.29 0.00 -0.53 0.00 0.00 54.79 53.45 1jjx n ASP 77 Cb 0.15 -4.55 -0.17 0.00 -0.64 0.00 0.00 41.12 35.91 1jjx n ASP 77 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jjx s ARG 78 N -5.50 2.42 -0.24 -1.24 1.70 -1.26 -4.93 118.95 109.90 1jjx s ARG 78 Ca 0.16 -0.72 -0.23 0.00 -0.47 0.00 0.00 55.73 54.47 1jjx s ARG 78 Cb -0.07 -1.93 -0.01 0.00 -0.57 0.00 0.00 34.95 32.37 1jjx s ARG 78 CO 0.64 0.19 0.75 0.54 -1.08 0.00 0.00 175.30 176.34 1jjx s ASN 79 N 0.28 6.74 0.04 -2.89 2.20 -1.26 -1.96 114.94 118.08 1jjx s ASN 79 Ca -0.13 0.92 0.09 0.00 -0.94 0.00 0.00 52.86 52.80 1jjx s ASN 79 Cb -0.16 -2.40 -0.03 0.00 -2.00 0.00 0.00 41.25 36.67 1jjx s ASN 79 CO 0.06 -0.45 -0.26 0.00 -2.94 0.00 0.00 177.10 173.51 1jjx s LYS 81 N -1.17 3.42 -0.12 0.00 -0.14 0.03 -1.40 119.74 120.36 1jjx s LYS 81 Ca 0.12 0.24 -0.10 0.00 -1.36 0.00 0.00 55.97 54.87 1jjx s LYS 81 Cb -0.10 -4.06 -0.05 0.00 -1.68 0.00 0.00 37.83 31.94 1jjx s LYS 81 CO 0.02 -1.80 0.20 -1.12 -0.76 0.00 0.00 175.35 171.88 1jjx s SER 82 N 3.40 6.42 -0.04 2.83 0.01 0.37 -1.10 113.70 125.59 1jjx s SER 82 Ca 0.44 0.50 0.01 0.00 1.31 0.00 0.00 55.95 58.21 1jjx s SER 82 Cb -0.08 -2.11 0.02 0.00 0.21 0.00 0.00 66.02 64.05 1jjx s SER 82 CO 0.24 0.31 -0.05 0.54 0.41 0.00 0.00 173.24 174.70 1jjx s VAL 83 N -0.57 0.54 -0.20 3.43 0.11 -0.29 -1.12 120.40 122.30 1jjx s VAL 83 Ca 0.15 -0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 1jjx s VAL 83 Cb -0.13 -0.57 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 1jjx s VAL 83 CO 0.04 0.22 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.18 1jjx s VAL 84 N 0.88 2.33 -0.10 2.04 1.01 -1.26 -0.98 120.40 124.31 1jjx s VAL 84 Ca -0.12 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 60.98 1jjx s VAL 84 Cb -0.14 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 1jjx s VAL 84 CO 0.00 0.47 -0.20 -0.94 0.00 0.00 0.00 175.10 174.43 1jjx s SER 85 N 1.31 3.45 -0.43 3.32 1.04 -0.71 -1.26 113.70 120.41 1jjx s SER 85 Ca 0.04 -0.45 -0.15 0.00 0.48 0.00 0.00 55.95 55.87 1jjx s SER 85 Cb -0.14 -1.34 0.04 0.00 0.10 0.00 0.00 66.02 64.69 1jjx s SER 85 CO -0.10 0.19 0.34 -0.22 0.98 0.00 0.00 173.24 174.42 1jjx s LEU 86 N 0.18 5.30 0.20 2.42 0.20 -1.26 -0.41 118.68 125.31 1jjx s LEU 86 Ca -0.12 -1.05 0.21 0.00 0.69 0.00 0.00 54.13 53.86 1jjx s LEU 86 Cb -0.16 -2.17 0.00 0.00 -0.43 0.00 0.00 46.19 43.43 1jjx s LEU 86 CO 0.06 -0.53 1.06 -0.78 -0.29 