#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kj2 n THR 2 N 0.00 -0.48 -0.03 2.52 -1.04 -1.26 -4.99 114.28 109.00 1kj2 n THR 2 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1kj2 n THR 2 Cb 0.00 -2.42 -0.05 0.00 -1.82 0.00 0.00 70.33 66.04 1kj2 n THR 2 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1kj2 n LEU 3 N -1.11 0.24 -4.67 -4.42 7.99 -1.26 -4.79 117.00 108.98 1kj2 n LEU 3 Ca 0.00 -0.00 -0.26 0.00 -0.01 0.00 0.00 56.01 55.73 1kj2 n LEU 3 Cb 0.44 0.13 -0.09 0.00 -0.11 0.00 0.00 43.42 43.78 1kj2 n LEU 3 CO 0.00 0.20 -0.23 -0.76 -1.51 0.00 0.00 177.39 175.09 1kj2 s LEU 4 N -4.58 2.99 -0.26 2.23 1.43 -1.26 0.23 118.68 119.46 1kj2 s LEU 4 Ca -0.04 -1.23 -0.02 0.00 -1.03 0.00 0.00 54.13 51.82 1kj2 s LEU 4 Cb 0.02 -1.16 0.12 0.00 0.03 0.00 0.00 46.19 45.21 1kj2 s LEU 4 CO 0.27 -0.48 0.27 -0.70 0.23 0.00 0.00 176.35 175.94 1kj2 s GLU 5 N -3.80 0.28 -0.14 1.70 2.12 -0.06 -4.84 118.70 113.97 1kj2 s GLU 5 Ca 0.38 0.00 -0.00 0.00 0.36 0.00 0.00 54.97 55.71 1kj2 s GLU 5 Cb 0.07 -0.82 -0.01 0.00 0.26 0.00 0.00 34.13 33.63 1kj2 s GLU 5 CO 0.20 -0.89 -0.13 -1.14 -0.54 0.00 0.00 175.26 172.77 1kj2 s GLN 6 N 2.36 3.37 0.02 4.30 0.74 -1.26 -1.36 119.66 127.83 1kj2 s GLN 6 Ca 0.09 -0.69 -0.06 0.00 0.05 0.00 0.00 55.36 54.75 1kj2 s GLN 6 Cb -0.15 -2.66 -0.00 0.00 1.10 0.00 0.00 33.01 31.30 1kj2 s GLN 6 CO -0.26 0.17 0.11 -0.80 -0.55 0.00 0.00 175.29 173.96 1kj2 s ASN 7 N 0.47 0.09 1.05 6.67 0.01 -1.23 -4.64 114.94 117.35 1kj2 s ASN 7 Ca -0.09 -0.33 -0.17 0.00 -0.71 0.00 0.00 52.86 51.56 1kj2 s ASN 7 Cb -0.16 0.20 0.23 0.00 0.41 0.00 0.00 41.25 41.94 1kj2 s ASN 7 CO 0.04 -0.41 1.23 -0.81 -1.51 0.00 0.00 177.10 175.65 1kj2 n PRO 8 N 1.25 -1.60 -0.01 -0.60 -0.04 -1.26 -3.98 135.00 128.76 1kj2 n PRO 8 Ca -0.22 -1.91 -0.02 0.00 -0.04 0.00 0.00 63.50 61.31 1kj2 n PRO 8 Cb 0.56 -1.36 -0.12 0.00 -0.04 0.00 0.00 33.50 32.54 1kj2 n PRO 8 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1kj2 n ARG 9 N -3.90 0.64 -3.92 0.54 0.63 -1.26 -4.40 116.66 104.99 1kj2 n ARG 9 Ca 0.16 0.12 -0.10 0.00 -0.92 0.00 0.00 57.85 57.10 1kj2 n ARG 9 Cb 0.56 -1.70 -0.11 0.00 0.45 0.00 0.00 32.46 31.65 1kj2 n ARG 9 CO 0.00 0.00 0.00 -0.46 -2.51 0.00 0.00 177.63 174.66 1kj2 s TRP 10 N -2.87 0.12 -0.05 -0.14 -0.00 -1.26 -1.51 118.94 113.22 1kj2 s TRP 10 Ca -0.05 -0.25 -0.28 0.00 -0.00 0.00 0.00 56.10 55.52 1kj2 s TRP 10 Cb 0.09 -0.10 0.06 0.00 -0.00 0.00 0.00 33.47 33.52 1kj2 s TRP 10 CO 0.83 -0.17 0.62 0.50 -0.00 0.00 0.00 176.95 178.73 1kj2 s ARG 11 N -1.04 0.98 -0.09 5.86 6.06 0.23 -4.88 118.95 126.07 1kj2 s ARG 11 Ca -0.11 0.22 -0.01 0.00 -2.50 0.00 0.00 55.73 53.32 1kj2 s ARG 11 Cb -0.07 0.46 -0.03 0.00 0.06 0.00 0.00 34.95 35.37 1kj2 s ARG 11 CO -0.00 -0.29 -0.02 -0.51 -2.50 0.00 0.00 175.30 171.97 1kj2 s LEU 12 N -1.13 3.42 -0.19 -0.88 1.43 -1.26 -2.00 118.68 118.06 1kj2 s LEU 12 Ca -0.11 0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1kj2 s LEU 12 Cb -0.01 -1.78 0.05 0.00 0.03 0.00 0.00 46.19 44.48 1kj2 s LEU 12 CO 0.09 0.34 -0.06 0.54 0.23 0.00 0.00 176.35 177.48 1kj2 s VAL 13 N -0.66 1.29 -0.03 -1.59 0.11 -0.77 -4.89 120.40 113.86 1kj2 s VAL 13 Ca 0.10 -0.83 -0.30 0.00 -2.93 0.00 0.00 61.98 58.03 1kj2 s VAL 13 Cb -0.12 -1.48 -0.08 0.00 -1.53 0.00 0.00 36.38 33.18 1kj2 s VAL 13 CO 0.02 0.08 2.04 -0.81 -3.33 0.00 0.00 175.10 173.11 1kj2 n PRO 14 N 4.80 2.64 0.00 1.54 -0.04 -1.26 0.14 135.00 142.81 1kj2 n PRO 14 Ca -0.13 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 1kj2 n PRO 14 Cb 0.47 -3.07 0.00 0.00 -0.04 0.00 0.00 33.50 30.86 1kj2 n PRO 14 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1kj2 n ARG 15 N 7.86 0.00 -0.02 0.54 1.85 -1.26 -0.38 116.66 125.25 1kj2 n ARG 15 Ca 0.23 0.21 0.00 0.00 -1.00 0.00 0.00 57.85 57.29 1kj2 n ARG 15 Cb 0.42 -1.77 -0.13 0.00 -1.05 0.00 0.00 32.46 29.93 1kj2 n ARG 15 