#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jc3 n ASN 2 N 0.00 -1.47 -4.83 6.12 0.23 -1.26 -4.92 115.26 109.13 2jc3 n ASN 2 Ca 0.00 0.02 -0.26 0.00 -0.53 0.00 0.00 54.58 53.81 2jc3 n ASN 2 Cb 0.00 -1.29 -0.04 0.00 -2.08 0.00 0.00 39.78 36.37 2jc3 n ASN 2 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2jc3 s THR 3 N -0.42 1.88 0.55 5.53 -4.23 -1.26 -4.99 115.64 112.70 2jc3 s THR 3 Ca 0.00 -1.62 0.25 0.00 -1.18 0.00 0.00 61.69 59.15 2jc3 s THR 3 Cb 0.00 -2.50 0.38 0.00 1.34 0.00 0.00 72.50 71.72 2jc3 s THR 3 CO 0.00 0.00 2.02 0.25 -0.54 0.00 0.00 174.62 176.35 2jc3 h LEU 4 N 1.08 0.00 -1.51 4.79 5.85 -1.99 -0.87 115.31 122.67 2jc3 h LEU 4 Ca -0.40 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.41 2jc3 h LEU 4 Cb 1.28 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 2jc3 h LEU 4 CO 0.64 0.00 0.46 -0.08 -0.34 0.00 0.00 178.44 179.11 2jc3 h GLU 5 N 0.00 0.54 0.00 1.25 4.81 -1.95 0.89 114.58 120.12 2jc3 h GLU 5 Ca 0.19 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2jc3 h GLU 5 Cb 0.83 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.09 2jc3 h GLU 5 CO -0.00 0.36 0.00 1.04 -0.73 0.00 0.00 179.01 179.67 2jc3 n GLN 6 N -4.48 0.47 0.00 1.92 3.00 -0.33 -2.57 117.38 115.39 2jc3 n GLN 6 Ca 0.11 0.04 0.12 0.00 -0.01 0.00 0.00 57.00 57.27 2jc3 n GLN 6 Cb 0.35 -1.50 0.14 0.00 0.00 0.00 0.00 30.24 29.23 2jc3 n GLN 6 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2jc3 n THR 7 N -1.12 0.00 -2.65 5.09 -2.24 0.31 -4.89 114.28 108.78 2jc3 n THR 7 Ca 0.12 -0.34 -0.39 0.00 -2.27 0.00 0.00 64.05 61.18 2jc3 n THR 7 Cb 0.10 1.18 -0.05 0.00 -2.10 0.00 0.00 70.33 69.45 2jc3 n THR 7 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2jc3 s ILE 8 N -2.23 3.88 0.02 2.28 1.01 -1.06 -4.42 121.20 120.68 2jc3 s ILE 8 Ca 0.25 1.72 0.00 0.00 0.00 0.00 0.00 60.65 62.62 2jc3 s ILE 8 Cb 0.19 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.64 2jc3 s ILE 8 CO 0.43 0.28 0.00 0.61 0.00 0.00 0.00 174.94 176.26 2jc3 n GLY 9 N 0.95 -1.81 3.80 6.18 0.00 -1.26 -4.95 105.19 108.10 2jc3 n GLY 9 Ca 0.01 -1.31 -0.26 0.00 0.00 0.00 0.00 46.02 44.45 2jc3 n GLY 9 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jc3 n ASN 10 N -0.63 -3.51 -4.83 1.61 3.02 -1.26 -4.94 115.26 104.72 2jc3 n ASN 10 Ca 0.00 -0.77 -0.33 0.00 -0.03 0.00 0.00 54.58 53.45 2jc3 n ASN 10 Cb 0.04 -4.08 -0.05 0.00 -0.61 0.00 0.00 39.78 35.09 2jc3 n ASN 10 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2jc3 s THR 11 N -3.44 4.36 0.72 3.41 -4.23 -1.26 -5.02 115.64 110.18 2jc3 s THR 11 Ca 0.39 1.31 -0.14 0.00 -1.18 0.00 0.00 61.69 62.07 2jc3 s THR 11 Cb -0.19 -3.62 0.03 0.00 1.34 0.00 0.00 72.50 70.05 2jc3 s THR 11 CO 0.81 -0.48 1.15 -2.16 -0.54 0.00 0.00 174.62 173.41 2jc3 s PRO 12 N -3.61 2.35 -0.17 3.99 0.04 -1.26 -4.75 135.00 131.58 2jc3 s PRO 12 Ca 0.61 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2jc3 s PRO 12 Cb -0.10 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.59 2jc3 s PRO 12 CO 0.23 -1.63 -0.10 -1.17 0.04 0.00 0.00 177.00 174.37 2jc3 s LEU 13 N -5.19 1.84 0.17 -3.56 2.96 -1.26 -0.97 118.68 112.67 2jc3 s LEU 13 Ca 0.70 -0.67 0.09 0.00 -0.22 0.00 0.00 54.13 54.02 2jc3 s LEU 13 Cb -0.24 -1.09 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 2jc3 s LEU 13 CO 0.45 -0.13 -0.19 0.68 -1.32 0.00 0.00 176.35 175.85 2jc3 s VAL 14 N 1.51 1.86 -0.07 1.68 -7.23 -0.35 -4.91 120.40 112.89 2jc3 s VAL 14 Ca 0.01 -1.93 -0.14 0.00 -1.81 0.00 0.00 61.98 58.11 2jc3 s VAL 14 Cb -0.15 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 2jc3 s VAL 14 CO -0.09 -0.31 0.36 -0.75 -0.31 0.00 0.00 175.10 174.00 2jc3 s LYS 15 N -2.81 4.02 0.20 4.82 2.20 -1.26 0.00 119.74 126.91 2jc3 s LYS 15 Ca 0.16 0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 55.75 2jc3 s LYS 15 Cb -0.06 -3.30 -0.09 0.00 -1.51 0.00 0.00 37.83 32.87 2jc3 s LYS 15 CO 0.07 0.50 1.28 -0.51 -0.36 0.00 0.00 175.35 176.33 2jc3 s LEU 16 N -0.41 4.42 0.06 5.43 1.43 -0.44 -4.94 118.68 124.24 2jc3 s LEU 16 Ca 0.21 2.38 0.22 0.00 -1.03 0.00 0.00 54.13 55.91 2jc3 s LEU 16 Cb -0.15 -3.61 -0.20 0.00 0.03 0.00 0.00 46.19 42.26 2jc3 s LEU 16 CO 0.09 -0.49 0.70 0.00 0.23 0.00 0.00 176.35 176.88 2jc3 n GLN 17 N 2.52 0.64 0.00 1.70 6.02 -1.26 -4.81 117.38 122.19 2jc3 n GLN 17 Ca 0.05 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2jc3 n GLN 17 Cb 0.43 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 30.04 2jc3 n GLN 17 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2jc3 n ARG 18 N -2.46 0.81 -2.09 -1.09 1.74 -1.26 -5.07 116.66 107.23 2jc3 n ARG 18 Ca -0.04 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.75 2jc3 n ARG 18 Cb 0.59 -0.77 0.01 0.00 -1.02 0.00 0.00 32.46 31.27 2jc3 n ARG 18 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2jc3 s ILE 19 N -1.54 4.74 0.00 0.55 -4.36 -1.26 -4.96 121.20 114.36 2jc3 s ILE 19 Ca 0.00 0.67 0.00 0.00 -0.26 0.00 0.00 60.65 61.06 2jc3 s ILE 19 Cb 0.00 -3.86 0.00 0.00 1.25 0.00 0.00 42.46 39.85 2jc3 s ILE 19 CO 0.00 -1.05 0.00 0.61 0.24 0.00 0.00 174.94 174.74 2jc3 n GLY 20 N -2.62 2.46 3.77 6.27 0.00 -1.26 -4.98 105.19 108.83 2jc3 n GLY 20 Ca 0.04 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 2jc3 n GLY 20 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jc3 s PRO 21 N -3.68 3.22 -1.11 1.61 0.04 -1.26 -4.96 135.00 128.86 2jc3 s PRO 21 Ca 0.00 1.62 -0.03 0.00 0.04 0.00 0.00 61.00 62.63 2jc3 s PRO 21 Cb 0.00 -1.99 0.28 0.00 0.04 0.00 0.00 34.50 32.83 2jc3 s PRO 21 CO 0.00 -0.96 1.82 -3.47 0.04 0.00 0.00 177.00 174.42 2jc3 n ASP 22 N -1.49 7.03 -0.84 6.66 2.03 -1.26 -4.58 116.55 124.10 2jc3 n ASP 22 Ca 0.12 -3.49 0.05 0.00 0.52 0.00 0.00 54.79 51.99 2jc3 n ASP 22 Cb 0.51 -1.25 0.16 0.00 -0.72 0.00 0.00 41.12 39.82 2jc3 n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2jc3 n ASN 23 N 0.89 1.60 0.00 1.67 2.04 -1.26 -4.95 115.26 115.25 2jc3 n ASN 23 Ca 0.43 -3.47 0.00 0.00 -0.44 0.00 0.00 54.58 51.10 2jc3 n ASN 23 Cb 0.29 -0.47 0.00 0.00 -2.53 0.00 0.00 39.78 37.06 2jc3 n ASN 23 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2jc3 n GLY 24 N -0.75 2.13 3.79 4.83 0.00 -1.26 -1.98 105.19 111.95 2jc3 n GLY 24 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2jc3 n GLY 24 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jc3 s SER 25 N -3.53 5.84 -0.05 1.61 0.01 -1.26 -3.83 113.70 112.49 2jc3 s SER 25 Ca 0.00 1.97 0.04 0.00 1.31 0.00 0.00 55.95 59.26 2jc3 s SER 25 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2jc3 s SER 25 CO 0.00 -1.13 -0.16 -1.61 0.41 0.00 0.00 173.24 170.75 2jc3 s GLU 26 N -3.62 1.85 -0.25 12.44 2.02 0.92 -4.90 118.70 127.16 2jc3 s GLU 26 Ca 0.68 -0.56 -0.02 0.00 0.02 0.00 0.00 54.97 55.08 2jc3 s GLU 26 Cb -0.19 -1.55 0.02 0.00 0.10 0.00 0.00 34.13 32.51 2jc3 s GLU 26 CO 0.30 0.17 -0.05 0.42 0.02 0.00 0.00 175.26 176.11 2jc3 s ILE 27 N 0.26 2.99 -0.03 -1.63 1.01 -1.26 -0.50 121.20 122.05 2jc3 s ILE 27 Ca -0.09 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.62 2jc3 s ILE 27 Cb -0.13 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 2jc3 s ILE 27 CO 0.03 0.21 -0.05 0.26 0.00 0.00 0.00 174.94 175.39 2jc3 s TRP 28 N 1.35 2.97 -0.08 3.97 0.52 0.12 -1.32 118.94 126.47 2jc3 s TRP 28 Ca 0.01 0.03 0.04 0.00 0.02 0.00 0.00 56.10 56.20 2jc3 s TRP 28 Cb -0.16 -1.67 -0.01 0.00 -1.15 0.00 0.00 33.47 30.47 2jc3 s TRP 28 CO -0.04 0.38 -0.20 0.14 0.02 0.00 0.00 176.95 177.25 2jc3 s VAL 29 N -0.93 2.47 -0.39 4.03 -7.23 0.10 -0.22 120.40 118.22 2jc3 s VAL 29 Ca 0.15 -0.91 -0.18 0.00 -1.81 0.00 0.00 61.98 59.24 2jc3 s VAL 29 Cb -0.11 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 34.89 2jc3 s VAL 29 CO 0.05 0.56 0.49 -0.75 -0.31 0.00 0.00 175.10 175.15 2jc3 s LYS 30 N -0.12 3.40 -1.22 4.82 2.47 -0.08 -1.21 119.74 127.80 2jc3 s LYS 30 Ca -0.04 -0.41 -0.17 0.00 -1.56 0.00 0.00 55.97 53.80 2jc3 s LYS 30 Cb -0.14 -3.88 0.11 0.00 -1.46 0.00 0.00 37.83 32.46 2jc3 s LYS 30 CO 0.04 -0.75 1.56 -0.51 0.16 0.00 0.00 175.35 175.85 2jc3 s LEU 31 N 2.35 4.36 0.10 5.43 1.43 -0.14 -1.08 118.68 131.12 2jc3 s LEU 31 Ca 0.17 -2.56 0.19 0.00 -1.03 0.00 0.00 54.13 50.90 2jc3 s LEU 31 Cb -0.16 -2.50 0.80 0.00 0.03 0.00 0.00 46.19 44.36 2jc3 s LEU 31 CO 0.14 -1.03 1.60 -0.62 0.23 0.00 0.00 176.35 176.68 2jc3 n GLU 32 N 7.25 0.08 0.09 1.70 -0.58 -0.45 -1.99 120.64 126.74 2jc3 n GLU 32 Ca 0.41 0.29 0.09 0.00 -0.42 0.00 0.00 57.16 57.54 2jc3 n GLU 32 Cb 0.45 -1.64 0.41 0.00 -0.57 0.00 0.00 31.44 30.09 2jc3 n GLU 32 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jc3 n GLY 33 N 0.17 -1.09 0.06 0.62 0.00 -1.25 -1.92 105.19 101.77 2jc3 n GLY 33 Ca 0.03 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.22 2jc3 n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jc3 n ASN 34 N -1.97 0.36 -4.71 1.61 4.13 -0.84 -4.10 115.26 109.74 2jc3 n ASN 34 Ca 0.02 0.55 -0.35 0.00 1.68 0.00 0.00 54.58 56.49 2jc3 n ASN 34 Cb 0.17 -0.64 0.11 0.00 -1.54 0.00 0.00 39.78 37.88 2jc3 n ASN 34 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2jc3 s ASN 35 N -3.67 3.93 0.41 6.41 -0.87 -0.81 -4.86 114.94 115.48 2jc3 s ASN 35 Ca 0.10 2.47 0.20 0.00 -1.57 0.00 0.00 52.86 54.06 2jc3 s ASN 35 Cb 0.13 -2.60 1.15 0.00 -0.02 0.00 0.00 41.25 39.91 2jc3 s ASN 35 CO 0.46 -2.45 1.78 1.55 -2.57 0.00 0.00 177.10 175.87 2jc3 h PRO 36 N -0.39 0.35 -0.53 -0.60 0.13 -1.87 0.39 132.00 129.47 2jc3 h PRO 36 Ca -0.48 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 2jc3 h PRO 36 Cb 1.31 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 2jc3 h PRO 36 CO 0.49 0.23 0.05 0.00 -0.23 0.00 0.00 178.00 178.53 2jc3 n ALA 37 N -2.50 3.83 -1.17 -0.56 0.00 -1.26 -4.96 120.51 113.89 2jc3 n ALA 37 Ca 0.25 -2.12 -0.06 0.00 0.00 0.00 0.00 53.44 51.51 2jc3 n ALA 37 Cb 0.90 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.28 2jc3 n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jc3 n GLY 38 N 0.19 0.80 3.40 0.00 0.00 0.13 -4.86 105.19 104.85 2jc3 n GLY 38 Ca 0.29 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 2jc3 n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jc3 s SER 39 N -2.64 -0.29 0.59 1.61 