0.00 0.00 176.35 175.88 1jjx h ASP 87 N 8.68 0.00 0.00 3.68 1.82 -1.78 -3.49 116.42 125.33 1jjx h ASP 87 Ca -0.28 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.36 1jjx h ASP 87 Cb 1.12 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.13 1jjx h ASP 87 CO 0.79 0.14 0.00 0.61 -1.61 0.00 0.00 179.24 179.16 1jjx n GLY 88 N 1.22 -2.09 2.75 -0.78 0.00 -1.26 -4.90 105.19 100.13 1jjx n GLY 88 Ca -0.02 0.80 -0.36 0.00 0.00 0.00 0.00 46.02 46.45 1jjx n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jjx n ASP 89 N 0.00 6.26 -3.45 1.61 2.03 -1.26 -4.53 116.55 117.21 1jjx n ASP 89 Ca 0.00 -3.68 -0.04 0.00 0.52 0.00 0.00 54.79 51.59 1jjx n ASP 89 Cb 0.00 -0.95 -0.06 0.00 -0.72 0.00 0.00 41.12 39.39 1jjx n ASP 89 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1jjx s LYS 90 N -3.95 0.44 -0.27 -0.67 -2.85 -1.26 -4.30 119.74 106.89 1jjx s LYS 90 Ca 0.42 0.97 -0.25 0.00 -1.00 0.00 0.00 55.97 56.11 1jjx s LYS 90 Cb 0.22 0.26 -0.00 0.00 -2.06 0.00 0.00 37.83 36.24 1jjx s LYS 90 CO -0.12 -0.44 0.85 -0.51 0.10 0.00 0.00 175.35 175.23 1jjx s LEU 91 N 2.71 4.07 -0.49 2.77 1.43 -0.73 -1.85 118.68 126.59 1jjx s LEU 91 Ca 0.07 0.95 -0.10 0.00 -1.03 0.00 0.00 54.13 54.02 1jjx s LEU 91 Cb -0.14 -3.21 0.12 0.00 0.03 0.00 0.00 46.19 43.00 1jjx s LEU 91 CO -0.17 -0.59 0.37 -0.69 0.23 0.00 0.00 176.35 175.51 1jjx s VAL 92 N 2.97 4.35 -0.56 -1.59 1.01 0.46 -1.15 120.40 125.88 1jjx s VAL 92 Ca 0.36 -1.79 -0.21 0.00 0.00 0.00 0.00 61.98 60.33 1jjx s VAL 92 Cb -0.15 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.44 1jjx s VAL 92 CO 0.09 -0.80 0.80 -2.28 0.00 0.00 0.00 175.10 172.92 1jjx s HIS 93 N 1.34 2.89 -0.31 5.22 2.46 -0.86 -1.74 115.29 124.28 1jjx s HIS 93 Ca 0.06 -0.45 -0.17 0.00 0.47 0.00 0.00 55.06 54.97 1jjx s HIS 93 Cb -0.26 -3.92 -0.02 0.00 -0.13 0.00 0.00 32.58 28.25 1jjx s HIS 93 CO -0.00 -1.29 0.48 0.42 -2.47 0.00 0.00 174.74 171.87 1jjx s ILE 94 N 3.33 5.06 -0.23 0.89 1.01 -0.15 -1.28 121.20 129.83 1jjx s ILE 94 Ca 0.21 0.49 -0.06 0.00 0.00 0.00 0.00 60.65 61.29 1jjx s ILE 94 Cb -0.17 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 1jjx s ILE 94 CO 0.13 -0.07 0.02 -1.10 0.00 0.00 0.00 174.94 173.92 1jjx s GLN 95 N 2.30 3.54 -0.21 2.79 -0.21 -0.08 -1.14 119.66 126.65 1jjx s GLN 95 Ca 0.18 -0.54 -0.03 0.00 0.02 0.00 0.00 55.36 54.99 1jjx s GLN 95 Cb -0.16 -3.17 -0.01 0.00 1.00 0.00 0.00 33.01 30.67 1jjx s GLN 95 CO 0.12 -0.17 -0.06 0.15 -2.12 0.00 0.00 175.29 173.21 1jjx s LYS 96 N 1.49 3.36 -0.16 2.91 1.02 -0.26 -2.26 119.74 125.85 1jjx s LYS 96 Ca 0.06 -0.64 -0.12 0.00 0.02 0.00 0.00 55.97 55.29 1jjx s LYS 96 Cb -0.15 -2.96 0.05 0.00 -0.52 0.00 0.00 37.83 34.25 1jjx s LYS 96 CO 0.01 -0.16 0.41 1.67 -0.92 0.00 0.00 175.35 176.36 1jjx s TRP 97 N 1.38 -0.54 -1.54 3.18 -2.14 -0.49 -0.79 118.94 117.99 1jjx s TRP 97 Ca 0.05 1.22 -0.11 0.00 2.66 0.00 0.00 56.10 59.91 1jjx s TRP 97 Cb -0.14 0.22 0.08 0.00 -3.10 0.00 0.00 33.47 30.53 1jjx s TRP 97 CO -0.03 -0.29 0.79 -0.25 -2.66 0.00 0.00 176.95 174.51 1jjx n ASP 98 N 3.66 -3.14 -0.92 -2.66 9.92 -1.26 -0.83 116.55 121.32 1jjx n ASP 98 Ca -0.19 -0.89 -0.11 0.00 -0.53 0.00 0.00 54.79 53.07 1jjx n ASP 98 Cb 0.56 -3.42 -0.04 0.00 -0.64 0.00 0.00 41.12 37.59 1jjx n ASP 98 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jjx n GLY 99 N -1.64 0.93 2.90 0.44 0.00 -1.26 -5.06 105.19 101.51 1jjx n GLY 99 Ca -0.05 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 1jjx n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjx s LYS 100 N -3.28 0.31 -0.07 1.61 1.02 -0.01 -5.16 119.74 114.17 1jjx s LYS 100 Ca 0.00 -0.08 0.01 0.00 0.02 0.00 0.00 55.97 55.91 1jjx s LYS 100 Cb 0.00 -0.35 0.02 0.00 -0.52 0.00 0.00 37.83 36.99 1jjx s LYS 100 CO 0.00 0.03 -0.07 -2.00 -0.92 0.00 0.00 175.35 172.39 1jjx s GLU 101 N 0.19 1.23 -0.03 1.68 2.12 -1.26 -1.40 118.70 121.23 1jjx s GLU 101 Ca -0.02 -0.20 0.05 0.00 0.36 0.00 0.00 54.97 55.17 1jjx s GLU 101 Cb -0.05 -1.22 -0.01 0.00 0.26 0.00 0.00 34.13 33.11 1jjx s GLU 101 CO -0.00 -0.14 -0.18 -0.08 -0.54 0.00 0.00 175.26 174.32 1jjx s THR 102 N 1.23 1.46 -0.06 -1.70 -1.32 -0.96 -4.61 115.64 109.68 1jjx s THR 102 Ca -0.05 -0.76 0.06 0.00 -1.21 0.00 0.00 61.69 59.73 1jjx s THR 102 Cb -0.14 -1.23 -0.01 0.00 -1.51 0.00 0.00 72.50 69.61 1jjx s THR 102 CO -0.02 0.42 -0.25 0.54 -2.21 0.00 0.00 174.62 173.10 1jjx s ASN 103 N -0.22 3.05 -0.45 8.08 2.20 -0.92 -0.90 114.94 125.79 1jjx s ASN 103 Ca 0.02 -0.51 -0.13 0.00 -0.94 0.00 0.00 52.86 51.30 1jjx s ASN 103 Cb -0.09 -0.83 0.07 0.00 -2.00 0.00 0.00 41.25 38.40 1jjx s ASN 103 CO 0.01 0.24 0.34 -0.36 -2.94 0.00 0.00 177.10 174.39 1jjx s PHE 104 N -0.16 3.28 -0.76 1.54 0.40 -0.41 -1.75 117.98 120.12 1jjx s PHE 104 Ca -0.04 -1.17 -0.20 0.00 -0.60 0.00 0.00 56.93 54.92 1jjx s PHE 104 Cb -0.14 -3.06 0.10 0.00 0.51 0.00 0.00 43.02 40.43 1jjx