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1kj2 n GLY 16 N -1.20 -1.09 3.97 2.89 0.00 -1.26 -4.81 105.19 103.69 1kj2 n GLY 16 Ca 0.00 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 1kj2 n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kj2 s GLN 17 N -2.96 3.23 0.24 1.61 1.11 0.49 -4.88 119.66 118.50 1kj2 s GLN 17 Ca -0.06 -0.74 0.05 0.00 0.01 0.00 0.00 55.36 54.62 1kj2 s GLN 17 Cb 0.09 -2.76 -0.03 0.00 -1.01 0.00 0.00 33.01 29.30 1kj2 s GLN 17 CO 0.84 0.09 0.30 0.00 0.01 0.00 0.00 175.29 176.53 1kj2 s ALA 18 N -2.23 3.82 0.24 6.09 0.00 -1.26 -4.59 121.76 123.83 1kj2 s ALA 18 Ca 0.42 -1.28 0.11 0.00 0.00 0.00 0.00 51.96 51.21 1kj2 s ALA 18 Cb -0.10 -1.60 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 1kj2 s ALA 18 CO 0.33 0.27 -0.13 0.08 0.00 0.00 0.00 175.76 176.30 1kj2 s VAL 19 N -2.01 2.87 -0.31 0.00 1.01 0.75 -4.94 120.40 117.77 1kj2 s VAL 19 Ca 0.34 -2.05 -0.00 0.00 0.00 0.00 0.00 61.98 60.26 1kj2 s VAL 19 Cb -0.09 -2.48 0.10 0.00 0.00 0.00 0.00 36.38 33.91 1kj2 s VAL 19 CO 0.28 -0.28 0.09 0.20 0.00 0.00 0.00 175.10 175.38 1kj2 s ASN 20 N -3.27 4.05 0.43 3.32 -0.87 -1.26 0.06 114.94 117.40 1kj2 s ASN 20 Ca 0.28 -1.64 -0.09 0.00 -1.57 0.00 0.00 52.86 49.84 1kj2 s ASN 20 Cb -0.07 -0.93 -0.06 0.00 -0.02 0.00 0.00 41.25 40.17 1kj2 s ASN 20 CO 0.15 -0.40 0.79 -0.76 -2.57 0.00 0.00 177.10 174.31 1kj2 s LEU 21 N 1.56 3.76 -0.07 0.60 2.01 0.21 -4.95 118.68 121.79 1kj2 s LEU 21 Ca 0.09 1.11 -0.06 0.00 0.01 0.00 0.00 54.13 55.28 1kj2 s LEU 21 Cb -0.17 -4.01 0.02 0.00 0.01 0.00 0.00 46.19 42.03 1kj2 s LEU 21 CO -0.22 -0.46 0.18 0.00 1.01 0.00 0.00 176.35 176.86 1kj2 s ARG 22 N -4.10 0.21 -0.11 1.70 1.70 -1.26 -1.89 118.95 115.20 1kj2 s ARG 22 Ca 0.51 0.26 0.03 0.00 -0.47 0.00 0.00 55.73 56.06 1kj2 s ARG 22 Cb -0.10 0.09 0.01 0.00 -0.57 0.00 0.00 34.95 34.38 1kj2 s ARG 22 CO 0.35 -0.03 -0.21 0.00 -1.08 0.00 0.00 175.30 174.33 1kj2 s ILE 24 N 0.60 3.84 0.01 0.00 -1.09 -0.46 -0.89 121.20 123.21 1kj2 s ILE 24 Ca -0.13 -0.55 -0.30 0.00 -2.23 0.00 0.00 60.65 57.44 1kj2 s ILE 24 Cb -0.17 -2.89 -0.04 0.00 -1.58 0.00 0.00 42.46 37.79 1kj2 s ILE 24 CO 0.04 0.23 1.12 -0.22 -1.23 0.00 0.00 174.94 174.87 1kj2 s LEU 25 N 1.51 4.34 -0.05 2.97 2.96 0.33 -0.88 118.68 129.86 1kj2 s LEU 25 Ca 0.04 1.83 -0.03 0.00 -0.22 0.00 0.00 54.13 55.75 1kj2 s LEU 25 Cb -0.16 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 1kj2 s LEU 25 CO 0.01 -0.42 -0.07 0.50 -1.32 0.00 0.00 176.35 175.05 1kj2 h LYS 26 N 6.94 0.00 -6.03 1.98 3.64 0.25 -3.46 116.57 119.89 1kj2 h LYS 26 Ca -0.39 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.42 1kj2 h LYS 26 Cb 1.20 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.96 1kj2 h LYS 26 CO 0.81 0.00 0.39 1.21 -2.27 0.00 0.00 179.45 179.58 1kj2 s ASN 27 N -4.35 7.03 0.00 4.20 3.84 -1.21 -4.95 114.94 119.50 1kj2 s ASN 27 Ca -0.05 1.26 0.29 0.00 0.21 0.00 0.00 52.86 54.57 1kj2 s ASN 27 Cb 0.01 -2.47 1.32 0.00 -0.55 0.00 0.00 41.25 39.55 1kj2 s ASN 27 CO 0.08 -0.37 1.96 -0.24 -2.79 0.00 0.00 177.10 175.74 1kj2 n SER 28 N 4.96 0.00 0.04 -4.21 2.88 -1.26 -3.50 113.62 112.53 1kj2 n SER 28 Ca 0.05 0.27 0.06 0.00 -1.33 0.00 0.00 58.87 57.91 1kj2 n SER 28 Cb 0.49 -0.42 0.26 0.00 -0.75 0.00 0.00 64.21 63.79 1kj2 n SER 28 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1kj2 n GLN 29 N -1.42 0.05 -3.61 -1.46 6.02 -1.26 -3.46 117.38 112.24 1kj2 n GLN 29 Ca 0.09 0.43 -0.27 0.00 -0.01 0.00 0.00 57.00 57.24 1kj2 n GLN 29 Cb 0.30 -1.62 -0.10 0.00 1.02 0.00 0.00 30.24 29.84 1kj2 n GLN 29 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1kj2 n TYR 30 N -1.71 2.30 -0.09 1.08 4.01 -1.23 -4.55 117.16 116.97 1kj2 n TYR 30 Ca 0.01 -4.03 0.02 0.00 -0.16 0.00 0.00 57.90 53.75 1kj2 n TYR 30 Cb 0.09 -0.43 0.33 0.00 -0.31 0.00 0.00 39.34 39.02 1kj2 n TYR 30 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1kj2 