1.04 -1.22 -3.30 113.70 109.49 2jc3 s SER 39 Ca 0.00 -0.32 0.29 0.00 0.48 0.00 0.00 55.95 56.40 2jc3 s SER 39 Cb 0.00 0.53 1.71 0.00 0.10 0.00 0.00 66.02 68.36 2jc3 s SER 39 CO 0.00 -0.93 2.13 1.62 0.98 0.00 0.00 173.24 177.03 2jc3 h VAL 40 N 2.25 0.45 0.00 5.02 3.04 -0.96 -2.50 116.25 123.56 2jc3 h VAL 40 Ca -0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 2jc3 h VAL 40 Cb 1.27 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 2jc3 h VAL 40 CO 0.42 0.00 0.00 0.11 -1.01 0.00 0.00 177.57 177.09 2jc3 h LYS 41 N 0.00 0.00 0.00 4.17 1.79 -1.88 -2.13 116.57 118.52 2jc3 h LYS 41 Ca 0.07 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2jc3 h LYS 41 Cb 0.41 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 2jc3 h LYS 41 CO -0.00 0.00 -0.06 -0.44 -1.08 0.00 0.00 179.45 177.87 2jc3 h ASP 42 N 0.00 0.00 0.21 0.86 5.19 -1.78 -0.46 116.42 120.45 2jc3 h ASP 42 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2jc3 h ASP 42 Cb 0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 2jc3 h ASP 42 CO 0.00 0.06 -0.10 0.03 -3.12 0.00 0.00 179.24 176.11 2jc3 h ARG 43 N 0.00 -0.27 -0.23 3.56 3.08 -1.63 -1.01 114.38 117.87 2jc3 h ARG 43 Ca -0.00 0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 2jc3 h ARG 43 Cb 0.12 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2jc3 h ARG 43 CO 0.01 0.05 -0.35 0.00 -1.07 0.00 0.00 179.97 178.60 2jc3 h ALA 44 N 0.08 0.96 -0.22 0.04 0.00 -1.66 -1.44 119.26 117.03 2jc3 h ALA 44 Ca -0.03 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2jc3 h ALA 44 Cb 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2jc3 h ALA 44 CO 0.05 0.61 0.07 0.00 0.00 0.00 0.00 179.25 179.98 2jc3 h ALA 45 N 1.20 0.28 -0.25 0.00 0.00 -1.08 0.25 119.26 119.66 2jc3 h ALA 45 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jc3 h ALA 45 Cb 0.81 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2jc3 h ALA 45 CO 0.07 -0.09 0.16 1.25 0.00 0.00 0.00 179.25 180.63 2jc3 h LEU 46 N 0.18 0.30 0.14 0.00 5.85 -1.04 -2.68 115.31 118.06 2jc3 h LEU 46 Ca 0.07 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2jc3 h LEU 46 Cb 0.23 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2jc3 h LEU 46 CO -0.00 0.24 -0.07 -1.28 -0.34 0.00 0.00 178.44 176.99 2jc3 h SER 47 N 0.33 -0.16 -0.76 1.25 0.87 -1.04 0.10 113.55 114.15 2jc3 h SER 47 Ca 0.09 -0.07 0.11 0.00 -1.23 0.00 0.00 61.79 60.70 2jc3 h SER 47 Cb -0.01 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 61.94 2jc3 h SER 47 CO -0.02 -0.04 0.50 0.24 -0.53 0.00 0.00 176.83 176.98 2jc3 h MET 48 N -0.27 0.59 0.16 2.24 2.86 -0.49 -0.47 114.93 119.53 2jc3 h MET 48 Ca -0.02 -0.04 -0.22 0.00 -2.06 0.00 0.00 59.70 57.37 2jc3 h MET 48 Cb 0.22 -0.13 0.02 0.00 0.06 0.00 0.00 31.60 31.77 2jc3 h MET 48 CO 0.03 0.39 -0.98 0.82 1.06 0.00 0.00 176.91 178.23 2jc3 h ILE 49 N 0.61 1.43 -0.87 -1.22 2.04 -1.17 -2.79 117.51 115.54 2jc3 h ILE 49 Ca 0.36 -2.55 -0.02 0.00 1.00 0.00 0.00 64.86 63.65 2jc3 h ILE 49 Cb 0.57 3.13 -0.04 0.00 -0.74 0.00 0.00 36.82 39.74 2jc3 h ILE 49 CO -0.13 0.73 0.47 0.58 0.00 0.00 0.00 178.15 179.80 2jc3 h VAL 50 N -0.29 1.25 -0.33 1.67 2.07 -0.55 -1.03 116.25 119.05 2jc3 h VAL 50 Ca -0.18 -0.64 -0.16 0.00 0.82 0.00 0.00 66.70 66.55 2jc3 h VAL 50 Cb 1.74 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2jc3 h VAL 50 CO 0.16 0.29 -0.41 -0.33 0.02 0.00 0.00 177.57 177.30 2jc3 h GLU 51 N 1.22 0.86 0.00 1.57 4.39 -1.20 -1.01 114.58 120.41 2jc3 h GLU 51 Ca 0.31 -0.49 -0.03 0.00 0.34 0.00 0.00 59.36 59.49 2jc3 h GLU 51 Cb 0.03 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2jc3 h GLU 51 CO -0.05 1.13 -0.16 0.00 -1.16 0.00 0.00 179.01 178.77 2jc3 h ALA 52 N 0.72 1.72 -0.09 3.43 0.00 -1.23 -1.42 119.26 122.40 2jc3 h ALA 52 Ca 0.04 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2jc3 h ALA 52 Cb 1.01 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2jc3 h ALA 52 CO 0.10 0.20 -0.13 0.93 0.00 0.00 0.00 179.25 180.34 2jc3 h GLU 53 N 0.00 0.25 -0.98 0.00 5.08 -0.74 -1.14 114.58 117.04 2jc3 h GLU 53 Ca -0.00 -0.14 0.18 0.00 -1.00 0.00 0.00 59.36 58.39 2jc3 h GLU 53 Cb 0.28 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.45 2jc3 h GLU 53 CO 0.02 0.71 0.61 0.87 -1.00 0.00 0.00 179.01 180.22 2jc3 h LYS 54 N -0.20 0.71 -0.08 2.33 1.57 -0.42 0.24 116.57 120.73 2jc3 h LYS 54 Ca 0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2jc3 h LYS 54 Cb 0.68 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2jc3 h LYS 54 CO 0.03 0.47 0.00 0.54 -0.57 0.00 0.00 179.45 179.92 2jc3 n ARG 55 N -4.66 1.25 -1.04 3.15 1.74 -0.61 -4.88 116.66 111.61 2jc3 n ARG 55 Ca 0.21 -0.38 -0.02 0.00 -0.77 0.00 0.00 57.85 56.90 2jc3 n ARG 55 Cb 0.55 -1.22 -0.01 0.00 -1.02 0.00 0.00 32.46 30.76 2jc3 n ARG 55 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jc3 n GLY 56 N 0.81 0.35 0.23 -0.13 0.00 0.85 -4.88 105.19 102.42 2jc3 n GLY 56 Ca 0.10 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.18 2jc3 n GLY 56 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jc3 h GLU 57 N 0.37 0.00 -3.42 1.61 5.08 -1.41 -3.46 114.58 113.35 2jc3 h GLU 57 Ca -0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 2jc3 h GLU 57 Cb 0.61 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.67 2jc3 h GLU 57 CO 0.05 0.13 -0.39 0.96 -1.00 0.00 0.00 179.01 178.76 2jc3 s ILE 58 N -3.44 0.09 0.06 3.13 -4.36 -1.20 -4.99 121.20 110.48 2jc3 s ILE 58 Ca 0.03 -0.74 0.03 0.00 -0.26 0.00 0.00 60.65 59.71 2jc3 s ILE 58 Cb 0.08 -0.70 -0.03 0.00 1.25 0.00 0.00 42.46 43.06 2jc3 s ILE 58 CO 0.63 -0.41 -0.09 -0.54 0.24 0.00 0.00 174.94 174.78 2jc3 s LYS 59 N -1.94 0.62 0.20 0.37 -0.14 -1.26 -4.43 119.74 113.16 2jc3 s LYS 59 Ca -0.10 -0.87 -0.32 0.00 -1.36 0.00 0.00 55.97 53.33 2jc3 s LYS 59 Cb -0.04 -0.38 -0.15 0.00 -1.68 0.00 0.00 37.83 35.57 2jc3 s LYS 59 CO -0.00 0.07 1.12 -2.30 -0.76 0.00 0.00 175.35 173.48 2jc3 n PRO 60 N 1.24 1.20 0.00 -1.68 -0.02 -1.26 -1.44 135.00 133.03 2jc3 n PRO 60 Ca -0.21 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2jc3 n PRO 60 Cb 0.55 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 2jc3 n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jc3 n GLY 61 N 1.86 2.91 3.78 -1.23 0.00 0.49 -4.99 105.19 108.00 2jc3 n GLY 61 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2jc3 n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jc3 s ASP 62 N -1.25 3.99 -0.15 1.61 -0.00 -0.52 -4.54 116.67 115.81 2jc3 s ASP 62 Ca 0.00 1.26 -0.14 0.00 -0.00 0.00 0.00 52.55 53.67 2jc3 s ASP 62 Cb 0.00 -1.95 -0.05 0.00 -0.00 0.00 0.00 42.92 40.93 2jc3 s ASP 62 CO 0.00 -2.28 0.29 -0.69 -0.00 0.00 0.00 175.17 172.50 2jc3 s VAL 63 N -3.13 5.30 -0.03 -1.27 1.01 -1.26 -1.45 120.40 119.57 2jc3 s VAL 63 Ca 0.62 0.55 0.02 0.00 0.00 0.00 0.00 61.98 63.17 2jc3 s VAL 63 Cb -0.15 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2jc3 s VAL 63 CO 0.55 0.42 -0.05 -0.76 0.00 0.00 0.00 175.10 175.25 2jc3 s LEU 64 N 0.26 3.24 0.04 3.92 1.02 0.05 -1.21 118.68 126.01 2jc3 s LEU 64 Ca 0.17 -0.07 0.05 0.00 0.02 0.00 0.00 54.13 54.30 2jc3 s LEU 64 Cb -0.13 -1.80 -0.02 0.00 0.02 0.00 0.00 46.19 44.26 2jc3 s LEU 64 CO 0.05 0.32 -0.14 -0.63 0.02 0.00 0.00 176.35 175.96 2jc3 s ILE 65 N -0.93 1.12 -0.29 -0.59 1.01 0.15 -0.54 121.20 121.13 2jc3 s ILE 65 Ca 0.15 -0.98 -0.21 0.00 0.00 0.00 0.00 60.65 59.61 2jc3 s ILE 65 Cb -0.11 -1.01 0.14 0.00 0.01 0.00 0.00 42.46 41.48 2jc3 s ILE 65 CO 0.05 0.02 1.03 -0.70 0.00 0.00 0.00 174.94 175.35 2jc3 s GLU 66 N -1.10 0.42 -0.36 2.79 2.56 -0.93 -1.96 118.70 120.12 2jc3 s GLU 66 Ca 0.02 0.59 -0.19 0.00 0.00 0.00 0.00 54.97 55.39 2jc3 s GLU 66 Cb -0.08 0.16 -0.00 0.00 2.00 0.00 0.00 34.13 36.21 2jc3 s GLU 66 CO 0.01 -0.07 0.55 0.00 -0.56 0.00 0.00 175.26 175.20 2jc3 s ALA 67 N 0.69 3.47 0.00 6.30 0.00 -1.26 -1.66 121.76 129.30 2jc3 s ALA 67 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.96 2jc3 s ALA 67 Cb -0.04 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2jc3 s ALA 67 CO -0.11 -1.28 0.00 -2.37 0.00 0.00 0.00 175.76 172.00 2jc3 n THR 68 N 5.49 0.00 -1.90 0.00 5.66 -0.42 -4.89 114.28 118.22 2jc3 n THR 68 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 2jc3 n THR 68 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 2jc3 n THR 68 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2jc3 n SER 69 N 0.00 0.00 0.00 1.09 3.41 -1.26 -4.39 113.62 112.47 2jc3 n SER 69 Ca 0.00 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 2jc3 n SER 69 Cb 0.00 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 2jc3 n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jc3 n GLY 70 N 0.00 3.75 0.31 5.00 0.00 -1.26 -4.85 105.19 108.15 2jc3 n GLY 70 Ca 0.00 -1.68 0.06 0.00 0.00 0.00 0.00 46.02 44.41 2jc3 n GLY 70 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2jc3 h ASN 71 N 0.00 0.37 -0.49 1.61 2.35 -1.99 -1.19 115.58 116.24 2jc3 h ASN 71 Ca 0.00 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2jc3 h ASN 71 Cb 0.00 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 2jc3 h ASN 71 CO 0.00 0.26 0.27 0.74 -1.65 0.00 0.00 177.43 177.05 2jc3 h THR 72 N 0.44 1.17 -0.19 2.81 2.02 -1.93 0.38 112.91 117.61 2jc3 h THR 72 Ca 0.15 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 2jc3 h THR 72 Cb 0.07 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 2jc3 h THR 72 CO -0.03 0.19 0.10 1.23 0.37 0.00 0.00 175.52 177.37 2jc3 h GLY 73 N 0.66 0.29 0.92 2.16 0.00 -1.60 0.81 103.07 106.30 2jc3 h GLY 73 Ca 0.17 -0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.37 2jc3 h GLY 73 CO -0.03 0.13 0.00 -2.22 0.00 0.00 0.00 176.54 174.43 2jc3 h ILE 74 N 0.19 0.96 -0.50 2.60 2.04 -0.90 -0.15 117.51 121.76 2jc3 h ILE 74 Ca 0.07 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 2jc3 h ILE 74 Cb 0.10 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 2jc3 h ILE 74 CO -0.01 0.00 0.29 0.00 0.00 0.00 0.00 178.15 178.43 2jc3 h ALA 75 N 1.05 0.63 -0.52 1.87 0.00 -0.06 -0.66 119.26 121.58 2jc3 h ALA 75 Ca 0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2jc3 h ALA 75 Cb 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2jc3 