#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 0.00 -4.94 6.12 6.94 -1.26 -4.89 115.26 117.23 2jc3 n ASN 2 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 54.58 54.34 2jc3 n ASN 2 Cb 0.00 -0.23 0.01 0.00 -2.36 0.00 0.00 39.78 37.19 2jc3 n ASN 2 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2jc3 s THR 3 N 0.00 2.18 0.51 5.53 -4.23 -1.26 -4.98 115.64 113.39 2jc3 s THR 3 Ca 0.00 -1.27 0.21 0.00 -1.18 0.00 0.00 61.69 59.45 2jc3 s THR 3 Cb 0.00 -2.45 0.36 0.00 1.34 0.00 0.00 72.50 71.75 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 0.66 0.06 -1.21 4.79 5.85 -1.99 -1.84 115.31 121.63 2jc3 h LEU 4 Ca -0.36 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.49 2jc3 h LEU 4 Cb 1.29 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.23 2jc3 h LEU 4 CO 0.52 0.04 0.59 -0.08 -0.34 0.00 0.00 178.44 179.16 2jc3 h GLU 5 N 0.07 0.77 0.00 1.25 4.81 -1.93 0.13 114.58 119.67 2jc3 h GLU 5 Ca 0.21 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2jc3 h GLU 5 Cb 0.73 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2jc3 h GLU 5 CO -0.02 0.51 0.00 1.04 -0.73 0.00 0.00 179.01 179.81 2jc3 n GLN 6 N -4.57 0.63 -0.20 1.92 3.00 -0.69 -2.02 117.38 115.46 2jc3 n GLN 6 Ca 0.17 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.28 2jc3 n GLN 6 Cb 0.42 -1.48 0.23 0.00 0.00 0.00 0.00 30.24 29.41 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 -0.98 0.52 -3.00 5.09 -2.24 0.45 -4.89 114.28 109.23 2jc3 n THR 7 Ca 0.15 -0.74 -0.39 0.00 -2.27 0.00 0.00 64.05 60.79 2jc3 n THR 7 Cb 0.07 0.93 -0.06 0.00 -2.10 0.00 0.00 70.33 69.17 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 -1.48 4.50 0.03 2.28 1.01 -0.86 -4.30 121.20 122.38 2jc3 s ILE 8 Ca 0.39 1.65 0.00 0.00 0.00 0.00 0.00 60.65 62.69 2jc3 s ILE 8 Cb 0.23 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.58 2jc3 s ILE 8 CO 0.32 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.35 2jc3 n GLY 9 N 1.83 -2.13 3.71 6.18 0.00 -1.26 -4.95 105.19 108.57 2jc3 n GLY 9 Ca -0.05 -1.45 -0.25 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.79 -4.76 -4.81 1.61 3.02 -1.26 -4.95 115.26 103.32 2jc3 n ASN 10 Ca 0.00 -0.67 -0.33 0.00 -0.03 0.00 0.00 54.58 53.55 2jc3 n ASN 10 Cb 0.06 -4.52 -0.02 0.00 -0.61 0.00 0.00 39.78 34.70 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 -3.36 3.98 0.57 3.41 -4.23 -1.26 -5.01 115.64 109.74 2jc3 s THR 11 Ca 0.49 1.04 -0.19 0.00 -1.18 0.00 0.00 61.69 61.85 2jc3 s THR 11 Cb -0.23 -3.48 -0.05 0.00 1.34 0.00 0.00 72.50 70.08 2jc3 s THR 11 CO 0.78 -0.46 1.13 -2.16 -0.54 0.00 0.00 174.62 173.37 2jc3 s PRO 12 N -3.79 