h PRO 30 N 4.94 0.72 -6.27 -0.72 0.11 -1.56 -3.33 132.00 125.88 1kj2 h PRO 30 Ca 0.18 -0.06 -0.56 0.00 0.11 0.00 0.00 66.00 65.66 1kj2 h PRO 30 Cb 0.77 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.69 1kj2 h PRO 30 CO 0.67 0.51 1.04 -1.58 -0.21 0.00 0.00 178.00 178.42 1kj2 s TRP 31 N -5.55 2.39 -0.06 0.65 0.52 -1.03 -4.70 118.94 111.16 1kj2 s TRP 31 Ca -0.09 0.68 0.06 0.00 0.02 0.00 0.00 56.10 56.76 1kj2 s TRP 31 Cb 0.17 -3.86 -0.02 0.00 -1.15 0.00 0.00 33.47 28.61 1kj2 s TRP 31 CO 0.76 -2.47 -0.23 -1.64 0.02 0.00 0.00 176.95 173.39 1kj2 s MET 32 N 4.24 2.53 0.34 4.98 -1.94 -0.68 -0.39 119.30 128.38 1kj2 s MET 32 Ca 0.64 -0.86 0.03 0.00 -1.71 0.00 0.00 55.69 53.80 1kj2 s MET 32 Cb -0.23 -2.21 -0.05 0.00 2.01 0.00 0.00 34.83 34.35 1kj2 s MET 32 CO 0.25 0.44 0.07 -1.12 -0.01 0.00 0.00 175.02 174.65 1kj2 s SER 33 N -0.29 2.36 -0.08 3.03 0.01 -0.69 0.14 113.70 118.19 1kj2 s SER 33 Ca 0.01 -1.43 -0.00 0.00 1.31 0.00 0.00 55.95 55.83 1kj2 s SER 33 Cb -0.13 0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.18 1kj2 s SER 33 CO 0.02 -0.68 -0.04 0.26 0.41 0.00 0.00 173.24 173.22 1kj2 s TRP 34 N -3.32 0.96 0.13 2.43 0.23 -0.23 -2.42 118.94 116.72 1kj2 s TRP 34 Ca 0.34 -0.36 0.10 0.00 -2.03 0.00 0.00 56.10 54.15 1kj2 s TRP 34 Cb 0.08 -0.91 -0.04 0.00 0.03 0.00 0.00 33.47 32.63 1kj2 s TRP 34 CO 0.15 -0.35 -0.24 0.71 0.96 0.00 0.00 176.95 178.18 1kj2 s TYR 35 N 1.60 2.10 0.02 -1.98 1.51 0.20 0.47 117.35 121.28 1kj2 s TYR 35 Ca 0.00 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 55.73 1kj2 s TYR 35 Cb -0.13 -1.13 -0.02 0.00 -0.11 0.00 0.00 41.96 40.57 1kj2 s TYR 35 CO -0.04 0.31 -0.20 1.14 -1.11 0.00 0.00 175.55 175.65 1kj2 s GLN 36 N -2.10 1.40 -0.27 -0.62 -2.07 -0.43 0.11 119.66 115.69 1kj2 s GLN 36 Ca 0.12 -0.83 0.01 0.00 -1.82 0.00 0.00 55.36 52.83 1kj2 s GLN 36 Cb -0.10 -1.45 0.05 0.00 -1.09 0.00 0.00 33.01 30.43 1kj2 s GLN 36 CO 0.06 0.38 -0.07 -1.14 -1.32 0.00 0.00 175.29 173.20 1kj2 s GLN 37 N -0.92 2.38 0.91 9.60 0.74 0.66 -0.60 119.66 132.44 1kj2 s GLN 37 Ca 0.07 -1.28 -0.14 0.00 0.05 0.00 0.00 55.36 54.07 1kj2 s GLN 37 Cb -0.08 -3.00 0.15 0.00 1.10 0.00 0.00 33.01 31.18 1kj2 s GLN 37 CO 0.01 -0.57 1.19 0.16 -0.55 0.00 0.00 175.29 175.53 1kj2 s ASP 38 N 1.18 3.52 0.65 6.67 1.47 -0.95 -1.16 116.67 128.05 1kj2 s ASP 38 Ca -0.07 0.72 0.29 0.00 1.18 0.00 0.00 52.55 54.67 1kj2 s ASP 38 Cb -0.19 -1.12 1.55 0.00 -0.34 0.00 0.00 42.92 42.82 1kj2 s ASP 38 CO -0.04 -2.52 1.89 -0.07 0.68 0.00 0.00 175.17 175.12 1kj2 h LEU 39 N -1.48 0.00 -2.38 2.11 3.38 -1.92 0.20 115.31 115.21 1kj2 h LEU 39 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1kj2 h LEU 39 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1kj2 h LEU 39 CO 0.55 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.08 1kj2 n GLN 40 N -3.08 2.70 -0.96 1.13 0.00 -1.26 -4.95 117.38 110.95 1kj2 n GLN 40 Ca 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 57.00 54.75 1kj2 n GLN 40 Cb 0.46 -1.58 0.00 0.00 0.00 0.00 0.00 30.24 29.12 1kj2 n GLN 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1kj2 n LYS 41 N 1.16 0.00 -3.16 2.61 5.02 0.69 -5.04 118.16 119.43 1kj2 n LYS 41 Ca 0.21 0.40 -0.40 0.00 -2.02 0.00 0.00 58.31 56.50 1kj2 n LYS 41 Cb 0.60 -3.69 -0.07 0.00 -0.02 0.00 0.00 35.03 31.85 1kj2 n LYS 41 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1kj2 s GLN 42 N -1.60 4.13 0.19 1.97 1.11 -1.25 -4.82 119.66 119.39 1kj2 s GLN 42 Ca 0.00 0.48 -0.24 0.00 0.01 0.00 0.00 55.36 55.61 1kj2 s GLN 42 Cb 0.00 -3.62 -0.08 0.00 -1.01 0.00 0.00 33.01 28.30 1kj2 s GLN 42 CO 0.00 -0.32 0.78 -0.51 0.01 0.00 0.00 175.29 175.25 1kj2 s LEU 43 N 2.19 4.54 -0.20 2.90 2.01 -1.26 -2.24 118.68 126.62 1kj2 s LEU 43 Ca 0.25 1.62 -0.10 0.00 0.01 0.00 0.00 54.13 55.91 1kj2 s LEU 43 Cb -0.16 -3.39 0.07 0.00 0.01 0.00 0.00 46.19 42.72 1kj2 s LEU 