h ALA 75 CO -0.04 0.14 0.11 -0.07 0.00 0.00 0.00 179.25 179.38 2jc3 h LEU 76 N 0.66 0.80 -0.44 0.00 3.38 -0.68 -0.02 115.31 119.00 2jc3 h LEU 76 Ca 0.18 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.95 2jc3 h LEU 76 Cb 0.02 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 2jc3 h LEU 76 CO -0.03 0.83 0.18 0.00 0.09 0.00 0.00 178.44 179.51 2jc3 h ALA 77 N 0.99 0.54 -0.26 1.53 0.00 -0.74 0.27 119.26 121.59 2jc3 h ALA 77 Ca 0.16 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2jc3 h ALA 77 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2jc3 h ALA 77 CO 0.00 -0.20 0.12 1.98 0.00 0.00 0.00 179.25 181.15 2jc3 h MET 78 N 0.36 0.37 -0.47 0.00 1.85 -0.67 -0.56 114.93 115.82 2jc3 h MET 78 Ca 0.20 -0.06 -0.06 0.00 -0.61 0.00 0.00 59.70 59.17 2jc3 h MET 78 Cb 0.17 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.11 2jc3 h MET 78 CO -0.19 0.38 0.04 0.82 -0.40 0.00 0.00 176.91 177.56 2jc3 h ILE 79 N 0.28 1.23 -0.73 1.77 1.08 -0.59 0.20 117.51 120.75 2jc3 h ILE 79 Ca 0.09 -0.90 -0.04 0.00 -0.39 0.00 0.00 64.86 63.62 2jc3 h ILE 79 Cb 0.13 0.83 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 2jc3 h ILE 79 CO -0.01 0.32 0.31 0.00 -0.69 0.00 0.00 178.15 178.08 2jc3 h ALA 80 N 1.34 0.95 -0.27 1.87 0.00 -0.04 0.25 119.26 123.35 2jc3 h ALA 80 Ca 0.15 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2jc3 h ALA 80 Cb 0.38 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2jc3 h ALA 80 CO 0.01 0.55 -0.26 0.00 0.00 0.00 0.00 179.25 179.56 2jc3 h ALA 81 N 1.15 0.40 -0.51 0.00 0.00 -0.75 0.15 119.26 119.70 2jc3 h ALA 81 Ca 0.25 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2jc3 h ALA 81 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jc3 h ALA 81 CO -0.02 0.39 0.26 1.25 0.00 0.00 0.00 179.25 181.12 2jc3 h LEU 82 N 0.39 0.67 -1.38 0.00 5.85 -0.32 -3.27 115.31 117.25 2jc3 h LEU 82 Ca 0.05 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2jc3 h LEU 82 Cb 0.82 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.68 2jc3 h LEU 82 CO 0.06 0.60 -0.22 0.29 -0.34 0.00 0.00 178.44 178.83 2jc3 n LYS 83 N -4.61 1.71 -1.06 1.25 5.02 0.84 -5.00 118.16 116.31 2jc3 n LYS 83 Ca 0.02 -1.38 0.00 0.00 -2.02 0.00 0.00 58.31 54.94 2jc3 n LYS 83 Cb 0.11 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 2jc3 n LYS 83 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jc3 n GLY 84 N 1.37 1.07 3.58 0.72 0.00 0.18 -4.79 105.19 107.32 2jc3 n GLY 84 Ca 0.12 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 2jc3 n GLY 84 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jc3 s TYR 85 N -2.31 2.56 -0.30 1.61 2.02 0.28 -0.38 117.35 120.83 2jc3 s TYR 85 Ca 0.00 -0.26 -0.16 0.00 -0.37 0.00 0.00 57.07 56.29 2jc3 s TYR 85 Cb 0.00 -1.15 -0.03 0.00 -0.40 0.00 0.00 41.96 40.38 2jc3 s TYR 85 CO 0.00 0.63 0.40 1.03 -1.57 0.00 0.00 175.55 176.04 2jc3 s ARG 86 N -3.46 3.86 -0.22 -0.62 0.52 -0.53 -4.44 118.95 114.05 2jc3 s ARG 86 Ca 0.30 -0.08 -0.10 0.00 -0.52 0.00 0.00 55.73 55.32 2jc3 s ARG 86 Cb -0.06 -3.71 -0.05 0.00 0.52 0.00 0.00 34.95 31.64 2jc3 s ARG 86 CO 0.17 -0.39 0.15 1.41 0.02 0.00 0.00 175.30 176.66 2jc3 s MET 87 N 2.12 4.11 -0.17 3.54 1.75 -1.26 -0.77 119.30 128.62 2jc3 s MET 87 Ca 0.15 -0.26 -0.01 0.00 -1.25 0.00 0.00 55.69 54.33 2jc3 s MET 87 Cb -0.16 -3.48 -0.00 0.00 2.84 0.00 0.00 34.83 34.02 2jc3 s MET 87 CO 0.11 0.15 -0.13 0.15 -0.65 0.00 0.00 175.02 174.65 2jc3 s LYS 88 N 0.79 3.25 -0.13 4.11 1.02 0.30 -0.84 119.74 128.24 2jc3 s LYS 88 Ca 0.08 -0.72 0.02 0.00 0.02 0.00 0.00 55.97 55.37 2jc3 s LYS 88 Cb -0.13 -2.70 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 2jc3 s LYS 88 CO 0.02 -0.02 -0.21 -0.51 -0.92 0.00 0.00 175.35 173.71 2jc3 s LEU 89 N 0.94 2.20 -0.13 3.17 1.43 -0.28 -2.20 118.68 123.82 2jc3 s LEU 89 Ca -0.03 -0.56 -0.06 0.00 -1.03 0.00 0.00 54.13 52.45 2jc3 s LEU 89 Cb -0.15 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 2jc3 s LEU 89 CO -0.01 0.10 0.10 -0.76 0.23 0.00 0.00 176.35 176.01 2jc3 s LEU 90 N 0.70 4.14 0.05 1.79 1.02 -0.66 -1.20 118.68 124.52 2jc3 s LEU 90 Ca -0.09 0.34 -0.27 0.00 0.02 0.00 0.00 54.13 54.13 2jc3 s LEU 90 Cb -0.16 -2.01 0.09 0.00 0.02 0.00 0.00 46.19 44.13 2jc3 s LEU 90 CO 0.01 0.36 0.74 0.00 0.02 0.00 0.00 176.35 177.48 2jc3 s MET 91 N -0.71 1.04 0.60 1.70 0.23 -0.87 -1.30 119.30 119.98 2jc3 s MET 91 Ca 0.13 -0.27 -0.18 0.00 -1.03 0.00 0.00 55.69 54.33 2jc3 s MET 91 Cb -0.12 0.48 -0.03 0.00 -1.53 0.00 0.00 34.83 33.63 2jc3 s MET 91 CO 0.03 -0.43 1.18 -1.25 -2.03 0.00 0.00 175.02 172.51 2jc3 s PRO 92 N -3.00 2.99 0.00 3.16 0.04 -1.26 -1.40 135.00 135.53 2jc3 s PRO 92 Ca 0.01 1.72 0.05 0.00 0.04 0.00 0.00 61.00 62.81 2jc3 s PRO 92 Cb -0.01 -1.94 0.30 0.00 0.04 0.00 0.00 34.50 32.88 2jc3 s PRO 92 CO -0.08 -1.16 0.79 -0.40 0.04 0.00 0.00 177.00 176.19 2jc3 n ASP 93 N -1.68 0.00 -1.73 6.66 3.85 -0.05 -3.41 116.55 120.18 2jc3 n ASP 93 Ca 0.13 -0.90 0.08 0.00 -0.71 0.00 0.00 54.79 53.39 2jc3 n ASP 93 Cb 0.50 0.00 0.38 0.00 -1.35 0.00 0.00 41.12 40.66 2jc3 n ASP 93 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 2jc3 n ASN 94 N -0.65 5.35 -4.72 -1.12 0.23 -1.26 -4.97 115.26 108.13 2jc3 n ASN 94 Ca 0.04 -2.82 -0.41 0.00 -0.53 0.00 0.00 54.58 50.86 2jc3 n ASN 94 Cb 0.02 -0.65 -0.04 0.00 -2.08 0.00 0.00 39.78 37.03 2jc3 n ASN 94 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 2jc3 s MET 95 N -2.54 4.64 1.10 -3.83 1.75 -1.22 -5.01 119.30 114.19 2jc3 s MET 95 Ca 0.53 1.44 -0.20 0.00 -1.25 0.00 0.00 55.69 56.20 2jc3 s MET 95 Cb 0.39 -3.41 0.05 0.00 2.84 0.00 0.00 34.83 34.70 2jc3 s MET 95 CO 0.18 0.11 -0.29 -1.13 -0.65 0.00 0.00 175.02 173.23 2jc3 n SER 96 N 3.24 -2.50 -0.03 1.11 3.41 -1.26 -4.77 113.62 112.82 2jc3 n SER 96 Ca 0.04 -0.12 -0.14 0.00 -0.26 0.00 0.00 58.87 58.39 2jc3 n SER 96 Cb 0.50 -0.86 -0.11 0.00 -0.26 0.00 0.00 64.21 63.48 2jc3 n SER 96 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2jc3 h GLN 97 N -1.90 0.08 -0.58 4.33 1.08 -1.99 -2.92 115.11 113.21 2jc3 h GLN 97 Ca -0.51 -0.07 0.02 0.00 -1.45 0.00 0.00 58.65 56.65 2jc3 h GLN 97 Cb 1.36 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.77 2jc3 h GLN 97 CO 0.35 0.74 0.38 0.93 -0.95 0.00 0.00 178.83 180.28 2jc3 h GLU 98 N -0.55 0.70 -0.39 1.46 5.08 -1.99 0.99 114.58 119.88 2jc3 h GLU 98 Ca -0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2jc3 h GLU 98 Cb 0.75 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2jc3 h GLU 98 CO 0.02 0.46 0.19 -0.09 -1.00 0.00 0.00 179.01 178.59 2jc3 h ARG 99 N 0.72 0.56 0.00 2.33 2.43 -1.89 -2.03 114.38 116.50 2jc3 h ARG 99 Ca 0.22 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.23 2jc3 h ARG 99 Cb 0.02 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2jc3 h ARG 99 CO -0.06 0.49 -0.37 0.07 -1.51 0.00 0.00 179.97 178.60 2jc3 h ARG 100 N 0.50 0.00 -0.57 0.20 0.11 -1.20 -3.17 114.38 110.26 2jc3 h ARG 100 Ca 0.14 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.14 2jc3 h ARG 100 Cb 0.12 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.17 2jc3 h ARG 100 CO -0.02 0.37 0.06 0.00 0.10 0.00 0.00 179.97 180.48 2jc3 h ALA 101 N 1.63 1.04 -0.75 0.08 0.00 -0.38 0.95 119.26 121.83 2jc3 h ALA 101 Ca -0.00 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.70 2jc3 h ALA 101 Cb 1.23 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 2jc3 h ALA 101 CO 0.05 0.61 0.49 0.00 0.00 0.00 0.00 179.25 180.40 2jc3 h ALA 102 N 1.19 1.62 0.14 0.00 0.00 -1.35 -0.25 119.26 120.62 2jc3 h ALA 102 Ca 0.17 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.81 2jc3 h ALA 102 Cb 0.43 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2jc3 h ALA 102 CO 0.01 0.28 -1.15 0.52 0.00 0.00 0.00 179.25 178.91 2jc3 h MET 103 N 0.85 0.30 -0.50 0.00 2.86 -1.58 -3.34 114.93 113.51 2jc3 h MET 103 Ca 0.31 -0.51 0.04 0.00 -2.06 0.00 0.00 59.70 57.48 2jc3 h MET 103 Cb 0.16 0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 2jc3 h MET 103 CO -0.10 1.24 0.33 -0.09 1.06 0.00 0.00 176.91 179.36 2jc3 h ARG 104 N -0.29 0.53 -0.89 1.72 2.43 -0.56 -2.26 114.38 115.06 2jc3 h ARG 104 Ca -0.23 -0.03 0.23 0.00 -0.81 0.00 0.00 59.98 59.14 2jc3 h ARG 104 Cb 1.75 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 31.12 2jc3 h ARG 104 CO 0.12 0.35 0.61 0.00 -1.51 0.00 0.00 179.97 179.54 2jc3 h ALA 105 N 1.71 2.48 -0.01 2.80 0.00 -1.17 0.51 119.26 125.59 2jc3 h ALA 105 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2jc3 h ALA 105 Cb 0.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jc3 h ALA 105 CO -0.05 -0.76 -0.05 0.66 0.00 0.00 0.00 179.25 179.05 2jc3 n TYR 106 N -4.41 0.00 -0.32 0.00 4.02 -0.85 -4.90 117.16 110.69 2jc3 n TYR 106 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.08 2jc3 n TYR 106 Cb 0.81 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 40.04 2jc3 n TYR 106 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2jc3 n GLY 107 N 1.17 0.83 3.78 2.72 0.00 0.18 -4.61 105.19 109.27 2jc3 n GLY 107 Ca 0.18 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2jc3 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jc3 s ALA 108 N -2.00 3.09 -0.13 4.61 0.00 -1.24 -4.75 121.76 121.34 2jc3 s ALA 108 Ca 0.00 0.68 -0.18 0.00 0.00 0.00 0.00 51.96 52.46 2jc3 s ALA 108 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 2jc3 s ALA 108 CO 0.00 -0.18 0.48 -1.21 0.00 0.00 0.00 175.76 174.86 2jc3 s GLU 109 N -2.49 4.31 -0.20 0.00 2.02 -0.02 -4.53 118.70 117.79 2jc3 s GLU 109 Ca 0.57 0.44 -0.08 0.00 0.02 0.00 0.00 54.97 55.92 2jc3 s GLU 109 Cb -0.21 -3.46 -0.04 0.00 0.10 0.00 0.00 34.13 30.52 2jc3 s GLU 109 CO 0.27 0.11 0.08 -0.51 0.02 0.00 0.00 175.26 175.23 2jc3 s LEU 110 N 0.79 3.83 -0.15 1.80 1.43 -1.26 -1.12 118.68 124.00 2jc3 s LEU 110 Ca 0.25 0.06 -0.05 0.00 -1.03 0.00 0.00 54.13 53.36 2jc3 s LEU 110 Cb -0.15 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 2jc3 s LEU 110 CO 0.10 0.13 0.02 -0.63 0.23 0.00 0.00 176.35 176.20 2jc3 s ILE 111 N 0.62 4.39 -0.09 -0.59 1.09 -0.34 -4.95 121.20 121.32 2jc3 s ILE 111 Ca 0.04 -0.19 -0.01 0.00 -1.10 0.00 0.00 60.65 59.39 2jc3 s ILE 111 Cb -0.13 -2.93 -0.03 0.00 -1.06 0.00 0.00 42.46 38.31 2jc3 s ILE 111 CO 0.01 0.51 -0.02 -0.76 -0.10 0.00 0.00 174.94 174.58 2jc3 s LEU 112 N 0.07 3.46 0.47 2.97 1.43 -1.26 -2.05 118.68 123.78 2jc3 s LEU 112 Ca 0.03 0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.28 2jc3 s LEU 112 Cb -0.13 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.31 2jc3 s LEU 112 CO 0.02 0.35 0.37 0.68 0.23 0.00 0.00 176.35 178.00 2jc3 s VAL 113 N -0.74 2.17 0.55 -1.59 -7.23 -0.49 -4.88 120.40 108.19 2jc3 s VAL 113 Ca 0.11 -1.45 -0.17 0.00 -1.81 0.00 0.00 61.98 58.67 2jc3 s VAL 113 Cb -0.11 -2.62 -0.06 0.00 0.56 0.00 0.00 36.38 34.15 2jc3 s VAL 113 CO 0.02 0.00 1.03 0.42 -0.31 0.00 0.00 175.10 176.26 2jc3 s THR 114 N -2.62 4.00 0.32 5.32 -4.23 -1.26 -0.88 115.64 116.28 2jc3 s THR 114 Ca 0.42 1.02 0.08 0.00 -1.18 0.00 0.00 61.69 62.03 2jc3 s THR 114 Cb -0.02 -3.48 0.31 0.00 1.34 0.00 0.00 72.50 70.65 2jc3 s THR 114 CO 0.25 -0.49 1.77 0.11 -0.54 0.00 0.00 174.62 175.71 2jc3 h LYS 115 N 0.83 0.66 0.24 3.99 1.57 -1.93 -0.88 116.57 121.04 2jc3 h LYS 115 Ca -0.47 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.25 2jc3 h LYS 115 Cb 1.21 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2jc3 h LYS 115 CO 0.59 0.43 -0.12 1.49 -0.57 0.00 0.00 179.45 181.28 2jc3 h GLU 116 N 0.68 -0.31 -0.72 3.15 4.81 -2.02 -2.41 114.58 117.76 2jc3 h GLU 116 Ca 0.60 0.02 0.21 0.00 -0.13 0.00 0.00 59.36 60.06 2jc3 h GLU 116 Cb 1.04 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 2jc3 h GLU 116 CO -0.40 -0.04 0.52 1.96 -0.73 0.00 0.00 179.01 180.33 2jc3 h GLN 117 N -0.58 0.00 0.00 1.92 4.20 -1.60 -3.47 115.11 115.59 2jc3 h GLN 117 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2jc3 h GLN 117 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2jc3 h GLN 117 CO 0.05 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.62 2jc3 n GLY 118 N -1.68 -0.42 0.37 3.46 0.00 -0.45 0.06 105.19 106.53 2jc3 n GLY 118 Ca 0.14 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.67 2jc3 n GLY 118 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2jc3 h MET 119 N 0.00 0.66 -0.39 1.61 2.86 -1.90 -1.26 114.93 116.51 2jc3 h MET 119 Ca 0.00 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.46 2jc3 h MET 119 Cb 0.00 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 2jc3 h MET 119 CO 0.00 0.44 -0.33 1.49 1.06 0.00 0.00 176.91 179.57 2jc3 h GLU 120 N 0.68 0.89 -0.48 1.72 4.57 -1.96 -1.21 114.58 118.78 2jc3 h GLU 120 Ca 0.44 -0.43 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2jc3 h GLU 120 Cb 0.71 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 2jc3 h GLU 120 CO -0.20 1.08 0.31 0.78 -1.18 0.00 0.00 179.01 179.79 2jc3 h GLY 121 N 0.86 0.69 0.74 1.92 0.00 0.70 -0.91 103.07 107.07 2jc3 h GLY 121 Ca 0.08 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.17 2jc3 h GLY 121 CO 0.08 0.27 0.27 0.00 0.00 0.00 0.00 176.54 177.16 2jc3 h ALA 122 N 1.16 0.66 -0.58 3.60 0.00 -1.04 0.67 119.26 123.73 2jc3 h ALA 122 Ca 0.18 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.14 2jc3 h ALA 122 Cb -0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 2jc3 h ALA 122 CO -0.04 -0.07 0.33 0.00 0.00 0.00 0.00 179.25 179.47 2jc3 h ARG 123 N 0.52 0.62 0.18 0.00 2.47 -0.73 0.61 114.38 118.06 2jc3 h ARG 123 Ca 0.23 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.90 2jc3 h ARG 123 Cb 0.12 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 2jc3 h ARG 123 CO -0.15 0.41 -0.09 -0.44 0.56 0.00 0.00 179.97 180.26 2jc3 h ASP 124 N 0.64 -0.21 0.06 7.04 3.45 -0.19 -1.57 116.42 125.64 2jc3 h ASP 124 Ca 0.24 -0.18 -0.00 0.00 0.43 0.00 0.00 57.03 57.51 2jc3 h ASP 124 Cb 0.08 0.05 -0.00 0.00 -0.56 0.00 0.00 39.33 38.91 2jc3 h ASP 124 CO -0.13 0.07 -0.02 -0.07 -1.57 0.00 0.00 179.24 177.52 2jc3 h LEU 125 N -0.50 0.00 0.10 1.55 3.38 0.53 0.19 115.31 120.56 2jc3 h LEU 125 Ca -0.03 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.74 2jc3 h LEU 125 Cb 0.38 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.15 2jc3 h LEU 125 CO 0.04 0.02 -0.88 0.00 0.09 0.00 0.00 178.44 177.72 2jc3 h ALA 126 N 1.98 -0.03 -0.64 1.53 0.00 -0.71 -2.36 119.26 119.03 2jc3 h ALA 126 Ca -0.00 -0.68 0.01 0.00 0.00 0.00 0.00 54.91 54.24 2jc3 h ALA 126 Cb 0.06 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2jc3 h ALA 126 CO 0.00 0.45 0.42 1.25 0.00 0.00 0.00 179.25 181.37 2jc3 h LEU 127 N -0.12 0.73 0.25 0.00 5.85 -0.23 -0.57 115.31 121.22 2jc3 h LEU 127 Ca -0.14 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.57 2jc3 h LEU 127 Cb 1.63 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 2jc3 h LEU 127 CO 0.17 0.53 -0.24 0.00 -0.34 0.00 0.00 178.44 178.55 2jc3 h ALA 128 N 1.23 -0.51 -1.00 1.25 0.00 -0.72 0.34 119.26 119.86 2jc3 h ALA 128 Ca 0.23 -0.08 0.19 0.00 0.00 0.00 0.00 54.91 55.26 2jc3 h ALA 128 Cb -0.10 0.35 -0.10 0.00 0.00 0.00 0.00 17.79 17.94 2jc3 h ALA 128 CO -0.05 -0.82 0.61 0.52 0.00 0.00 0.00 179.25 179.52 2jc3 h MET 129 N -0.53 0.70 -0.61 0.00 2.86 -1.09 0.30 114.93 116.57 2jc3 h MET 129 Ca -0.01 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2jc3 h MET 129 Cb 0.48 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 2jc3 h MET 129 CO -0.05 0.46 0.31 1.03 1.06 0.00 0.00 176.91 179.72 2jc3 h SER 130 N 0.72 0.78 -0.06 1.22 0.87 0.02 -0.92 113.55 116.18 2jc3 h SER 130 Ca 0.57 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 2jc3 h SER 130 Cb 0.94 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.70 2jc3 h SER 130 CO -0.36 0.67 0.04 -0.33 -0.53 0.00 0.00 176.83 176.32 2jc3 h GLU 131 N 0.83 0.08 0.00 2.24 4.39 0.16 -0.04 114.58 122.23 2jc3 h GLU 131 Ca 0.21 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2jc3 h GLU 131 Cb 0.09 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2jc3 h GLU 131 CO -0.03 0.05 0.00 0.54 -1.16 0.00 0.00 179.01 178.41 2jc3 n ARG 132 N -5.05 0.20 -2.08 2.33 1.74 -0.03 -4.78 116.66 109.00 2jc3 n ARG 132 Ca -0.06 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.92 2jc3 n ARG 132 Cb 0.03 -1.26 -0.01 0.00 -1.02 0.00 0.00 32.46 30.20 2jc3 n ARG 132 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jc3 n GLY 133 N -0.45 0.10 0.01 -0.13 0.00 -0.03 -4.94 105.19 99.75 2jc3 n GLY 133 Ca 0.03 -0.48 0.13 0.00 0.00 0.00 0.00 46.02 45.69 2jc3 n GLY 133 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jc3 n GLU 134 N -2.04 0.08 0.00 1.61 1.02 -0.37 -5.00 120.64 115.94 2jc3 n GLU 134 Ca -0.12 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 2jc3 n GLU 134 Cb 0.56 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 2jc3 n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jc3 n GLY 135 N 1.47 2.18 3.67 0.62 0.00 -1.26 -4.76 105.19 107.11 2jc3 n GLY 135 Ca 0.07 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 2jc3 n GLY 135 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jc3 s LYS 136 N -2.00 4.31 0.13 1.61 2.36 -0.35 -4.52 119.74 121.28 2jc3 s LYS 136 Ca 0.00 1.38 -0.27 0.00 -2.55 0.00 0.00 55.97 54.53 2jc3 s LYS 136 Cb 0.00 -3.61 -0.07 0.00 -1.05 0.00 0.00 37.83 33.10 2jc3 s LYS 136 CO 0.00 -0.53 0.83 -1.17 1.55 0.00 0.00 175.35 176.03 2jc3 s LEU 137 N 2.84 4.54 -0.13 5.43 2.96 -1.26 0.32 118.68 133.38 2jc3 s LEU 137 Ca 0.46 1.65 -0.01 0.00 -0.22 0.00 0.00 54.13 56.01 2jc3 s LEU 137 Cb -0.16 -3.37 -0.24 0.00 0.50 0.00 0.00 46.19 42.91 2jc3 s LEU 137 CO 0.10 0.09 0.33 0.18 -1.32 0.00 0.00 176.35 175.73 2jc3 n LEU 138 N 2.18 2.27 -3.31 -0.68 4.77 -0.83 -4.91 117.00 116.50 2jc3 n LEU 138 Ca -0.03 0.19 -0.15 0.00 -0.03 0.00 0.00 56.01 56.00 2jc3 n LEU 138 Cb 0.49 -0.81 0.01 0.00 -2.33 0.00 0.00 43.42 40.78 2jc3 n LEU 138 CO 0.48 0.77 0.02 -0.67 -1.33 0.00 0.00 177.39 176.66 2jc3 n ASP 139 N -3.35 -6.58 0.15 -1.43 4.64 -1.26 -4.52 116.55 104.19 2jc3 n ASP 139 Ca -0.31 -0.24 0.19 0.00 -1.38 0.00 0.00 54.79 53.05 2jc3 n ASP 139 Cb 1.05 -3.66 0.78 0.00 -1.04 0.00 0.00 41.12 38.25 2jc3 n ASP 139 CO 0.00 0.00 0.00 0.06 -0.82 0.00 0.00 177.20 176.44 2jc3 h GLN 140 N 0.78 0.00 0.00 -0.67 3.07 -1.96 -0.37 115.11 115.96 2jc3 h GLN 140 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.46 2jc3 h GLN 140 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.75 2jc3 h GLN 140 CO 0.29 0.00 -0.31 0.74 0.09 0.00 0.00 178.83 179.64 2jc3 h PHE 141 N 0.00 0.00 0.00 0.06 0.04 -1.90 -3.37 116.94 111.76 2jc3 h PHE 141 Ca 0.15 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.92 2jc3 h PHE 141 Cb 0.87 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.02 2jc3 h PHE 141 CO 0.00 0.00 0.00 0.09 -0.60 0.00 0.00 178.31 177.80 2jc3 n ASN 142 N -2.35 0.37 -4.62 2.17 3.02 -0.77 -2.27 115.26 110.81 2jc3 n ASN 142 Ca 0.04 -0.75 -0.43 0.00 -0.03 0.00 0.00 54.58 53.41 2jc3 n ASN 142 Cb 0.46 0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.79 2jc3 n ASN 142 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2jc3 s ASN 143 N -0.20 6.77 0.63 6.41 3.84 -0.22 -4.67 114.94 127.50 2jc3 s ASN 143 Ca 0.00 0.77 0.35 0.00 0.21 0.00 0.00 52.86 54.19 2jc3 s ASN 143 Cb 0.00 -2.48 1.94 0.00 -0.55 0.00 0.00 41.25 40.16 2jc3 s ASN 143 CO 0.00 -0.81 2.17 -0.65 -2.79 0.00 0.00 177.10 175.02 2jc3 h PRO 144 N 8.26 0.00 0.00 0.43 0.11 -1.94 -1.21 132.00 137.65 2jc3 h PRO 144 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2jc3 h PRO 144 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2jc3 h PRO 144 CO 0.98 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 178.33 2jc3 h ASP 145 N 0.00 0.00 0.27 -2.05 3.45 -1.94 -2.23 116.42 113.92 2jc3 h ASP 145 Ca 0.03 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.48 2jc3 h ASP 145 Cb 0.31 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.08 2jc3 h ASP 145 CO -0.00 0.00 -0.13 -1.13 -1.57 0.00 0.00 179.24 176.41 2jc3 h ASN 146 N 0.00 -0.30 0.06 6.45 -0.73 -1.50 -2.87 115.58 116.68 2jc3 h ASN 146 Ca 0.00 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 2jc3 h ASN 146 Cb 0.49 0.08 -0.00 0.00 0.27 0.00 0.00 38.32 39.16 2jc3 h ASN 146 CO 0.00 -0.14 -0.05 1.55 -0.37 0.00 0.00 177.43 178.43 2jc3 h PRO 147 N -0.52 0.00 -0.64 6.67 0.13 -1.71 -2.04 132.00 133.89 2jc3 h PRO 147 Ca -0.04 