s PHE 104 CO 0.04 -0.81 0.98 0.08 0.70 0.00 0.00 175.22 176.21 1jjx s VAL 105 N 1.55 4.58 -0.49 -0.44 1.01 0.24 -2.02 120.40 124.83 1jjx s VAL 105 Ca 0.04 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 1jjx s VAL 105 Cb -0.24 -4.69 0.05 0.00 0.00 0.00 0.00 36.38 31.51 1jjx s VAL 105 CO 0.05 -1.42 0.57 -0.60 0.00 0.00 0.00 175.10 173.69 1jjx s ARG 106 N 3.24 3.10 0.03 2.72 3.52 -0.30 -0.80 118.95 130.47 1jjx s ARG 106 Ca 0.24 -0.92 0.06 0.00 -0.13 0.00 0.00 55.73 54.99 1jjx s ARG 106 Cb -0.13 -4.08 -0.02 0.00 -1.56 0.00 0.00 34.95 29.16 1jjx s ARG 106 CO 0.01 -1.13 -0.18 -1.83 -0.81 0.00 0.00 175.30 171.36 1jjx s GLU 107 N 2.42 1.27 -0.23 5.12 -1.05 -1.20 -1.77 118.70 123.27 1jjx s GLU 107 Ca 0.13 -0.85 -0.26 0.00 -0.15 0.00 0.00 54.97 53.84 1jjx s GLU 107 Cb -0.19 -1.34 -0.00 0.00 -0.44 0.00 0.00 34.13 32.16 1jjx s GLU 107 CO 0.12 0.34 0.91 0.42 0.95 0.00 0.00 175.26 178.00 1jjx s ILE 108 N -0.75 4.78 -0.34 1.83 -1.09 -1.26 -1.04 121.20 123.33 1jjx s ILE 108 Ca 0.06 1.75 0.01 0.00 -2.23 0.00 0.00 60.65 60.24 1jjx s ILE 108 Cb -0.08 -4.19 0.11 0.00 -1.58 0.00 0.00 42.46 36.71 1jjx s ILE 108 CO 0.01 -0.10 0.11 -0.75 -1.23 0.00 0.00 174.94 172.97 1jjx s LYS 109 N 2.91 1.04 -1.15 2.79 2.47 0.22 -4.89 119.74 123.14 1jjx s LYS 109 Ca 0.39 -1.46 -0.13 0.00 -1.56 0.00 0.00 55.97 53.20 1jjx s LYS 109 Cb -0.15 -2.42 -0.02 0.00 -1.46 0.00 0.00 37.83 33.78 1jjx s LYS 109 CO 0.07 -1.00 0.81 -3.47 0.16 0.00 0.00 175.35 171.92 1jjx n ASP 110 N 4.47 -4.95 0.00 1.43 2.03 -1.26 -3.04 116.55 115.23 1jjx n ASP 110 Ca 0.01 -0.91 0.00 0.00 0.52 0.00 0.00 54.79 54.42 1jjx n ASP 110 Cb 0.41 -3.96 0.00 0.00 -0.72 0.00 0.00 41.12 36.84 1jjx n ASP 110 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jjx n GLY 111 N -1.55 2.20 3.79 0.27 0.00 -1.26 -5.04 105.19 103.60 1jjx n GLY 111 Ca -0.12 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 1jjx n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jjx s LYS 112 N 0.00 4.48 -0.52 1.61 1.02 -1.17 -4.76 119.74 120.39 1jjx s LYS 112 Ca 0.00 1.22 -0.29 0.00 0.02 0.00 0.00 55.97 56.93 1jjx s LYS 112 Cb 0.00 -2.71 0.03 0.00 -0.52 0.00 0.00 37.83 34.63 1jjx s LYS 112 CO 0.00 0.24 1.16 1.41 -0.92 0.00 0.00 175.35 177.24 1jjx s MET 113 N -2.24 3.62 -0.53 1.68 -2.45 -0.47 -0.61 119.30 118.31 1jjx s MET 113 Ca 0.51 0.41 -0.15 0.00 -1.25 0.00 0.00 55.69 55.21 1jjx s MET 113 Cb -0.17 -3.96 0.12 0.00 1.25 0.00 