43 CO 0.09 0.16 0.46 -1.58 1.01 0.00 0.00 176.35 176.50 1kj2 s GLN 44 N -1.35 0.43 0.44 1.70 0.74 0.23 -4.95 119.66 116.92 1kj2 s GLN 44 Ca 0.38 0.93 -0.26 0.00 0.05 0.00 0.00 55.36 56.47 1kj2 s GLN 44 Cb -0.22 0.11 -0.09 0.00 1.10 0.00 0.00 33.01 33.91 1kj2 s GLN 44 CO 0.25 -0.18 1.44 -0.46 -0.55 0.00 0.00 175.29 175.79 1kj2 s TRP 45 N 1.74 2.46 0.01 1.67 -0.00 -1.26 -1.31 118.94 122.26 1kj2 s TRP 45 Ca -0.08 1.25 -0.01 0.00 -0.00 0.00 0.00 56.10 57.26 1kj2 s TRP 45 Cb -0.09 -3.94 -0.01 0.00 -0.00 0.00 0.00 33.47 29.44 1kj2 s TRP 45 CO -0.14 -2.96 -0.02 1.28 -0.00 0.00 0.00 176.95 175.11 1kj2 n LEU 46 N -0.13 0.41 -3.89 5.86 4.77 0.18 -4.89 117.00 119.31 1kj2 n LEU 46 Ca 0.05 0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.99 1kj2 n LEU 46 Cb 0.41 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 1kj2 n LEU 46 CO 0.59 -0.19 0.09 -0.36 -1.33 0.00 0.00 177.39 176.19 1kj2 s PHE 47 N -2.03 0.22 -0.25 -1.77 0.40 -1.15 -4.96 117.98 108.43 1kj2 s PHE 47 Ca -0.02 -0.57 -0.02 0.00 -0.60 0.00 0.00 56.93 55.72 1kj2 s PHE 47 Cb 0.01 0.11 0.12 0.00 0.51 0.00 0.00 43.02 43.77 1kj2 s PHE 47 CO 0.02 -0.80 0.30 0.99 0.70 0.00 0.00 175.22 176.44 1kj2 s THR 48 N -3.94 -0.45 0.03 0.64 2.01 -1.26 -1.07 115.64 111.62 1kj2 s THR 48 Ca 0.15 -0.27 0.05 0.00 0.31 0.00 0.00 61.69 61.93 1kj2 s THR 48 Cb 0.02 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 1kj2 s THR 48 CO -0.01 -0.30 -0.11 -0.76 -0.69 0.00 0.00 174.62 172.76 1kj2 s LEU 49 N 2.41 2.96 -0.07 4.42 1.02 0.12 -4.94 118.68 124.60 1kj2 s LEU 49 Ca 0.09 -0.28 0.01 0.00 0.02 0.00 0.00 54.13 53.98 1kj2 s LEU 49 Cb -0.15 -1.73 -0.05 0.00 0.02 0.00 0.00 46.19 44.28 1kj2 s LEU 49 CO -0.23 0.25 -0.05 -1.14 0.02 0.00 0.00 176.35 175.20 1kj2 n ARG 50 N 1.39 0.66 -4.33 1.70 0.00 -1.26 -1.69 116.66 113.13 1kj2 n ARG 50 Ca -0.15 0.04 -0.25 0.00 -0.00 0.00 0.00 57.85 57.48 1kj2 n ARG 50 Cb 0.52 -1.15 -0.12 0.00 0.00 0.00 0.00 32.46 31.71 1kj2 n ARG 50 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1kj2 s SER 51 N -4.56 2.85 0.49 6.15 1.04 -1.26 -4.80 113.70 113.60 1kj2 s SER 51 Ca -0.09 -0.74 -0.22 0.00 0.48 0.00 0.00 55.95 55.39 1kj2 s SER 51 Cb 0.02 -0.17 -0.09 0.00 0.10 0.00 0.00 66.02 65.88 1kj2 s SER 51 CO 0.18 0.09 0.86 -2.65 0.98 0.00 0.00 173.24 172.71 1kj2 n PRO 52 N 0.88 1.01 0.00 4.02 -0.02 -1.26 -2.00 135.00 137.63 1kj2 n PRO 52 Ca -0.18 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1kj2 n PRO 52 Cb 0.54 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1kj2 n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kj2 n GLY 53 N 1.38 3.32 3.72 -1.23 0.00 -0.56 -5.01 105.19 106.81 1kj2 n GLY 53 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1kj2 n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kj2 s ASP 54 N -0.93 6.95 -0.02 1.61 -0.00 -0.85 -4.88 116.67 118.55 1kj2 s ASP 54 Ca 0.00 2.21 -0.03 0.00 -0.00 0.00 0.00 52.55 54.73 1kj2 s ASP 54 Cb 0.00 -2.59 0.00 0.00 -0.00 0.00 0.00 42.92 40.34 1kj2 s ASP 54 CO 0.00 -0.55 0.07 -1.59 -0.00 0.00 0.00 175.17 173.10 1kj2 s LYS 55 N 0.85 0.13 -0.13 8.23 -2.85 -1.26 -0.42 119.74 124.28 1kj2 s LYS 55 Ca 0.60 0.02 -0.11 0.00 -1.00 0.00 0.00 55.97 55.48 1kj2 s LYS 55 Cb -0.34 0.06 0.03 0.00 -2.06 0.00 0.00 37.83 35.53 1kj2 s LYS 55 CO 0.31 -0.02 0.34 -2.00 0.10 0.00 0.00 175.35 174.08 1kj2 s GLU 56 N -0.16 0.39 -0.10 1.78 2.12 -0.34 -5.01 118.70 117.37 1kj2 s GLU 56 Ca -0.02 0.49 0.01 0.00 0.36 0.00 0.00 54.97 55.81 1kj2 s GLU 56 Cb -0.02 0.17 -0.02 0.00 0.26 0.00 0.00 34.13 34.53 1kj2 s GLU 56 CO 0.00 -0.06 -0.14 0.14 -0.54 0.00 0.00 175.26 174.66 1kj2 s VAL 57 N 0.26 2.99 -0.02 3.70 -7.23 -1.26 -1.62 120.40 117.23 1kj2 s VAL 57 Ca -0.01 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 1kj2 s VAL 57 Cb -0.03 -2.22 0.02 0.00 0.56 0.00 0.00 36.38 34.71 1kj2 s VAL 57 CO -0.00 0.55 -0.00 -0.75 -0.31 