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.20 2jc3 h PRO 147 Cb 0.27 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.36 2jc3 h PRO 147 CO 0.06 0.05 0.43 -0.92 -0.23 0.00 0.00 178.00 177.39 2jc3 h TYR 148 N 0.00 0.47 -0.56 1.56 3.20 -1.41 -0.24 116.97 119.99 2jc3 h TYR 148 Ca -0.00 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 2jc3 h TYR 148 Cb 0.09 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 2jc3 h TYR 148 CO 0.00 0.22 0.19 0.00 -1.64 0.00 0.00 178.16 176.93 2jc3 h ALA 149 N 1.68 0.73 -0.00 1.82 0.00 -1.13 -2.16 119.26 120.19 2jc3 h ALA 149 Ca 0.30 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 2jc3 h ALA 149 Cb 0.59 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2jc3 h ALA 149 CO -0.09 0.37 -0.63 0.45 0.00 0.00 0.00 179.25 179.35 2jc3 h HIS 150 N 0.77 0.01 -0.62 0.00 3.86 -1.29 0.06 115.15 117.95 2jc3 h HIS 150 Ca 0.18 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.32 2jc3 h HIS 150 Cb 0.25 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 2jc3 h HIS 150 CO 0.01 0.64 0.10 -0.92 0.86 0.00 0.00 177.93 178.62 2jc3 h TYR 151 N 0.00 1.05 0.00 2.45 3.20 -0.86 0.41 116.97 123.21 2jc3 h TYR 151 Ca -0.01 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.73 2jc3 h TYR 151 Cb 1.12 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.10 2jc3 h TYR 151 CO 0.00 0.89 -1.29 0.25 -1.64 0.00 0.00 178.16 176.37 2jc3 n THR 152 N -4.23 0.35 0.03 1.81 -2.24 -0.83 -4.38 114.28 104.80 2jc3 n THR 152 Ca 0.04 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2jc3 n THR 152 Cb 0.28 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 2jc3 n THR 152 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jc3 n THR 153 N -2.41 0.55 0.11 4.28 -2.24 -0.00 -4.67 114.28 109.90 2jc3 n THR 153 Ca -0.01 0.18 -0.14 0.00 -2.27 0.00 0.00 64.05 61.81 2jc3 n THR 153 Cb 0.53 -1.15 -0.07 0.00 -2.10 0.00 0.00 70.33 67.54 2jc3 n THR 153 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2jc3 h THR 154 N 0.00 0.17 0.15 4.28 2.02 -1.63 0.12 112.91 118.03 2jc3 h THR 154 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 2jc3 h THR 154 Cb 0.00 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 2jc3 h THR 154 CO 0.00 0.00 -0.20 1.23 0.37 0.00 0.00 175.52 176.92 2jc3 h GLY 155 N -0.63 -0.39 0.96 2.16 0.00 -1.17 -0.86 103.07 103.13 2jc3 h GLY 155 Ca 0.03 0.23 0.10 0.00 0.00 0.00 0.00 47.33 47.68 2jc3 h GLY 155 CO -0.24 -0.19 0.44 -2.55 0.00 0.00 0.00 176.54 174.00 2jc3 h PRO 156 N -0.40 0.50 -0.16 4.80 0.11 -1.72 -1.49 132.00 133.64 2jc3 h PRO 156 Ca 0.01 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.04 2jc3 h PRO 156 Cb 0.40 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 2jc3 h PRO 156 CO -0.08 0.33 -0.13 0.93 -0.21 0.00 0.00 178.00 178.84 2jc3 h GLU 157 N 0.51 0.37 -0.46 1.05 5.08 -0.40 -2.23 114.58 118.51 2jc3 h GLU 157 Ca 0.31 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2jc3 h GLU 157 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2jc3 h GLU 157 CO -0.10 0.73 0.27 0.82 -1.00 0.00 0.00 179.01 179.72 2jc3 h ILE 158 N 0.02 1.04 -0.33 3.13 2.04 -0.61 0.26 117.51 123.06 2jc3 h ILE 158 Ca 0.03 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.73 2jc3 h ILE 158 Cb 0.64 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2jc3 h ILE 158 CO 0.03 0.10 0.15 -0.25 0.00 0.00 0.00 178.15 178.18 2jc3 h TRP 159 N 0.53 0.27 -0.54 1.37 2.91 -1.27 -0.59 115.95 118.62 2jc3 h TRP 159 Ca 0.19 0.01 -0.11 0.00 1.13 0.00 0.00 58.89 60.11 2jc3 h TRP 159 Cb 0.03 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 28.59 2jc3 h TRP 159 CO -0.07 0.14 -0.10 -0.09 -1.03 0.00 0.00 178.44 177.28 2jc3 h ARG 160 N 0.31 1.03 -0.09 2.65 2.43 -1.03 -0.52 114.38 119.15 2jc3 h ARG 160 Ca 0.14 -0.38 -0.13 0.00 -0.81 0.00 0.00 59.98 58.80 2jc3 h ARG 160 Cb 0.08 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2jc3 h ARG 160 CO -0.12 1.07 -0.50 1.96 -1.51 0.00 0.00 179.97 180.87 2jc3 h GLN 161 N 0.91 0.25 -0.35 0.20 4.20 -0.10 -2.31 115.11 117.91 2jc3 h GLN 161 Ca 0.14 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2jc3 h GLN 161 Cb 0.67 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.46 2jc3 h GLN 161 CO 0.05 0.70 0.00 0.25 -0.67 0.00 0.00 178.83 179.16 2jc3 n THR 162 N -3.95 0.46 -4.07 -0.54 -2.24 -0.26 -4.92 114.28 98.76 2jc3 n THR 162 Ca -0.02 -0.53 -0.30 0.00 -2.27 0.00 0.00 64.05 60.93 2jc3 n THR 162 Cb 0.55 0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 69.13 2jc3 n THR 162 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jc3 n SER 163 N 0.70 -1.86 0.00 3.42 7.64 -0.87 -0.36 113.62 122.29 2jc3 n SER 163 Ca 0.15 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 59.04 2jc3 n SER 163 Cb 0.38 -2.97 0.00 0.00 -1.01 0.00 0.00 64.21 60.61 2jc3 n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jc3 n GLY 164 N -1.74 0.24 0.17 0.23 0.00 -0.25 -4.85 105.19 99.00 2jc3 n GLY 164 Ca -0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.02 2jc3 n GLY 164 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jc3 h ARG 165 N 0.65 0.00 -6.45 1.61 3.08 -0.99 -3.46 114.38 108.82 2jc3 h ARG 165 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 2jc3 h ARG 165 Cb 0.31 0.00 0.10 0.00 0.08 0.00 0.00 29.97 30.46 2jc3 h ARG 165 CO 0.00 0.00 0.23 1.51 -1.07 0.00 0.00 179.97 180.64 2jc3 n ILE 166 N -2.69 1.56 0.00 2.04 3.06 -1.26 -4.65 119.36 117.42 2jc3 n ILE 166 Ca 0.04 -0.39 0.00 0.00 -2.50 0.00 0.00 62.75 59.90 2jc3 n ILE 166 Cb 0.44 -1.01 0.00 0.00 0.54 0.00 0.00 39.64 39.60 2jc3 n ILE 166 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2jc3 n THR 167 N 0.78 0.00 -3.94 9.51 -2.24 -0.21 -4.88 114.28 113.30 2jc3 n THR 167 Ca 0.11 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.78 2jc3 n THR 167 Cb 0.30 0.10 -0.13 0.00 -2.10 0.00 0.00 70.33 68.49 2jc3 n THR 167 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2jc3 s HIS 168 N -1.90 0.14 -0.11 4.78 3.76 -1.14 -1.29 115.29 119.53 2jc3 s HIS 168 Ca 0.00 -0.17 0.01 0.00 -0.15 0.00 0.00 55.06 54.75 2jc3 s HIS 168 Cb 0.00 -0.10 0.02 0.00 1.11 0.00 0.00 32.58 33.61 2jc3 s HIS 168 CO 0.00 -0.05 -0.15 0.12 -0.85 0.00 0.00 174.74 173.81 2jc3 s PHE 169 N -0.46 1.99 -0.09 1.40 5.36 -0.02 -1.49 117.98 124.67 2jc3 s PHE 169 Ca -0.04 -0.96 0.02 0.00 -0.96 0.00 0.00 56.93 54.99 2jc3 s PHE 169 Cb -0.03 -1.44 -0.02 0.00 -0.34 0.00 0.00 43.02 41.19 2jc3 s PHE 169 CO -0.00 -0.51 -0.16 0.08 -1.46 0.00 0.00 175.22 173.17 2jc3 s VAL 170 N 1.08 2.81 -0.14 3.12 1.01 0.24 0.08 120.40 128.60 2jc3 s VAL 170 Ca -0.05 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 2jc3 s VAL 170 Cb -0.15 -2.12 0.06 0.00 0.00 0.00 0.00 36.38 34.17 2jc3 s VAL 170 CO -0.03 0.56 0.31 -0.55 0.00 0.00 0.00 175.10 175.38 2jc3 s SER 171 N -0.09 -0.20 0.12 3.32 0.15 -0.51 -2.59 113.70 113.89 2jc3 s SER 171 Ca -0.03 0.68 -0.31 0.00 0.70 0.00 0.00 55.95 56.99 2jc3 s SER 171 Cb -0.14 0.64 -0.07 0.00 -1.71 0.00 0.00 66.02 64.74 2jc3 s SER 171 CO 0.04 -0.19 1.25 -0.44 1.20 0.00 0.00 173.24 175.10 2jc3 s SER 172 N 1.66 7.00 -0.24 5.45 0.01 -1.26 -1.12 113.70 125.20 2jc3 s SER 172 Ca -0.07 2.18 -0.15 0.00 1.31 0.00 0.00 55.95 59.23 2jc3 s SER 172 Cb -0.10 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 2jc3 s SER 172 CO -0.10 -0.49 0.35 -0.04 0.41 0.00 0.00 173.24 173.37 2jc3 s MET 173 N 0.62 4.08 0.00 12.44 1.00 -0.09 -4.85 119.30 132.50 2jc3 s MET 173 Ca 0.58 0.05 0.00 0.00 0.00 0.00 0.00 55.69 56.33 2jc3 s MET 173 Cb -0.33 -3.59 0.00 0.00 0.00 0.00 0.00 34.83 30.91 2jc3 s MET 173 CO 0.32 -0.14 0.00 0.41 0.00 0.00 0.00 175.02 175.62 2jc3 n GLY 174 N 4.34 0.32 0.22 -0.03 0.00 -1.26 -3.93 105.19 104.84 2jc3 n GLY 174 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.05 2jc3 n GLY 174 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jc3 h THR 175 N 0.00 0.03 0.00 2.61 1.35 -1.92 -3.45 112.91 111.53 2jc3 h THR 175 Ca 0.00 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 2jc3 h THR 175 Cb 0.00 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 2jc3 h THR 175 CO 0.00 0.02 0.00 0.35 -0.25 0.00 0.00 175.52 175.64 2jc3 n THR 176 N -3.10 0.00 -0.25 6.82 -2.24 -1.26 -4.68 114.28 109.57 2jc3 n THR 176 Ca 0.04 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.81 2jc3 n THR 176 Cb 0.53 0.00 0.19 0.00 -2.10 0.00 0.00 70.33 68.95 2jc3 n THR 176 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2jc3 h GLY 177 N 0.00 1.13 0.49 3.38 0.00 -1.91 -0.80 103.07 105.36 2jc3 h GLY 177 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 2jc3 h GLY 177 CO 0.00 0.45 -0.04 -0.84 0.00 0.00 0.00 176.54 176.12 2jc3 h THR 178 N 1.08 1.19 -0.64 4.70 2.02 -1.92 -2.15 112.91 117.18 2jc3 h THR 178 Ca 0.28 -1.09 -0.04 0.00 0.77 0.00 0.00 66.41 66.33 2jc3 h THR 178 Cb -0.04 1.