0.00 34.83 32.08 1jjx s MET 113 CO 0.22 -1.52 0.47 0.08 1.05 0.00 0.00 175.02 175.32 1jjx s VAL 114 N 4.66 5.10 -0.52 10.11 1.01 -0.21 -1.19 120.40 139.37 1jjx s VAL 114 Ca 0.45 -1.50 -0.17 0.00 0.00 0.00 0.00 61.98 60.77 1jjx s VAL 114 Cb -0.07 -4.26 0.09 0.00 0.00 0.00 0.00 36.38 32.14 1jjx s VAL 114 CO 0.29 -0.84 0.50 -0.32 0.00 0.00 0.00 175.10 174.74 1jjx s MET 115 N 1.58 3.01 -0.68 2.72 1.75 -0.62 -3.21 119.30 123.86 1jjx s MET 115 Ca 0.03 -1.40 -0.17 0.00 -1.25 0.00 0.00 55.69 52.91 1jjx s MET 115 Cb -0.29 -4.20 0.15 0.00 2.84 0.00 0.00 34.83 33.33 1jjx s MET 115 CO 0.03 -1.22 0.70 0.99 -0.65 0.00 0.00 175.02 174.86 1jjx s THR 116 N 1.91 5.16 -0.49 10.11 2.01 0.02 -2.80 115.64 131.56 1jjx s THR 116 Ca 0.06 -1.63 -0.19 0.00 0.31 0.00 0.00 61.69 60.24 1jjx s THR 116 Cb -0.25 -4.46 0.05 0.00 0.01 0.00 0.00 72.50 67.84 1jjx s THR 116 CO 0.06 -1.05 0.62 -0.76 -0.69 0.00 0.00 174.62 172.79 1jjx s LEU 117 N 1.62 4.84 -0.30 4.42 1.02 0.71 -0.59 118.68 130.41 1jjx s LEU 117 Ca 0.13 -0.76 -0.11 0.00 0.02 0.00 0.00 54.13 53.40 1jjx s LEU 117 Cb -0.20 -2.50 -0.03 0.00 0.02 0.00 0.00 46.19 43.47 1jjx s LEU 117 CO -0.01 -0.85 0.18 0.28 0.02 0.00 0.00 176.35 175.98 1jjx s THR 118 N 2.65 5.07 -1.04 5.49 -1.32 -0.72 -0.78 115.64 124.98 1jjx s THR 118 Ca 0.17 -0.07 -0.06 0.00 -1.21 0.00 0.00 61.69 60.52 1jjx s THR 118 Cb -0.18 -3.49 0.27 0.00 -1.51 0.00 0.00 72.50 67.60 1jjx s THR 118 CO 0.14 0.16 1.12 0.33 -2.21 0.00 0.00 174.62 174.16 1jjx n PHE 119 N 5.04 4.25 0.00 9.09 7.35 -0.40 -2.16 117.46 140.64 1jjx n PHE 119 Ca -0.14 -3.64 0.00 0.00 -0.76 0.00 0.00 57.45 52.91 1jjx n PHE 119 Cb 0.51 -1.42 0.00 0.00 0.35 0.00 0.00 39.48 38.91 1jjx n PHE 119 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1jjx n GLY 120 N 2.17 1.34 0.21 7.13 0.00 -1.26 -2.41 105.19 112.37 1jjx n GLY 120 Ca 0.24 0.28 0.10 0.00 0.00 0.00 0.00 46.02 46.65 1jjx n GLY 120 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jjx h ASP 121 N 0.00 0.00 -2.89 1.61 5.19 -2.01 -3.44 116.42 114.89 1jjx h ASP 121 Ca 0.00 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.80 1jjx h ASP 121 Cb 0.00 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 39.38 1jjx h ASP 121 CO 0.00 0.17 0.62 -0.69 -3.12 0.00 0.00 179.24 176.22 1jjx s VAL 122 N -3.32 4.28 -0.35 -1.35 1.01 -1.01 -5.01 120.40 114.65 1jjx s VAL 122 Ca 0.04 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 1jjx