0.00 0.00 175.10 174.59 1kj2 s LYS 58 N -0.04 0.18 0.02 4.82 2.20 -1.07 -5.00 119.74 120.86 1kj2 s LYS 58 Ca -0.03 0.05 0.05 0.00 -0.36 0.00 0.00 55.97 55.67 1kj2 s LYS 58 Cb -0.14 -0.32 -0.03 0.00 -1.51 0.00 0.00 37.83 35.83 1kj2 s LYS 58 CO 0.04 -0.08 -0.10 -1.54 -0.36 0.00 0.00 175.35 173.31 1kj2 s SER 59 N 0.65 4.35 0.09 1.43 1.04 -1.26 -0.66 113.70 119.34 1kj2 s SER 59 Ca -0.06 -0.25 -0.05 0.00 0.48 0.00 0.00 55.95 56.07 1kj2 s SER 59 Cb -0.09 -0.92 -0.02 0.00 0.10 0.00 0.00 66.02 65.09 1kj2 s SER 59 CO -0.01 0.27 0.11 -0.76 0.98 0.00 0.00 173.24 173.82 1kj2 s LEU 60 N -1.47 1.78 -0.20 2.42 1.02 0.54 -4.98 118.68 117.79 1kj2 s LEU 60 Ca 0.17 -0.87 -0.31 0.00 0.02 0.00 0.00 54.13 53.13 1kj2 s LEU 60 Cb -0.11 0.67 -0.08 0.00 0.02 0.00 0.00 46.19 46.69 1kj2 s LEU 60 CO 0.07 -0.70 2.13 -2.65 0.02 0.00 0.00 176.35 175.22 1kj2 n PRO 61 N -0.03 1.87 0.00 1.29 -0.02 -1.26 -0.94 135.00 135.92 1kj2 n PRO 61 Ca -0.12 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1kj2 n PRO 61 Cb 0.62 -2.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 1kj2 n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kj2 n GLY 62 N 5.61 2.15 3.51 -1.23 0.00 -1.26 -4.97 105.19 109.00 1kj2 n GLY 62 Ca 0.30 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 1kj2 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kj2 s ALA 63 N -2.16 -1.80 0.03 4.61 0.00 -0.12 -0.41 121.76 121.92 1kj2 s ALA 63 Ca 0.00 1.18 0.04 0.00 0.00 0.00 0.00 51.96 53.18 1kj2 s ALA 63 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1kj2 s ALA 63 CO 0.00 -0.50 -0.07 -0.51 0.00 0.00 0.00 175.76 174.68 1kj2 s ASP 64 N -1.74 4.57 0.14 0.00 1.11 -0.81 -0.34 116.67 119.60 1kj2 s ASP 64 Ca -0.03 -0.21 0.06 0.00 0.18 0.00 0.00 52.55 52.55 1kj2 s ASP 64 Cb -0.01 -1.02 -0.04 0.00 1.07 0.00 0.00 42.92 42.93 1kj2 s ASP 64 CO -0.01 0.25 -0.13 -0.31 1.18 0.00 0.00 175.17 176.16 1kj2 s TYR 65 N -1.07 1.38 -0.28 4.23 1.51 0.17 -2.48 117.35 120.81 1kj2 s TYR 65 Ca 0.19 -0.63 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 1kj2 s TYR 65 Cb -0.11 -0.70 0.15 0.00 -0.11 0.00 0.00 41.96 41.18 1kj2 s TYR 65 CO 0.10 0.15 0.37 -1.17 -1.11 0.00 0.00 175.55 173.88 1kj2 s LEU 66 N -2.80 -0.59 -0.09 -1.29 2.96 -1.02 -2.60 118.68 113.24 1kj2 s LEU 66 Ca 0.13 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.64 1kj2 s LEU 66 Cb -0.02 0.93 -0.04 0.00 0.50 0.00 0.00 46.19 47.56 1kj2 s LEU 66 CO 0.03 -0.35 0.08 0.00 -1.32 0.00 0.00 176.35 174.78 1kj2 s ALA 67 N 2.49 3.61 -0.05 5.97 0.00 -0.64 -1.29 121.76 131.86 1kj2 s ALA 67 Ca 0.10 -0.73 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 1kj2 s ALA 67 Cb -0.13 -1.73 0.01 0.00 0.00 0.00 0.00 23.12 21.27 1kj2 s ALA 67 CO -0.28 0.62 0.12 0.95 0.00 0.00 0.00 175.76 177.18 1kj2 s THR 68 N -0.99 -0.00 -0.49 0.00 -4.23 -0.04 -1.20 115.64 108.68 1kj2 s THR 68 Ca 0.15 0.01 -0.17 0.00 -1.18 0.00 0.00 61.69 60.51 1kj2 s THR 68 Cb -0.12 -0.18 0.07 0.00 1.34 0.00 0.00 72.50 73.61 1kj2 s THR 68 CO 0.05 0.01 0.49 -0.60 -0.54 0.00 0.00 174.62 174.02 1kj2 s ARG 69 N 0.15 3.03 0.06 3.99 6.06 0.44 0.20 118.95 132.88 1kj2 s ARG 69 Ca -0.01 -1.22 -0.12 0.00 -2.50 0.00 0.00 55.73 51.88 1kj2 s ARG 69 Cb -0.02 -4.14 -0.27 0.00 0.06 0.00 0.00 34.95 30.58 1kj2 s ARG 69 CO -0.00 -1.13 1.12 0.28 -2.50 0.00 0.00 175.30 173.07 1kj2 h VAL 70 N 5.81 1.32 -1.93 7.11 2.07 -1.33 -1.48 116.25 127.81 1kj2 h VAL 70 Ca -0.28 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 64.69 1kj2 h VAL 70 Cb 1.10 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 33.59 1kj2 h VAL 70 CO 0.93 0.77 0.00 0.35 0.02 0.00 0.00 177.57 179.64 1kj2 n THR 71 N -3.75 0.00 1.80 2.57 -2.24 -1.20 -4.58 114.28 106.88 1kj2 n THR 71 Ca -0.13 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.81 1kj2 n THR 71 Cb 0.99 0.00 0.88 0.00 -2.10 0.00 0.00 70.33 70.09 1kj2 n THR 71 