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 2jc3 h THR 178 CO -0.05 0.26 0.23 -0.29 0.37 0.00 0.00 175.52 176.04 2jc3 h ILE 179 N -0.61 1.24 -0.29 3.11 2.10 -1.91 -0.17 117.51 120.98 2jc3 h ILE 179 Ca -0.01 -0.79 0.01 0.00 1.08 0.00 0.00 64.86 65.15 2jc3 h ILE 179 Cb 0.51 0.56 -0.02 0.00 -1.09 0.00 0.00 36.82 36.78 2jc3 h ILE 179 CO 0.02 0.31 0.17 0.74 -1.08 0.00 0.00 178.15 178.30 2jc3 h THR 180 N 0.91 1.04 0.07 2.19 2.02 -1.21 0.91 112.91 118.83 2jc3 h THR 180 Ca 0.21 -0.12 -0.25 0.00 0.77 0.00 0.00 66.41 67.02 2jc3 h THR 180 Cb 0.25 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 2jc3 h THR 180 CO -0.01 0.06 -1.08 1.23 0.37 0.00 0.00 175.52 176.09 2jc3 h GLY 181 N 0.35 0.36 1.08 2.16 0.00 -1.28 -2.42 103.07 103.32 2jc3 h GLY 181 Ca 0.11 -0.76 -0.12 0.00 0.00 0.00 0.00 47.33 46.56 2jc3 h GLY 181 CO -0.05 0.67 -0.18 -2.08 0.00 0.00 0.00 176.54 174.89 2jc3 h VAL 182 N 0.14 1.27 0.04 4.60 2.07 -0.94 -2.86 116.25 120.57 2jc3 h VAL 182 Ca -0.10 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.08 2jc3 h VAL 182 Cb 1.77 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 2jc3 h VAL 182 CO 0.18 0.46 -0.02 -1.28 0.02 0.00 0.00 177.57 176.93 2jc3 h SER 183 N 0.80 -0.04 -1.03 0.57 0.87 -0.82 -0.80 113.55 113.09 2jc3 h SER 183 Ca 0.11 -0.00 0.27 0.00 -1.23 0.00 0.00 61.79 60.94 2jc3 h SER 183 Cb 0.76 0.01 -0.12 0.00 -0.44 0.00 0.00 62.40 62.60 2jc3 h SER 183 CO 0.06 -0.03 0.62 -0.09 -0.53 0.00 0.00 176.83 176.86 2jc3 h ARG 184 N -0.06 0.45 0.22 2.24 2.43 -1.39 0.11 114.38 118.38 2jc3 h ARG 184 Ca -0.01 -0.03 -0.33 0.00 -0.81 0.00 0.00 59.98 58.81 2jc3 h ARG 184 Cb 0.04 -0.10 0.03 0.00 -0.42 0.00 0.00 29.97 29.53 2jc3 h ARG 184 CO 0.01 0.30 -1.41 0.35 -1.51 0.00 0.00 179.97 177.71 2jc3 h PHE 185 N 0.47 0.96 -0.55 2.20 3.04 -1.17 -3.28 116.94 118.61 2jc3 h PHE 185 Ca 0.66 -0.68 -0.10 0.00 3.98 0.00 0.00 57.97 61.83 2jc3 h PHE 185 Cb 1.44 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 39.88 2jc3 h PHE 185 CO -0.01 1.52 -0.07 -0.07 -2.02 0.00 0.00 178.31 177.67 2jc3 h LEU 186 N 0.17 0.99 -1.96 0.59 3.38 0.30 -2.58 115.31 116.21 2jc3 h LEU 186 Ca -0.23 -0.30 0.10 0.00 0.09 0.00 0.00 57.88 57.53 2jc3 h LEU 186 Cb 2.10 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 2jc3 h LEU 186 CO 0.26 1.08 0.26 0.03 0.09 0.00 0.00 178.44 180.17 2jc3 h ARG 187 N 0.90 0.05 0.00 1.13 2.47 -0.95 0.19 114.38 118.17 2jc3 h ARG 187 Ca 0.15 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.87 2jc3 h ARG 187 Cb 0.61 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 2jc3 h ARG 187 CO 0.04 0.03 0.00 0.39 0.56 0.00 0.00 179.97 180.99 2jc3 n GLU 188 N -4.44 0.58 -3.90 0.04 1.02 -0.97 -4.73 120.64 108.25 2jc3 n GLU 188 Ca 0.06 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.90 2jc3 n GLU 188 Cb 0.41 -1.26 -0.04 0.00 -0.02 0.00 0.00 31.44 30.54 2jc3 n GLU 188 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2jc3 s GLN 189 N -2.00 3.46 0.06 3.49 -1.52 0.67 -5.02 119.66 118.81 2jc3 s GLN 189 Ca 0.14 -0.44 -0.31 0.00 -1.95 0.00 0.00 55.36 52.81 2jc3 s GLN 189 Cb 0.07 -3.01 -0.18 0.00 -0.22 0.00 0.00 33.01 29.67 2jc3 s GLN 189 CO 0.11 0.58 1.58 0.93 -0.25 0.00 0.00 175.29 178.24 2jc3 h GLU 190 N 2.87 -0.73 -6.67 2.91 5.08 -1.86 -3.42 114.58 112.75 2jc3 h GLU 190 Ca -0.46 0.05 -0.56 0.00 -1.00 0.00 0.00 59.36 57.40 2jc3 h GLU 190 Cb 1.17 0.17 0.08 0.00 0.50 0.00 0.00 28.75 30.66 2jc3 h GLU 190 CO 0.74 -0.47 0.78 1.17 -1.00 0.00 0.00 179.01 180.23 2jc3 n LYS 191 N -5.40 2.39 -2.45 2.33 4.81 -1.26 -4.96 118.16 113.62 2jc3 n LYS 191 Ca -0.12 0.85 -0.33 0.00 -0.87 0.00 0.00 58.31 57.84 2jc3 n LYS 191 Cb 0.32 -2.59 -0.03 0.00 0.02 0.00 0.00 35.03 32.75 2jc3 n LYS 191 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2jc3 s PRO 192 N -0.20 3.83 -0.05 1.64 0.02 -1.26 -4.95 135.00 134.02 2jc3 s PRO 192 Ca 0.68 1.15 -0.02 0.00 0.02 0.00 0.00 61.00 62.83 2jc3 s PRO 192 Cb -0.57 -2.11 0.03 0.00 0.02 0.00 0.00 34.50 31.87 2jc3 s PRO 192 CO 0.47 -0.38 0.12 0.08 -0.33 0.00 0.00 177.00 176.95 2jc3 s VAL 193 N -2.32 -0.05 -0.12 3.83 1.01 -1.26 -4.85 120.40 116.65 2jc3 s VAL 193 Ca 0.63 0.17 -0.24 0.00 0.00 0.00 0.00 61.98 62.53 2jc3 s VAL 193 Cb -0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 2jc3 s VAL 193 CO 0.26 0.07 0.75 -0.89 0.00 0.00 0.00 175.10 175.29 2jc3 s THR 194 N 1.03 4.98 -0.33 3.92 2.01 -0.41 -4.97 115.64 121.87 2jc3 s THR 194 Ca -0.08 1.51 -0.12 0.00 0.31 0.00 0.00 61.69 63.31 2jc3 s THR 194 Cb -0.11 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 2jc3 s THR 194 CO -0.05 0.15 0.22 -0.63 -0.69 0.00 0.00 174.62 173.62 2jc3 s ILE 195 N 1.42 5.20 -0.23 1.82 -1.09 -1.26 -0.84 121.20 126.22 2jc3 s ILE 195 Ca 0.37 -0.18 -0.03 0.00 -2.23 0.00 0.00 60.65 58.58 2jc3 s ILE 195 Cb -0.17 -3.64 -0.00 0.00 -1.58 0.00 0.00 42.46 37.07 2jc3 s ILE 195 CO 0.16 0.04 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.17 2jc3 s VAL 196 N 1.71 3.23 0.06 2.92 1.01 0.11 -1.13 120.40 128.31 2jc3 s VAL 196 Ca 0.06 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.43 2jc3 s VAL 196 Cb -0.17 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 2jc3 s VAL 196 CO 0.10 0.38 0.16 -0.83 0.00 0.00 0.00 175.10 174.92 2jc3 s GLY 197 N 1.44 2.13 0.07 4.51 0.00 0.90 -1.43 107.32 114.94 2jc3 s GLY 197 Ca 0.05 -0.88 0.09 0.00 0.00 0.00 0.00 44.72 43.98 2jc3 s GLY 197 CO -0.04 -0.85 -0.25 1.08 0.00 0.00 0.00 173.10 173.04 2jc3 s LEU 198 N -2.39 2.21 0.04 0.66 1.43 -0.28 -0.91 118.68 119.44 2jc3 s LEU 198 Ca 0.32 -0.62 -0.03 0.00 -1.03 0.00 0.00 54.13 52.77 2jc3 s LEU 198 Cb -0.13 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.87 2jc3 s LEU 198 CO 0.25 0.22 0.04 0.00 0.23 0.00 0.00 176.35 177.09 2jc3 s GLN 199 N -1.43 0.54 0.49 1.70 -2.07 -0.65 -0.92 119.66 117.33 2jc3 s GLN 199 Ca 0.11 -0.84 -0.20 0.00 -1.82 0.00 0.00 55.36 52.61 2jc3 s GLN 199 Cb -0.10 0.20 -0.08 0.00 -1.09 0.00 0.00 33.01 31.95 2jc3 s GLN 199 CO 0.03 -0.12 1.07 -1.25 -1.32 0.00 0.00 175.29 173.70 2jc3 s PRO 200 N -2.71 3.70 0.75 9.60 0.04 -1.26 -0.74 135.00 144.38 2jc3 s PRO 200 Ca -0.04 1.46 -0.14 0.00 0.04 0.00 0.00 61.00 62.32 2jc3 s PRO 200 Cb -0.01 -2.11 0.05 0.00 0.04 0.00 0.00 34.50 32.47 2jc3 s PRO 200 CO -0.05 -0.53 1.18 -1.21 0.04 0.00 0.00 177.00 176.42 2jc3 s GLU 201 N -3.17 2.08 0.29 4.56 2.02 0.38 -4.68 118.70 120.18 2jc3 s GLU 201 Ca 0.68 1.64 -0.30 0.00 0.02 0.00 0.00 54.97 57.01 2jc3 s GLU 201 Cb -0.19 -1.84 -0.11 0.00 0.10 0.00 0.00 34.13 32.09 2jc3 s GLU 201 CO 0.23 -1.85 1.56 -1.21 0.02 0.00 0.00 175.26 174.00 2jc3 s GLU 202 N -4.11 4.15 0.00 1.61 2.02 -1.26 -0.91 118.70 120.20 2jc3 s GLU 202 Ca 0.71 2.52 0.00 0.00 0.02 0.00 0.00 54.97 58.22 2jc3 s GLU 202 Cb -0.26 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 30.93 2jc3 s GLU 202 CO 0.47 -0.58 0.00 0.41 0.02 0.00 0.00 175.26 175.58 2jc3 n GLY 203 N 2.09 3.10 3.78 -1.39 0.00 -1.26 -5.02 105.19 106.48 2jc3 n GLY 203 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 2jc3 n GLY 203 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jc3 s SER 204 N -0.42 7.13 -0.20 1.61 0.01 -0.09 -5.03 113.70 116.72 2jc3 s SER 204 Ca 0.00 1.99 0.01 0.00 1.31 0.00 0.00 55.95 59.26 2jc3 s SER 204 Cb 0.00 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.67 2jc3 s SER 204 CO 0.00 -0.22 -0.17 -0.55 0.41 0.00 0.00 173.24 172.71 2jc3 s SER 205 N -1.45 3.49 -0.27 2.44 0.15 -1.26 -4.75 113.70 112.05 2jc3 s SER 205 Ca 0.51 -0.82 -0.01 0.00 0.70 0.00 0.00 55.95 56.34 2jc3 s SER 205 Cb -0.22 -1.51 0.08 0.00 -1.71 0.00 0.00 66.02 62.66 2jc3 s SER 205 CO 0.28 -0.05 0.06 -0.63 1.20 0.00 0.00 173.24 174.10 2jc3 s ILE 206 N 1.25 1.00 0.13 6.45 1.01 -1.26 -4.79 121.20 125.00 2jc3 s ILE 206 Ca 0.02 -1.25 -0.35 0.00 0.00 0.00 0.00 60.65 59.07 2jc3 s ILE 206 Cb -0.15 -1.62 -0.17 0.00 0.01 0.00 0.00 42.46 40.54 2jc3 s ILE 206 CO -0.11 -0.48 1.16 -2.65 0.00 0.00 0.00 174.94 172.87 2jc3 n PRO 207 N 4.82 0.94 0.00 2.79 -0.02 -1.26 -2.37 135.00 139.91 2jc3 n PRO 207 Ca -0.05 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 2jc3 n PRO 207 Cb 0.43 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2jc3 n PRO 207 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jc3 n GLY 208 N 2.09 2.92 3.54 -1.23 0.00 -1.26 -4.30 105.19 106.95 2jc3 n GLY 208 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 2jc3 n GLY 208 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jc3 s ILE 209 N -2.83 0.56 0.14 -0.61 -4.36 -1.00 -4.54 121.20 108.56 2jc3 s ILE 209 Ca 0.00 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.18 2jc3 s ILE 209 Cb 0.00 -2.28 0.06 0.00 1.25 0.00 0.00 42.46 41.49 2jc3 s ILE 209 CO 0.00 0.00 0.55 0.00 0.24 0.00 0.00 174.94 175.73 2jc3 s ARG 210 N -3.68 1.21 -0.37 0.37 1.70 -1.25 -4.69 118.95 112.23 2jc3 s ARG 210 Ca 0.21 -0.51 -0.23 0.00 -0.47 0.00 0.00 55.73 54.73 2jc3 s ARG 210 Cb 0.02 0.55 0.01 0.00 -0.57 0.00 0.00 34.95 34.96 2jc3 s ARG 210 CO 0.14 -0.51 0.78 0.50 -1.08 0.00 0.00 175.30 175.13 2jc3 s ARG 211 N -3.66 3.71 0.32 3.89 3.52 -1.26 -4.58 118.95 120.89 2jc3 s ARG 211 Ca 0.01 0.26 -0.27 0.00 -0.13 0.00 0.00 55.73 55.60 2jc3 s ARG 211 Cb -0.00 -3.82 -0.10 0.00 -1.56 0.00 0.00 34.95 29.47 2jc3 s ARG 211 CO -0.12 -0.88 0.97 -1.58 -0.81 0.00 0.00 175.30 172.88 2jc3 s TRP 212 N 3.12 3.66 0.26 5.12 0.52 -1.26 -4.99 118.94 125.36 2jc3 s TRP 212 Ca 0.31 1.78 -0.31 0.00 0.02 0.00 0.00 56.10 57.90 2jc3 s TRP 212 Cb -0.13 -2.99 -0.12 0.00 -1.15 0.00 0.00 33.47 29.08 2jc3 s TRP 212 CO 0.18 0.06 1.66 -2.14 0.02 0.00 0.00 176.95 176.73 2jc3 s PRO 213 N -1.95 4.11 0.07 4.98 0.02 -1.26 -4.84 135.00 136.13 2jc3 s PRO 213 Ca 0.50 2.61 -0.08 0.00 0.02 0.00 0.00 61.00 64.04 2jc3 s PRO 213 Cb -0.21 -3.04 0.04 0.00 0.02 0.00 0.00 34.50 31.30 2jc3 s PRO 213 CO 0.27 -0.70 0.53 0.00 -0.33 0.00 0.00 177.00 176.77 2jc3 n ALA 214 N 2.99 -0.12 -1.47 -1.55 0.00 -1.26 0.24 120.51 119.35 2jc3 n ALA 214 Ca 0.12 0.32 -0.25 0.00 0.00 0.00 0.00 53.44 53.63 2jc3 n ALA 214 Cb 0.36 -0.11 0.11 0.00 0.00 0.00 0.00 19.45 19.82 2jc3 n ALA 214 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jc3 n GLU 215 N -4.47 2.61 -2.72 0.00 1.02 -1.26 -4.53 120.64 111.29 2jc3 n GLU 215 Ca 0.02 -3.38 -0.06 0.00 -0.02 0.00 0.00 57.16 53.72 2jc3 n GLU 215 Cb 0.12 -2.17 0.05 0.00 -0.02 0.00 0.00 31.44 29.41 2jc3 n GLU 215 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2jc3 n TYR 216 N -0.97 0.78 -1.47 -0.32 4.02 0.14 -5.11 117.16 114.22 2jc3 n TYR 216 Ca 0.53 -2.49 -0.32 0.00 -0.01 0.00 0.00 57.90 55.61 2jc3 n TYR 216 Cb 1.00 -0.11 0.07 0.00 -0.02 0.00 0.00 39.34 40.29 2jc3 n TYR 216 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 2jc3 s MET 217 N -2.94 2.55 0.65 -0.72 -1.94 -1.25 -4.41 119.30 111.24 2jc3 s MET 217 Ca 0.26 1.20 -0.18 0.00 -1.71 0.00 0.00 55.69 55.26 2jc3 s MET 217 Cb 0.41 -1.93 -0.01 0.00 2.01 0.00 0.00 34.83 35.31 2jc3 s MET 217 CO 0.00 -1.42 1.19 -0.35 -0.01 0.00 0.00 175.02 174.43 2jc3 n PRO 218 N -3.10 0.98 -0.24 2.03 -0.04 -1.26 -4.87 135.00 128.50 2jc3 n PRO 218 Ca 0.09 0.39 0.19 0.00 -0.04 0.00 0.00 63.50 64.13 2jc3 n PRO 218 Cb 0.53 -2.43 0.51 0.00 -0.04 0.00 0.00 33.50 32.07 2jc3 n PRO 218 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2jc3 h GLY 219 N 0.40 0.86 2.00 0.55 0.00 -1.80 -0.94 103.07 104.14 2jc3 h GLY 219 Ca -0.50 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.64 2jc3 h GLY 219 CO 0.52 0.00 0.00 0.29 0.00 0.00 0.00 176.54 