s VAL 122 Cb 0.07 -4.64 0.05 0.00 0.00 0.00 0.00 36.38 31.86 1jjx s VAL 122 CO 0.66 -1.34 0.12 -0.69 0.00 0.00 0.00 175.10 173.85 1jjx s VAL 123 N 4.21 3.68 -0.13 2.92 1.01 -1.26 -1.27 120.40 129.57 1jjx s VAL 123 Ca 0.28 -1.27 -0.10 0.00 0.00 0.00 0.00 61.98 60.88 1jjx s VAL 123 Cb -0.14 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 1jjx s VAL 123 CO 0.15 -0.25 0.20 0.00 0.00 0.00 0.00 175.10 175.20 1jjx s ALA 124 N 1.36 3.76 -0.14 5.51 0.00 0.04 -4.20 121.76 128.09 1jjx s ALA 124 Ca -0.01 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 1jjx s ALA 124 Cb -0.20 -2.15 0.04 0.00 0.00 0.00 0.00 23.12 20.81 1jjx s ALA 124 CO 0.02 0.40 -0.02 0.08 0.00 0.00 0.00 175.76 176.23 1jjx s VAL 125 N -0.44 0.79 -0.01 0.00 1.01 -1.26 -0.21 120.40 120.29 1jjx s VAL 125 Ca 0.15 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 61.81 1jjx s VAL 125 Cb -0.13 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 1jjx s VAL 125 CO 0.04 0.11 -0.25 -0.13 0.00 0.00 0.00 175.10 174.86 1jjx s ARG 126 N 1.78 1.97 -0.44 2.72 0.52 -1.12 -0.61 118.95 123.76 1jjx s ARG 126 Ca 0.02 -0.93 -0.06 0.00 -0.52 0.00 0.00 55.73 54.24 1jjx s ARG 126 Cb -0.15 -1.95 0.11 0.00 0.52 0.00 0.00 34.95 33.49 1jjx s ARG 126 CO -0.07 0.53 0.27 -1.01 0.02 0.00 0.00 175.30 175.03 1jjx s HIS 127 N -0.63 3.51 -0.16 -0.53 3.76 -0.08 -1.58 115.29 119.58 1jjx s HIS 127 Ca 0.10 -2.16 -0.07 0.00 -0.15 0.00 0.00 55.06 52.78 1jjx s HIS 127 Cb -0.10 -3.34 -0.04 0.00 1.11 0.00 0.00 32.58 30.22 1jjx s HIS 127 CO -0.00 -0.98 0.07 0.71 -0.85 0.00 0.00 174.74 173.68 1jjx s TYR 128 N 1.24 3.29 0.10 1.40 1.51 -0.33 -0.89 117.35 123.67 1jjx s TYR 128 Ca 0.07 0.15 0.02 0.00 -1.01 0.00 0.00 57.07 56.30 1jjx s TYR 128 Cb -0.24 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.54 1jjx s TYR 128 CO -0.03 0.27 0.16 -1.21 -1.11 0.00 0.00 175.55 173.63 1jjx s GLU 129 N 0.05 3.12 0.18 -0.62 0.41 -0.33 -1.37 118.70 120.15 1jjx s GLU 129 Ca 0.06 -0.63 -0.30 0.00 -0.41 0.00 0.00 54.97 53.68 1jjx s GLU 129 Cb -0.12 -2.84 -0.08 0.00 -1.78 0.00 0.00 34.13 29.31 1jjx s GLU 129 CO 0.01 0.56 1.15 0.15 -0.49 0.00 0.00 175.26 176.64 1jjx s LYS 130 N -2.66 4.54 0.00 1.61 1.02 -1.26 -0.34 119.74 122.64 1jjx s LYS 130 Ca 0.32 1.80 0.23 0.00 0.02 0.00 0.00 55.97 58.34 1jjx s LYS 130 Cb -0.12 -3.26 0.18 0.00 -0.52 0.00 0.00 37.83 34.11 1jjx s LYS 130 CO 0.25 -0.02 1.22 0.00 -0.92 0.00 0.00 175.35 175.88