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1kj2 n ASP 72 N -2.18 0.00 0.00 3.42 10.43 -1.26 -3.62 116.55 123.34 1kj2 n ASP 72 Ca 0.00 -0.73 0.00 0.00 2.57 0.00 0.00 54.79 56.63 1kj2 n ASP 72 Cb 0.00 -0.09 0.00 0.00 1.84 0.00 0.00 41.12 42.87 1kj2 n ASP 72 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1kj2 n THR 73 N -1.09 0.00 -3.98 -3.53 -2.24 -1.26 -4.90 114.28 97.27 1kj2 n THR 73 Ca 0.21 -0.23 -0.34 0.00 -2.27 0.00 0.00 64.05 61.41 1kj2 n THR 73 Cb 0.15 0.99 -0.15 0.00 -2.10 0.00 0.00 70.33 69.22 1kj2 n THR 73 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1kj2 s GLU 74 N -0.47 2.95 -0.17 -0.78 8.01 -1.24 0.12 118.70 127.12 1kj2 s GLU 74 Ca 0.00 -0.89 -0.04 0.00 0.01 0.00 0.00 54.97 54.05 1kj2 s GLU 74 Cb 0.00 -2.91 -0.02 0.00 -4.31 0.00 0.00 34.13 26.89 1kj2 s GLU 74 CO 0.00 -0.33 -0.04 -1.17 0.01 0.00 0.00 175.26 173.73 1kj2 s LEU 75 N 1.34 3.12 0.10 1.80 2.96 -0.07 -0.91 118.68 127.02 1kj2 s LEU 75 Ca 0.02 -0.22 0.07 0.00 -0.22 0.00 0.00 54.13 53.78 1kj2 s LEU 75 Cb -0.16 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 1kj2 s LEU 75 CO -0.06 0.11 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.86 1kj2 s ARG 76 N 0.71 2.18 -0.07 1.98 0.52 0.13 -0.26 118.95 124.14 1kj2 s ARG 76 Ca -0.02 -1.00 -0.03 0.00 -0.52 0.00 0.00 55.73 54.16 1kj2 s ARG 76 Cb -0.15 -2.33 0.04 0.00 0.52 0.00 0.00 34.95 33.03 1kj2 s ARG 76 CO 0.02 0.51 0.14 -1.17 0.02 0.00 0.00 175.30 174.82 1kj2 s LEU 77 N -2.20 0.26 -0.14 2.53 2.96 -0.79 -0.86 118.68 120.43 1kj2 s LEU 77 Ca 0.22 0.28 -0.00 0.00 -0.22 0.00 0.00 54.13 54.41 1kj2 s LEU 77 Cb -0.11 0.24 -0.01 0.00 0.50 0.00 0.00 46.19 46.81 1kj2 s LEU 77 CO 0.14 -0.21 -0.14 0.00 -1.32 0.00 0.00 176.35 174.82 1kj2 s GLN 78 N 1.87 3.33 -0.29 1.98 -2.07 -0.41 0.67 119.66 124.73 1kj2 s GLN 78 Ca -0.01 -0.71 -0.04 0.00 -1.82 0.00 0.00 55.36 52.78 1kj2 s GLN 78 Cb -0.12 -2.63 0.03 0.00 -1.09 0.00 0.00 33.01 29.19 1kj2 s GLN 78 CO -0.05 0.14 0.02 0.54 -1.32 0.00 0.00 175.29 174.62 1kj2 s VAL 79 N 0.53 3.41 0.42 3.63 0.11 0.11 -2.45 120.40 126.16 1kj2 s VAL 79 Ca -0.09 -0.98 0.07 0.00 -2.93 0.00 0.00 61.98 58.05 1kj2 s VAL 79 Cb -0.16 -2.81 -0.04 0.00 -1.53 0.00 0.00 36.38 31.85 1kj2 s VAL 79 CO 0.04 0.05 0.28 0.00 -3.33 0.00 0.00 175.10 172.14 1kj2 s ALA 80 N 1.39 3.83 -0.52 1.54 0.00 -1.04 -0.18 121.76 126.78 1kj2 s ALA 80 Ca -0.00 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 49.98 1kj2 s ALA 80 Cb -0.18 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.26 1kj2 s ALA 80 CO -0.00 -0.20 0.00 0.09 0.00 0.00 0.00 175.76 175.64 1kj2 n ASN 81 N -1.40 -2.38 -4.56 0.00 3.02 -1.26 -1.93 115.26 106.75 1kj2 n ASN 81 Ca 0.01 0.34 -0.26 0.00 -0.03 0.00 0.00 54.58 54.64 1kj2 n ASN 81 Cb 0.63 -2.12 -0.05 0.00 -0.61 0.00 0.00 39.78 37.64 1kj2 n ASN 81 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1kj2 s MET 82 N -4.91 2.22 0.25 3.52 -2.45 -1.26 -4.41 119.30 112.25 1kj2 s MET 82 Ca 0.00 0.31 -0.00 0.00 -1.25 0.00 0.00 55.69 54.75 1kj2 s MET 82 Cb 0.00 -4.80 0.30 0.00 1.25 0.00 0.00 34.83 31.58 1kj2 s MET 82 CO 0.00 -3.58 1.67 0.66 1.05 0.00 0.00 175.02 174.82 1kj2 h SER 83 N 13.41 0.61 -4.88 1.11 4.64 -1.04 -3.47 113.55 123.92 1kj2 h SER 83 Ca -0.04 -0.22 -0.42 0.00 -0.47 0.00 0.00 61.79 60.64 1kj2 h SER 83 Cb 1.06 -0.17 -0.14 0.00 -0.31 0.00 0.00 62.40 62.85 1kj2 h SER 83 CO 1.14 0.85 -0.55 -1.58 -0.87 0.00 0.00 176.83 175.83 1kj2 s GLN 84 N -4.50 1.62 0.41 4.77 2.00 -1.18 -4.98 119.66 117.80 1kj2 s GLN 84 Ca -0.08 -1.93 -0.23 0.00 -2.00 0.00 0.00 55.36 51.12 1kj2 s GLN 84 Cb 0.13 -0.04 -0.09 0.00 0.80 0.00 0.00 33.01 33.81 1kj2 s GLN 84 CO 0.81 -0.48 1.02 0.20 -0.50 0.00 0.00 175.29 176.34 1kj2 s GLY 85 N -3.37 2.67 0.02 2.59 0.00 -1.26 -4.81 107.32 103.16 1kj2 s GLY 85 Ca 0.36 0.63 -0.28 0.00 0.00 0.00 0.00 44.72 45.43 1kj2 s GLY 85 CO 0.19 1.03 0.67 1.09 0.00 