177.35 2jc3 n ILE 220 N -4.51 0.63 -2.20 2.60 -5.35 -1.04 -4.86 119.36 104.63 2jc3 n ILE 220 Ca 0.19 -0.00 -0.39 0.00 -0.27 0.00 0.00 62.75 62.28 2jc3 n ILE 220 Cb 0.68 -0.82 -0.02 0.00 -1.74 0.00 0.00 39.64 37.75 2jc3 n ILE 220 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 2jc3 s PHE 221 N -3.14 3.00 -0.36 4.28 2.19 -0.36 -5.00 117.98 118.58 2jc3 s PHE 221 Ca 0.09 1.50 0.00 0.00 0.33 0.00 0.00 56.93 58.85 2jc3 s PHE 221 Cb 0.12 -3.51 0.12 0.00 -1.31 0.00 0.00 43.02 38.44 2jc3 s PHE 221 CO 0.48 -1.60 0.17 1.21 1.83 0.00 0.00 175.22 177.30 2jc3 s ASN 222 N -0.94 3.71 0.51 6.13 3.84 -1.26 -4.99 114.94 121.94 2jc3 s ASN 222 Ca 0.56 -2.05 0.38 0.00 0.21 0.00 0.00 52.86 51.95 2jc3 s ASN 222 Cb -0.34 -0.83 1.54 0.00 -0.55 0.00 0.00 41.25 41.07 2jc3 s ASN 222 CO 0.43 -0.35 1.70 0.00 -2.79 0.00 0.00 177.10 176.09 2jc3 h ALA 223 N 7.46 3.18 0.00 1.71 0.00 -1.95 0.20 119.26 129.87 2jc3 h ALA 223 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jc3 h ALA 223 Cb 0.98 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2jc3 h ALA 223 CO 0.44 -1.65 0.00 -1.13 0.00 0.00 0.00 179.25 176.91 2jc3 n SER 224 N -4.25 0.62 0.02 0.00 3.41 -1.26 -2.52 113.62 109.64 2jc3 n SER 224 Ca 0.33 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.71 2jc3 n SER 224 Cb 1.47 -0.77 0.39 0.00 -0.26 0.00 0.00 64.21 65.04 2jc3 n SER 224 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jc3 n LEU 225 N -2.17 0.40 -4.30 1.04 4.77 0.71 -4.75 117.00 112.70 2jc3 n LEU 225 Ca 0.03 0.30 -0.35 0.00 -0.03 0.00 0.00 56.01 55.95 2jc3 n LEU 225 Cb 0.25 -0.34 -0.14 0.00 -2.33 0.00 0.00 43.42 40.86 2jc3 n LEU 225 CO 0.21 0.01 -0.38 -0.69 -1.33 0.00 0.00 177.39 175.20 2jc3 s VAL 226 N -3.04 3.34 0.05 4.08 1.01 -1.05 -4.77 120.40 120.02 2jc3 s VAL 226 Ca 0.11 -0.56 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 2jc3 s VAL 226 Cb 0.17 -2.54 -0.21 0.00 0.00 0.00 0.00 36.38 33.79 2jc3 s VAL 226 CO 0.63 0.39 1.18 0.44 0.00 0.00 0.00 175.10 177.74 2jc3 h ASP 227 N 8.11 0.73 -4.03 3.32 3.32 -1.41 -3.47 116.42 122.99 2jc3 h ASP 227 Ca -0.40 -0.71 -0.20 0.00 0.02 0.00 0.00 57.03 55.73 2jc3 h ASP 227 Cb 1.15 -0.22 -0.26 0.00 0.22 0.00 0.00 39.33 40.22 2jc3 h ASP 227 CO 0.60 1.34 -0.66 -1.61 -1.72 0.00 0.00 179.24 177.19 2jc3 s GLU 228 N -3.42 0.12 -0.20 3.56 2.02 -0.86 -5.01 118.70 114.91 2jc3 s GLU 228 Ca -0.12 -0.07 0.00 0.00 0.02 0.00 0.00 54.97 54.80 2jc3 s GLU 228 Cb 0.06 0.05 0.02 0.00 0.10 0.00 0.00 34.13 34.36 2jc3 s GLU 228 CO 0.87 -0.02 -0.15 0.08 0.02 0.00 0.00 175.26 176.06 2jc3 s VAL 229 N -0.30 2.38 0.13 2.63 1.01 -1.26 -0.07 120.40 124.92 2jc3 s VAL 229 Ca -0.04 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.02 2jc3 s VAL 229 Cb -0.02 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 2jc3 s VAL 229 CO -0.00 0.41 0.15 -0.76 0.00 0.00 0.00 175.10 174.90 2jc3 s LEU 230 N 1.30 3.93 -0.13 3.92 1.02 -0.08 -4.97 118.68 123.67 2jc3 s LEU 230 Ca 0.03 -0.02 -0.08 0.00 0.02 0.00 0.00 54.13 54.08 2jc3 s LEU 230 Cb -0.14 -2.55 -0.04 0.00 0.02 0.00 0.00 46.19 43.47 2jc3 s LEU 230 CO -0.09 0.10 0.14 -1.81 0.02 0.00 0.00 176.35 174.70 2jc3 s ASP 231 N -2.91 6.37 -0.05 2.29 1.11 -1.26 -1.64 116.67 120.57 2jc3 s ASP 231 Ca 0.31 0.44 0.06 0.00 0.18 0.00 0.00 52.55 53.54 2jc3 s ASP 231 Cb -0.11 -2.07 -0.01 0.00 1.07 0.00 0.00 42.92 41.79 2jc3 s ASP 231 CO 0.24 0.37 -0.23 -0.63 1.18 0.00 0.00 175.17 176.10 2jc3 s ILE 232 N -0.81 2.23 -0.01 0.77 -1.09 0.08 -4.83 121.20 117.54 2jc3 s ILE 232 Ca 0.14 -1.01 -0.21 0.00 -2.23 0.00 0.00 60.65 57.34 2jc3 s ILE 232 Cb -0.12 -1.82 -0.05 0.00 -1.58 0.00 0.00 42.46 38.89 2jc3 s ILE 232 CO 0.03 0.57 0.60 -2.28 -1.23 0.00 0.00 174.94 172.64 2jc3 s HIS 233 N -0.27 3.68 0.29 3.97 5.65 -1.26 -0.47 115.29 126.87 2jc3 s HIS 233 Ca 0.00 1.21 0.00 0.00 0.25 0.00 0.00 55.06 56.52 2jc3 s HIS 233 Cb -0.13 -2.63 0.69 0.00 -1.18 0.00 0.00 32.58 29.33 2jc3 s HIS 233 CO 0.03 0.33 1.61 0.37 -0.65 0.00 0.00 174.74 176.42 2jc3 h GLN 234 N 5.72 0.09 -0.68 2.88 4.15 -1.91 0.39 115.11 125.75 2jc3 h GLN 234 Ca -0.45 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 58.92 2jc3 h GLN 234 Cb 1.20 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.84 2jc3 h GLN 234 CO 0.70 0.06 0.23 -0.97 -1.93 0.00 0.00 178.83 176.91 2jc3 h ASN 235 N 0.09 0.98 0.05 -0.69 -0.73 -1.93 -1.15 115.58 112.21 2jc3 h ASN 235 Ca 0.55 -0.20 -0.11 0.00 1.87 0.00 0.00 56.30 58.41 2jc3 h ASN 235 Cb 1.11 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 39.43 2jc3 h ASN 235 CO -0.78 0.92 -0.34 -0.78 -0.37 0.00 0.00 177.43 176.07 2jc3 h ASP 236 N 0.99 0.42 -0.28 1.15 3.58 -1.39 -0.91 116.42 119.97 2jc3 h ASP 236 Ca 0.22 -0.16 -0.14 0.00 0.42 0.00 0.00 57.03 57.37 2jc3 h ASP 236 Cb 0.28 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.21 2jc3 h ASP 236 CO -0.01 0.74 -0.37 0.00 -2.88 0.00 0.00 179.24 176.72 2jc3 h ALA 237 N 1.29 0.43 -0.55 -0.78 0.00 -0.85 -2.12 119.26 116.68 2jc3 h ALA 237 Ca 0.04 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 2jc3 h ALA 237 Cb 0.77 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2jc3 h ALA 237 CO 0.06 0.51 -0.07 0.93 0.00 0.00 0.00 179.25 180.68 2jc3 h GLU 238 N 0.50 1.00 -0.39 0.00 5.08 -1.08 -0.77 114.58 118.92 2jc3 h GLU 238 Ca 0.03 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 2jc3 h GLU 238 Cb 0.96 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2jc3 h GLU 238 CO 0.09 1.02 0.05 -0.91 -1.00 0.00 0.00 179.01 178.26 2jc3 h ASN 239 N 0.90 0.63 -0.41 1.42 2.35 -1.16 -1.36 115.58 117.95 2jc3 h ASN 239 Ca 0.15 -0.27 -0.08 0.00 -0.55 0.00 0.00 56.30 55.55 2jc3 h ASN 239 Cb 0.62 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 2jc3 h ASN 239 CO 0.04 0.74 -0.04 0.74 -1.65 0.00 0.00 177.43 177.25 2jc3 h THR 240 N 0.49 1.25 -0.19 2.81 2.02 -1.29 0.71 112.91 118.71 2jc3 h THR 240 Ca 0.12 -1.09 0.02 0.00 0.77 0.00 0.00 66.41 66.22 2jc3 h THR 240 Cb 0.39 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2jc3 h THR 240 CO 0.01 0.38 0.06 -0.03 0.37 0.00 0.00 175.52 176.31 2jc3 h MET 241 N 0.76 0.15 -0.37 6.66 1.85 -0.86 0.98 114.93 124.10 2jc3 h MET 241 Ca 0.14 -0.01 -0.10 0.00 -0.61 0.00 0.00 59.70 59.12 2jc3 h MET 241 Cb 0.52 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.50 2jc3 h MET 241 CO 0.03 0.10 -0.18 0.00 -0.40 0.00 0.00 176.91 176.46 2jc3 h ARG 242 N 0.15 0.70 -0.19 0.39 3.08 -0.88 -2.75 114.38 114.88 2jc3 h ARG 242 Ca 0.08 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 59.80 2jc3 h ARG 242 Cb 0.05 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2jc3 h ARG 242 CO -0.09 0.83 -0.23 1.49 -1.07 0.00 0.00 179.97 180.91 2jc3 h GLU 243 N 0.62 0.34 -0.61 0.04 4.81 -0.35 -2.15 114.58 117.27 2jc3 h GLU 243 Ca 0.10 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 2jc3 h GLU 243 Cb 0.65 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 2jc3 h GLU 243 CO 0.05 0.55 0.16 -0.07 -0.73 0.00 0.00 179.01 178.97 2jc3 h LEU 244 N 0.31 0.92 -0.48 1.64 3.38 -0.52 0.13 115.31 120.69 2jc3 h LEU 244 Ca 0.05 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 2jc3 h LEU 244 Cb 0.57 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2jc3 h LEU 244 CO 0.04 0.91 -0.00 0.00 0.09 0.00 0.00 178.44 179.47 2jc3 h ALA 245 N 1.05 0.64 -0.12 1.53 0.00 -1.13 -0.10 119.26 121.12 2jc3 h ALA 245 Ca 0.19 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2jc3 h ALA 245 Cb 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2jc3 h ALA 245 CO 0.00 0.45 -0.40 0.28 0.00 0.00 0.00 179.25 179.57 2jc3 h VAL 246 N 0.70 1.37 0.00 0.00 2.07 -1.22 -2.56 116.25 116.61 2jc3 h VAL 246 Ca 0.13 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.93 2jc3 h VAL 246 Cb 0.51 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2jc3 h VAL 246 CO 0.03 0.51 -1.52 0.54 0.02 0.00 0.00 177.57 177.15 2jc3 n ARG 247 N -4.31 0.51 0.00 1.57 1.74 0.46 -4.52 116.66 112.11 2jc3 n ARG 247 Ca -0.07 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 2jc3 n ARG 247 Cb 0.54 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 2jc3 n ARG 247 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2jc3 n GLU 248 N -2.21 3.01 -1.09 5.56 -0.58 -0.20 -4.68 120.64 120.46 2jc3 n GLU 248 Ca -0.01 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.70 2jc3 n GLU 248 Cb 0.52 -0.78 -0.01 0.00 -0.57 0.00 0.00 31.44 30.59 2jc3 n GLU 248 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jc3 n GLY 249 N 1.84 0.61 3.37 0.62 0.00 -0.36 -4.99 105.19 106.28 2jc3 n GLY 249 Ca 0.00 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 2jc3 n GLY 249 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jc3 s ILE 250 N -2.11 4.58 -0.48 -0.61 1.01 -0.80 -4.91 121.20 117.88 2jc3 s ILE 250 Ca 0.00 -0.87 -0.17 0.00 0.00 0.00 0.00 60.65 59.61 2jc3 s ILE 250 Cb 0.00 -3.56 0.06 0.00 0.01 0.00 0.00 42.46 38.97 2jc3 s ILE 250 CO 0.00 -0.24 0.48 0.12 0.00 0.00 0.00 174.94 175.30 2jc3 s PHE 251 N 1.55 3.16 0.26 3.97 5.99 -1.26 -2.24 117.98 129.41 2jc3 s PHE 251 Ca 0.02 -0.69 0.06 0.00 0.00 0.00 0.00 56.93 56.32 2jc3 s PHE 251 Cb -0.19 -3.25 -0.02 0.00 0.00 0.00 0.00 43.02 39.56 2jc3 s PHE 251 CO 0.07 -0.87 0.22 0.00 -0.00 0.00 0.00 175.22 174.64 2jc3 n GLY 253 N -0.49 -0.26 0.20 0.00 0.00 -1.18 -3.99 105.19 99.47 2jc3 n GLY 253 Ca 0.06 -1.