0.00 0.00 173.10 176.08 1kj2 s ARG 86 N -2.64 1.11 -0.15 2.90 1.70 -1.02 -3.42 118.95 117.43 1kj2 s ARG 86 Ca 0.59 -0.03 0.02 0.00 -0.47 0.00 0.00 55.73 55.83 1kj2 s ARG 86 Cb -0.19 0.52 0.01 0.00 -0.57 0.00 0.00 34.95 34.72 1kj2 s ARG 86 CO 0.24 -0.41 -0.20 -0.08 -1.08 0.00 0.00 175.30 173.77 1kj2 s THR 87 N -2.20 2.20 -0.16 4.99 -1.32 -0.31 -1.06 115.64 117.79 1kj2 s THR 87 Ca -0.06 -0.92 -0.08 0.00 -1.21 0.00 0.00 61.69 59.42 1kj2 s THR 87 Cb -0.00 -1.90 -0.04 0.00 -1.51 0.00 0.00 72.50 69.04 1kj2 s THR 87 CO 0.00 0.54 0.13 -0.76 -2.21 0.00 0.00 174.62 172.32 1kj2 s LEU 90 N 0.91 4.26 -0.01 9.08 1.02 -0.30 -0.24 118.68 133.40 1kj2 s LEU 90 Ca -0.04 0.34 0.07 0.00 0.02 0.00 0.00 54.13 54.51 1kj2 s LEU 90 Cb -0.15 -2.07 -0.02 0.00 0.02 0.00 0.00 46.19 43.97 1kj2 s LEU 90 CO -0.04 0.29 -0.21 -0.31 0.02 0.00 0.00 176.35 176.11 1kj2 s TYR 91 N -0.33 2.48 -0.08 0.29 1.51 0.12 -0.84 117.35 120.50 1kj2 s TYR 91 Ca 0.11 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 55.86 1kj2 s TYR 91 Cb -0.12 -1.52 -0.03 0.00 -0.11 0.00 0.00 41.96 40.19 1kj2 s TYR 91 CO 0.01 0.10 -0.08 0.00 -1.11 0.00 0.00 175.55 174.47 1kj2 s THR 93 N -0.64 0.53 0.04 0.00 -4.23 -1.01 -4.52 115.64 105.81 1kj2 s THR 93 Ca 0.10 -1.99 -0.07 0.00 -1.18 0.00 0.00 61.69 58.55 1kj2 s THR 93 Cb -0.11 -2.46 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 1kj2 s THR 93 CO 0.02 -0.15 0.13 0.00 -0.54 0.00 0.00 174.62 174.08 1kj2 s SER 95 N -2.17 -0.18 -0.05 0.00 1.04 0.48 -4.14 113.70 108.68 1kj2 s SER 95 Ca -0.04 -0.73 -0.20 0.00 0.48 0.00 0.00 55.95 55.46 1kj2 s SER 95 Cb -0.01 0.64 -0.14 0.00 0.10 0.00 0.00 66.02 66.61 1kj2 s SER 95 CO -0.05 -1.20 0.83 0.00 0.98 0.00 0.00 173.24 173.81 1kj2 h ALA 96 N 2.15 -0.27 -2.22 5.32 0.00 -1.12 -2.70 119.26 120.42 1kj2 h ALA 96 Ca -0.24 -0.21 -0.38 0.00 0.00 0.00 0.00 54.91 54.08 1kj2 h ALA 96 Cb 1.25 0.10 -0.14 0.00 0.00 0.00 0.00 17.79 19.00 1kj2 h ALA 96 CO 0.31 -0.33 -0.72 0.00 0.00 0.00 0.00 179.25 178.51 1kj2 s ALA 97 N -3.75 1.71 0.30 0.00 0.00 -1.26 -4.55 121.76 114.22 1kj2 s ALA 97 Ca -0.12 -1.58 0.06 0.00 0.00 0.00 0.00 51.96 50.33 1kj2 s ALA 97 Cb 0.01 0.00 0.82 0.00 0.00 0.00 0.00 23.12 23.95 1kj2 s ALA 97 CO 0.44 -0.03 1.67 -1.35 0.00 0.00 0.00 175.76 176.49 1kj2 h PRO 98 N 2.67 0.32 -1.01 0.00 0.11 -1.95 -2.21 132.00 129.93 1kj2 h PRO 98 Ca -0.37 -0.02 -0.59 0.00 0.11 0.00 0.00 66.00 65.12 1kj2 h PRO 98 Cb 1.20 -0.07 -0.29 0.00 0.11 0.00 0.00 31.00 31.95 1kj2 h PRO 98 CO 0.63 0.21 0.76 -0.40 -0.21 0.00 0.00 178.00 178.99 1kj2 n ASP 99 N -5.10 5.89 -3.91 -2.05 5.68 -1.26 -4.94 116.55 110.87 1kj2 n ASP 99 Ca 0.25 -3.67 -0.09 0.00 -0.50 0.00 0.00 54.79 50.77 1kj2 n ASP 99 Cb 0.75 -0.92 -0.06 0.00 -1.14 0.00 0.00 41.12 39.76 1kj2 n ASP 99 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 1kj2 s TRP 100 N -3.51 0.25 0.00 2.11 -0.11 -0.83 -5.01 118.94 111.84 1kj2 s TRP 100 Ca 0.60 -0.60 0.00 0.00 1.22 0.00 0.00 56.10 57.31 1kj2 s TRP 100 Cb 0.48 0.12 0.00 0.00 -1.50 0.00 0.00 33.47 32.57 1kj2 s TRP 100 CO 0.04 -0.83 0.00 0.41 -4.62 0.00 0.00 176.95 171.95 1kj2 n GLY 101 N -0.29 0.69 0.00 5.86 0.00 0.16 -4.40 105.19 107.21 1kj2 n GLY 101 Ca -0.07 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1kj2 n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kj2 n ALA 102 N -3.00 0.00 0.17 4.61 0.00 -1.26 -0.86 120.51 120.17 1kj2 n ALA 102 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1kj2 n ALA 102 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 1kj2 n ALA 102 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1kj2 n SER 103 N -0.38 2.91 -4.44 0.00 3.41 -1.26 -3.94 113.62 109.91 1kj2 n SER 103 Ca 0.00 -1.85 -0.22 0.00 -0.26 0.00 0.00 58.87 56.53 1kj2 n SER 103 Cb 0.00 -0.18 -0.10 0.00 -0.26 0.00 0.00 64.21 63.66 1kj2 n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kj2 s ALA 