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 2jc3 n GLY 253 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2jc3 h VAL 254 N -1.05 1.15 -0.02 1.61 2.07 -1.89 -1.87 116.25 116.25 2jc3 h VAL 254 Ca -0.32 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 2jc3 h VAL 254 Cb 1.03 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2jc3 h VAL 254 CO 0.28 0.16 -0.25 0.77 0.02 0.00 0.00 177.57 178.55 2jc3 h SER 255 N 0.58 0.04 -0.11 0.57 4.64 -1.91 -0.25 113.55 117.11 2jc3 h SER 255 Ca 0.16 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.36 2jc3 h SER 255 Cb 0.03 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2jc3 h SER 255 CO -0.03 0.29 -0.26 0.28 -0.87 0.00 0.00 176.83 176.25 2jc3 h SER 256 N 0.04 0.57 -0.49 4.97 0.02 -1.70 0.34 113.55 117.29 2jc3 h SER 256 Ca 0.00 -0.20 -0.13 0.00 -0.84 0.00 0.00 61.79 60.63 2jc3 h SER 256 Cb 0.46 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2jc3 h SER 256 CO 0.03 0.81 -0.19 1.23 -1.14 0.00 0.00 176.83 177.57 2jc3 h GLY 257 N 1.01 1.08 1.19 -3.77 0.00 -0.52 -1.72 103.07 100.35 2jc3 h GLY 257 Ca 0.07 -0.95 -0.02 0.00 0.00 0.00 0.00 47.33 46.43 2jc3 h GLY 257 CO 0.05 0.86 0.39 -1.33 0.00 0.00 0.00 176.54 176.52 2jc3 h GLY 258 N 0.86 1.13 1.04 4.60 0.00 -0.55 0.12 103.07 110.27 2jc3 h GLY 258 Ca 0.12 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 2jc3 h GLY 258 CO 0.06 0.50 -0.16 0.00 0.00 0.00 0.00 176.54 176.94 2jc3 h ALA 259 N 1.37 0.61 -0.14 3.60 0.00 -0.64 -0.81 119.26 123.26 2jc3 h ALA 259 Ca 0.26 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 2jc3 h ALA 259 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2jc3 h ALA 259 CO -0.04 0.55 -0.55 0.28 0.00 0.00 0.00 179.25 179.49 2jc3 h VAL 260 N 0.72 1.34 -0.69 0.00 2.07 -1.01 -0.38 116.25 118.30 2jc3 h VAL 260 Ca 0.11 -1.83 0.05 0.00 0.82 0.00 0.00 66.70 65.84 2jc3 h VAL 260 Cb 0.71 1.83 -0.05 0.00 -1.52 0.00 0.00 31.29 32.26 2jc3 h VAL 260 CO 0.05 0.56 0.41 0.00 0.02 0.00 0.00 177.57 178.61 2jc3 h ALA 261 N 1.07 0.92 -0.47 1.67 0.00 -0.51 0.16 119.26 122.09 2jc3 h ALA 261 Ca 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2jc3 h ALA 261 Cb 1.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2jc3 h ALA 261 CO 0.10 0.13 -0.15 0.78 0.00 0.00 0.00 179.25 180.11 2jc3 h GLY 262 N 0.78 0.97 1.96 0.00 0.00 -0.73 -2.50 103.07 103.55 2jc3 h GLY 262 Ca 0.30 -0.79 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 2jc3 h GLY 262 CO -0.15 0.72 -0.34 0.00 0.00 0.00 0.00 176.54 176.77 2jc3 h ALA 263 N 1.03 1.39 -0.43 3.60 0.00 -0.11 -1.91 119.26 122.82 2jc3 h ALA 263 Ca 0.12 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2jc3 h ALA 263 Cb 0.68 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2jc3 h ALA 263 CO 0.05 0.45 -0.01 -0.07 0.00 0.00 0.00 179.25 179.67 2jc3 h LEU 264 N 0.04 0.76 -0.28 0.00 3.38 -0.35 0.10 115.31 118.95 2jc3 h LEU 264 Ca 0.00 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.67 2jc3 h LEU 264 Cb 0.62 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2jc3 h LEU 264 CO 0.05 0.89 0.17 0.03 0.09 0.00 0.00 178.44 179.67 2jc3 h ARG 265 N 0.61 0.34 0.16 1.13 3.08 -1.01 0.73 114.38 119.42 2jc3 h ARG 265 Ca 0.12 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 2jc3 h ARG 265 Cb 0.51 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2jc3 h ARG 265 CO 0.02 0.23 -0.08 0.28 -1.07 0.00 0.00 179.97 179.35 2jc3 h VAL 266 N 0.35 0.85 -0.40 2.04 2.07 -1.18 -1.28 116.25 118.70 2jc3 h VAL 266 Ca 0.11 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.65 2jc3 h VAL 266 Cb -0.01 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 2jc3 h VAL 266 CO -0.05 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.56 2jc3 h ALA 267 N 0.59 0.37 -0.79 1.67 0.00 -0.57 -0.72 119.26 119.81 2jc3 h ALA 267 Ca -0.02 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2jc3 h ALA 267 Cb 0.19 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2jc3 h ALA 267 CO 0.04 -0.39 0.34 0.00 0.00 0.00 0.00 179.25 179.24 2jc3 h ARG 268 N 0.11 1.17 -0.00 0.00 3.08 -0.72 -2.59 114.38 115.42 2jc3 h ARG 268 Ca 0.20 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jc3 h ARG 268 Cb 0.28 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2jc3 h ARG 268 CO -0.33 0.93 -0.08 0.00 -1.07 0.00 0.00 179.97 179.42 2jc3 n ALA 269 N -2.43 2.69 -3.37 0.04 0.00 -0.49 -4.54 120.51 112.40 2jc3 n ALA 269 Ca 0.07 -0.24 -0.25 0.00 0.00 0.00 0.00 53.44 53.03 2jc3 n ALA 269 Cb 0.17 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.14 2jc3 n ALA 269 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2jc3 s THR 270 N -2.47 0.13 0.27 0.00 2.01 -0.32 -5.07 115.64 110.19 2jc3 s THR 270 Ca 0.30 -2.12 -0.29 0.00 0.31 0.00 0.00 61.69 59.89 2jc3 s THR 270 Cb 0.20 -1.08 -0.14 0.00 0.01 0.00 0.00 72.50 71.49 2jc3 s THR 270 CO 0.47 -1.03 1.01 -2.65 -0.69 0.00 0.00 174.62 171.72 2jc3 n PRO 271 N 3.32 1.26 -0.86 4.92 -0.02 -1.25 -1.45 135.00 140.92 2jc3 n PRO 271 Ca 0.22 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2jc3 n PRO 271 Cb 0.45 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 2jc3 n PRO 271 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jc3 n GLY 272 N 1.38 1.13 3.76 -1.23 0.00 -0.84 -4.85 105.19 104.55 2jc3 n GLY 272 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2jc3 n GLY 272 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jc3 s ALA 273 N -3.68 2.94 -0.62 4.61 0.00 -0.53 -4.69 121.76 119.79 2jc3 s ALA 273 Ca 0.00 1.12 -0.03 0.00 0.00 0.00 0.00 51.96 53.05 2jc3 s ALA 273 Cb 0.00 -3.47 0.16 0.00 0.00 0.00 0.00 23.12 19.82 2jc3 s ALA 273 CO 0.00 -0.95 0.44 0.42 0.00 0.00 0.00 175.76 175.66 2jc3 s ILE 274 N -1.42 3.67 -0.03 0.00 -1.09 -1.26 -0.06 121.20 121.01 2jc3 s ILE 274 Ca 0.66 -2.99 -0.18 0.00 -2.23 0.00 0.00 60.65 55.91 2jc3 s ILE 274 Cb -0.34 -3.40 -0.05 0.00 -1.58 0.00 0.00 42.46 37.09 2jc3 s ILE 274 CO 0.41 -0.88 0.51 -0.69 -1.23 0.00 0.00 174.94 173.06 2jc3 s VAL 275 N -0.10 5.01 -0.15 2.92 1.01 0.35 -1.04 120.40 128.40 2jc3 s VAL 275 Ca 0.17 1.05 0.01 0.00 0.00 0.00 0.00 61.98 63.21 2jc3 s VAL 275 Cb -0.20 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.34 2jc3 s VAL 275 CO -0.03 0.44 -0.18 -0.69 0.00 0.00 0.00 175.10 174.64 2jc3 s VAL 276 N -0.26 2.38 0.06 2.92 1.01 -0.56 0.11 120.40 126.07 2jc3 s VAL 276 Ca 0.27 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.48 2jc3 s VAL 276 Cb -0.17 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 2jc3 s VAL 276 CO 0.14 0.53 -0.25 0.00 0.00 0.00 0.00 175.10 175.52 2jc3 s ALA 277 N 0.82 2.13 -0.15 5.51 0.00 0.69 -0.60 121.76 130.17 2jc3 s ALA 277 Ca -0.06 -1.24 -0.24 0.00 0.00 0.00 0.00 51.96 50.42 2jc3 s ALA 277 Cb -0.15 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 2jc3 s ALA 277 CO -0.01 0.49 0.77 0.42 0.00 0.00 0.00 175.76 177.43 2jc3 s ILE 278 N -0.85 4.95 -0.45 0.00 -1.09 -1.07 -0.91 121.20 121.78 2jc3 s ILE 278 Ca 0.11 1.51 -0.16 0.00 -2.23 0.00 0.00 60.65 59.88 2jc3 s ILE 278 Cb -0.10 -4.08 0.05 0.00 -1.58 0.00 0.00 42.46 36.76 2jc3 s ILE 278 CO 0.03 0.10 0.38 -0.63 -1.23 0.00 0.00 174.94 173.58 2jc3 s ILE 279 N 1.76 5.22 0.32 2.92 -1.09 -0.24 -4.74 121.20 125.35 2jc3 s ILE 279 Ca 0.37 -0.89 0.04 0.00 -2.23 0.00 0.00 60.65 57.94 2jc3 s ILE 279 Cb -0.17 -4.07 0.12 0.00 -1.58 0.00 0.00 42.46 36.76 2jc3 s ILE 279 CO 0.14 -0.50 1.81 0.00 -1.23 0.00 0.00 174.94 175.16 2jc3 s ASP 281 N -6.78 -0.04 0.67 0.00 3.84 -1.26 -0.70 116.67 112.40 2jc3 s ASP 281 Ca -0.07 -0.91 -0.07 0.00 -0.00 0.00 0.00 52.55 51.50 2jc3 s ASP 281 Cb 0.15 0.73 0.04 0.00 -1.38 0.00 0.00 42.92 42.46 2jc3 s ASP 281 CO 0.77 -1.43 0.98 -0.13 -0.00 0.00 0.00 175.17 175.37 2jc3 s ARG 282 N -2.56 2.46 0.14 2.11 0.52 -1.21 -3.09 118.95 117.32 2jc3 s ARG 282 Ca 0.16 -0.15 0.26 0.00 -0.52 0.00 0.00 55.73 55.49 2jc3 s ARG 282 Cb -0.04 -2.20 0.82 0.00 0.52 0.00 0.00 34.95 34.05 2jc3 s ARG 282 CO 0.09 -1.06 1.73 0.41 0.02 0.00 0.00 175.30 176.49 2jc3 n GLY 283 N -2.82 -1.60 0.39 -3.53 0.00 -0.76 -3.74 105.19 93.13 2jc3 n GLY 283 Ca 0.07 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 2jc3 n GLY 283 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jc3 h ASP 284 N 0.00 -1.50 0.00 1.61 3.32 -1.91 0.13 116.42 118.08 2jc3 h ASP 284 Ca 0.00 0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2jc3 h ASP 284 Cb 0.68 0.71 0.00 0.00 0.22 0.00 0.00 39.33 40.94 2jc3 h ASP 284 CO 0.00 -0.31 0.00 0.54 -1.72 0.00 0.00 179.24 177.75 2jc3 n ARG 285 N -5.41 0.50 -0.00 3.56 1.74 -1.26 -2.18 116.66 113.61 2jc3 n ARG 285 Ca 0.04 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.20 2jc3 n ARG 285 Cb 0.35 -1.32 -0.11 0.00 -1.02 0.00 0.00 32.46 30.37 2jc3 n ARG 285 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2jc3 n TYR 286 N -0.82 0.00 -0.20 -1.55 4.01 0.46 -4.62 117.16 114.43 2jc3 n TYR 286 Ca 0.08 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.83 2jc3 n TYR 286 Cb 0.04 -0.16 0.11 0.00 -0.31 0.00 0.00 39.34 39.02 2jc3 n TYR 286 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2jc3 h LEU 287 N 0.00 -0.09 0.00 7.72 3.38 -1.37 -0.69 115.31 124.26 2jc3 h LEU 287 Ca 0.00 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2jc3 h LEU 287 Cb 0.53 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2jc3 h LEU 287 CO 0.00 -0.04 0.00 -1.54 0.09 0.00 0.00 178.44 176.95 2jc3 n SER 288 N -5.19 0.00 -0.12 -0.43 3.41 -1.26 -2.09 113.62 107.94 2jc3 n SER 288 Ca 0.09 0.28 0.12 0.00 -0.26 0.00 0.00 58.87 59.11 2jc3 n SER 288 Cb 0.35 -0.39 0.26 0.00 -0.26 0.00 0.00 64.21 64.17 2jc3 n SER 288 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2jc3 n THR 289 N -1.39 0.00 -0.18 6.66 -2.24 -0.27 -4.95 114.28 111.91 2jc3 n THR 289 Ca 0.05 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2jc3 n THR 289 Cb 0.14 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 2jc3 n THR 289 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jc3 n GLY 290 N 1.43 1.87 0.33 3.38 0.00 -0.89 -4.91 105.19 106.41 2jc3 n GLY 290 Ca 0.08 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.29 2jc3 n GLY 290 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2jc3 h VAL 291 N 0.00 0.18 0.00 1.61 -1.51 -1.81 -2.62 116.25 112.10 2jc3 h VAL 291 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2jc3 h VAL 291 Cb 0.00 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.07 2jc3 h VAL 291 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 2jc3 n PHE 292 N -3.32 0.00 -1.97 5.19 3.01 -1.26 -4.80 117.46 114.31 2jc3 n PHE 292 Ca -0.02 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.02 2jc3 n PHE 292 Cb 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 2jc3 n PHE 292 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jc3 n GLY 293 N 4.27 4.16 0.00 1.37 0.00 -1.26 -5.15 105.19 108.58 2jc3 n GLY 293 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2jc3 n GLY 293 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11