104 N -1.17 2.48 0.51 7.33 0.00 -1.26 -5.05 121.76 124.60 1kj2 s ALA 104 Ca 0.27 -1.89 0.35 0.00 0.00 0.00 0.00 51.96 50.69 1kj2 s ALA 104 Cb 0.16 0.02 1.88 0.00 0.00 0.00 0.00 23.12 25.18 1kj2 s ALA 104 CO 0.22 0.04 2.21 1.49 0.00 0.00 0.00 175.76 179.73 1kj2 h GLU 105 N 2.27 0.00 -5.60 0.00 4.81 -1.93 0.47 114.58 114.61 1kj2 h GLU 105 Ca -0.40 0.00 -0.45 0.00 -0.13 0.00 0.00 59.36 58.38 1kj2 h GLU 105 Cb 1.24 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.45 1kj2 h GLU 105 CO 0.66 0.03 -0.76 -0.08 -0.73 0.00 0.00 179.01 178.13 1kj2 s THR 105 N -4.22 1.55 0.33 0.32 -1.32 -1.26 -3.02 115.64 108.02 1kj2 s THR 105 Ca -0.04 -1.87 -0.29 0.00 -1.21 0.00 0.00 61.69 58.28 1kj2 s THR 105 Cb 0.13 -1.73 -0.11 0.00 -1.51 0.00 0.00 72.50 69.29 1kj2 s THR 105 CO 0.51 -0.42 1.47 -0.22 -2.21 0.00 0.00 174.62 173.75 1kj2 s LEU 106 N -2.68 4.35 -0.16 9.08 2.96 -1.26 -4.21 118.68 126.75 1kj2 s LEU 106 Ca 0.14 2.90 -0.03 0.00 -0.22 0.00 0.00 54.13 56.91 1kj2 s LEU 106 Cb -0.04 -3.65 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 1kj2 s LEU 106 CO 0.05 -0.80 -0.04 -0.47 -1.32 0.00 0.00 176.35 173.76 1kj2 s TYR 107 N -0.67 2.99 -0.16 5.38 5.04 -1.26 -5.05 117.35 123.63 1kj2 s TYR 107 Ca 0.56 -0.42 -0.06 0.00 -2.44 0.00 0.00 57.07 54.70 1kj2 s TYR 107 Cb -0.45 -1.97 -0.04 0.00 0.35 0.00 0.00 41.96 39.85 1kj2 s TYR 107 CO 0.54 -0.13 0.06 -0.06 -1.34 0.00 0.00 175.55 174.62 1kj2 s PHE 108 N 0.55 3.28 0.00 4.97 0.08 -1.26 -4.70 117.98 120.90 1kj2 s PHE 108 Ca -0.03 0.15 0.00 0.00 0.12 0.00 0.00 56.93 57.17 1kj2 s PHE 108 Cb -0.14 -2.01 0.00 0.00 -0.57 0.00 0.00 43.02 40.30 1kj2 s PHE 108 CO 0.03 0.29 0.00 0.41 -0.10 0.00 0.00 175.22 175.85 1kj2 n GLY 109 N 3.06 0.74 0.12 4.36 0.00 -1.26 -4.94 105.19 107.27 1kj2 n GLY 109 Ca -0.17 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.27 1kj2 n GLY 109 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kj2 h SER 110 N 0.00 0.00 -2.41 1.61 4.64 -1.97 -3.50 113.55 111.92 1kj2 h SER 110 Ca 0.00 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.46 1kj2 h SER 110 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1kj2 h SER 110 CO 0.00 0.00 -0.18 0.61 -0.87 0.00 0.00 176.83 176.39 1kj2 n GLY 111 N 1.20 -1.52 3.13 -0.77 0.00 -1.26 -4.77 105.19 101.20 1kj2 n GLY 111 Ca 0.05 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 1kj2 n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kj2 s THR 112 N -0.85 2.22 -0.12 2.61 2.01 -0.02 -4.62 115.64 116.88 1kj2 s THR 112 Ca 0.00 -1.00 -0.23 0.00 0.31 0.00 0.00 61.69 60.77 1kj2 s THR 112 Cb 0.00 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 1kj2 s THR 112 CO 0.00 0.44 0.72 -0.60 -0.69 0.00 0.00 174.62 174.49 1kj2 s ARG 113 N 1.28 4.36 -0.31 4.92 3.52 -0.57 -1.15 118.95 131.00 1kj2 s ARG 113 Ca 0.03 0.86 -0.02 0.00 -0.13 0.00 0.00 55.73 56.48 1kj2 s ARG 113 Cb -0.14 -3.50 0.05 0.00 -1.56 0.00 0.00 34.95 29.80 1kj2 s ARG 113 CO -0.11 -0.09 0.01 -0.51 -0.81 0.00 0.00 175.30 173.79 1kj2 s LEU 114 N 1.35 3.98 -0.19 -0.88 1.43 -0.22 -0.60 118.68 123.54 1kj2 s LEU 114 Ca 0.36 -1.33 -0.06 0.00 -1.03 0.00 0.00 54.13 52.07 1kj2 s LEU 114 Cb -0.17 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1kj2 s LEU 114 CO 0.15 -0.28 0.02 0.42 0.23 0.00 0.00 176.35 176.90 1kj2 s THR 115 N 1.24 4.27 0.45 5.49 -4.23 -0.85 -2.44 115.64 119.56 1kj2 s THR 115 Ca -0.04 -0.21 -0.25 0.00 -1.18 0.00 0.00 61.69 60.01 1kj2 s THR 115 Cb -0.20 -2.92 -0.08 0.00 1.34 0.00 0.00 72.50 70.64 1kj2 s THR 115 CO -0.01 0.44 1.35 0.54 -0.54 0.00 0.00 174.62 176.40 1kj2 s VAL 116 N 0.70 2.35 0.00 2.29 0.11 -1.26 -1.84 120.40 122.74 1kj2 s VAL 116 Ca 0.01 0.30 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 1kj2 s VAL 116 Cb -0.14 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.54 1kj2 s VAL 116 CO 0.02 0.03 0.00 0.18 -3.33 0.00 0.00 175.10 172.00