3.24 -0.21 3.99 0.04 -1.26 -4.77 135.00 132.24 2jc3 s PRO 12 Ca 0.64 1.59 0.02 0.00 0.04 0.00 0.00 61.00 63.28 2jc3 s PRO 12 Cb -0.15 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.44 2jc3 s PRO 12 CO 0.30 -0.94 -0.16 -1.17 0.04 0.00 0.00 177.00 175.07 2jc3 s LEU 13 N -3.99 2.64 0.12 -3.56 2.96 -1.26 -0.98 118.68 114.62 2jc3 s LEU 13 Ca 0.72 -0.95 0.08 0.00 -0.22 0.00 0.00 54.13 53.75 2jc3 s LEU 13 Cb -0.24 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 2jc3 s LEU 13 CO 0.30 -0.09 -0.18 0.68 -1.32 0.00 0.00 176.35 175.74 2jc3 s VAL 14 N 1.23 1.63 -0.01 1.68 -7.23 -0.60 -4.91 120.40 112.19 2jc3 s VAL 14 Ca -0.01 -1.67 -0.19 0.00 -1.81 0.00 0.00 61.98 58.31 2jc3 s VAL 14 Cb -0.16 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 2jc3 s VAL 14 CO -0.09 -0.21 0.53 -0.75 -0.31 0.00 0.00 175.10 174.26 2jc3 s LYS 15 N -2.30 4.22 0.25 4.82 2.20 -1.26 -0.38 119.74 127.29 2jc3 s LYS 15 Ca 0.09 0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 56.02 2jc3 s LYS 15 Cb -0.08 -3.32 -0.09 0.00 -1.51 0.00 0.00 37.83 32.83 2jc3 s LYS 15 CO 0.05 0.44 1.19 -0.51 -0.36 0.00 0.00 175.35 176.15 2jc3 s LEU 16 N -0.36 4.48 -0.04 5.43 1.43 -0.62 -4.95 118.68 124.06 2jc3 s LEU 16 Ca 0.28 2.34 0.21 0.00 -1.03 0.00 0.00 54.13 55.93 2jc3 s LEU 16 Cb -0.18 -3.62 -0.28 0.00 0.03 0.00 0.00 46.19 42.14 2jc3 s LEU 16 CO 0.15 -0.33 0.46 0.00 0.23 0.00 0.00 176.35 176.87 2jc3 n GLN 17 N 1.73 0.66 0.00 1.70 6.02 -1.26 -4.82 117.38 121.41 2jc3 n GLN 17 Ca 0.02 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 2jc3 n GLN 17 Cb 0.44 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.13 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 -2.44 0.85 -2.11 -1.09 1.74 -1.26 -5.07 116.66 107.28 2jc3 n ARG 18 Ca -0.10 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.68 2jc3 n ARG 18 Cb 0.71 -0.83 0.01 0.00 -1.02 0.00 0.00 32.46 31.34 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 -1.65 4.67 0.00 0.55 -4.36 -1.26 -4.95 121.20 114.19 2jc3 s ILE 19 Ca 0.00 0.63 0.00 0.00 -0.26 0.00 0.00 60.65 61.02 2jc3 s ILE 19 Cb 0.00 -3.83 0.00 0.00 1.25 0.00 0.00 42.46 39.88 2jc3 s ILE 19 CO 0.00 -1.01 0.00 0.61 0.24 0.00 0.00 174.94 174.78 2jc3 n GLY 20 N -2.62 2.49 3.77 6.27 0.00 -1.26 -4.97 105.19 108.88 2jc3 n GLY 20 Ca 0.04 -1.83 -0.34 0.00 0.00 0.00 0.00 46.02 43.89 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 -3.50 3.11 -1.11 1.61 0.04 -1.26 -4.96 135.00 128.92 2jc3 s PRO 21 Ca 0.00 1.50 -0.03 0.00 0.04 0.00 0.00 61.00 62.51 2jc3 s PRO 21 Cb 0.00 -1.98 0.27 0.00 0.04 0.00 0.00 34.50 32.83 2jc3 s PRO 21 CO 0.00 -1.03 1.81 -3.47 0.04 0.00 0.00 177.00 174.35 2jc3 n ASP 22 N -1.82 6.99 -0.36 6.66 2.03 -1.26 -4.59 116.55 124.20 2jc3 n ASP 22 Ca 0.11 -3.48 0.08 0.00 0.52 0.00 0.00 54.79 52.02 2jc3 n ASP 22 Cb 0.51 -1.25 0.15 0.00 -0.72 0.00 0.00 41.12 39.81 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 0.95 1.91 0.00 1.67 2.04 -1.26 -4.96 115.26 115.60 2jc3 n ASN 23 Ca 0.42 -3.31 0.00 0.00 -0.44 0.00 0.00 54.58 51.25 2jc3 n ASN 23 Cb 0.29 -0.45 0.00 0.00 -2.53 0.00 0.00 39.78 37.09 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 -1.15 2.10 3.85 4.83 0.00 -1.26 -2.41 105.19 111.14 2jc3 n GLY 24 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2jc3 n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jc3 s SER 25 N -3.40 6.57 0.00 1.61 1.04 -1.26 -4.03 113.70 114.22 2jc3 s SER 25 Ca 0.00 1.46 0.06 0.00 0.48 0.00 0.00 55.95 57.95 2jc3 s SER 25 Cb 0.00 -2.46 -0.02 0.00 0.10 0.00 0.00 66.02 63.64 2jc3 s SER 25 CO 0.00 -0.57 -0.19 -1.61 0.98 0.00 0.00 173.24 171.85 2jc3 s GLU 26 N -4.12 1.50 -0.25 4.02 2.02 0.60 -4.88 118.70 117.60 2jc3 s GLU 26 Ca 0.57 -0.75 -0.01 0.00 0.02 0.00 0.00 54.97 54.80 2jc3 s GLU 26 Cb -0.10 -1.49 0.03 0.00 0.10 0.00 0.00 34.13 32.67 2jc3 s GLU 26 CO 0.33 0.40 -0.07 0.42 0.02 0.00 0.00 175.26 176.36 2jc3 s ILE 27 N -0.54 2.69 -0.04 -1.63 1.01 -1.26 -0.44 121.20 120.97 2jc3 s ILE 27 Ca 0.07 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 59.55 2jc3 s ILE 27 Cb -0.08 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 2jc3 s ILE 27 CO -0.00 0.15 -0.02 0.26 0.00 0.00 0.00 174.94 175.32 2jc3 s TRP 28 N 1.27 3.05 -0.08 3.97 0.52 0.14 -1.58 118.94 126.23 2jc3 s TRP 28 Ca -0.02 0.09 0.03 0.00 0.02 0.00 0.00 56.10 56.22 2jc3 s TRP 28 Cb -0.17 -1.71 -0.01 0.00 -1.15 0.00 0.00 33.47 30.42 2jc3 s TRP 28 CO -0.05 0.42 -0.18 0.14 0.02 0.00 0.00 176.95 177.30 2jc3 s VAL 29 N -0.95 2.64 -0.33 4.03 -7.23 0.48 -0.70 120.40 118.34 2jc3 s VAL 29 Ca 0.16 -0.84 -0.19 0.00 -1.81 0.00 0.00 61.98 59.29 2jc3 s VAL 29 Cb -0.11 -2.03 -0.01 0.00 0.56 0.00 0.00 36.38 34.79 2jc3 s VAL 29 CO 0.05 0.56 0.55 -0.75 -0.31 0.00 0.00 175.10 175.20 2jc3 s LYS 30 N -0.10 3.74 -1.24 4.82 2.47 -0.28 -1.55 119.74 127.60 2jc3 s LYS 30 Ca -0.04 0.01 -0.15 0.00 -1.56 0.00 0.00 55.97 54.24 2jc3 s LYS 30 Cb -0.14 -3.77 0.14 0.00 -1.46 0.00 0.00 37.83 32.60 2jc3 s LYS 30 CO 0.04 -0.60 1.55 1.28 0.16 0.00 0.00 175.35 177.78 2jc3 n LEU 31 N 5.78 5.19 0.02 5.43 4.77 -0.15 -0.84 117.00 137.20 2jc3 n LEU 31 Ca -0.04 -4.29 0.09 0.00 -0.03 0.00 0.00 56.01 51.74 2jc3 n LEU 31 Cb 0.49 -1.66 0.37 0.00 -2.33 0.00 0.00 43.42 40.29 2jc3 n LEU 31 CO 0.45 0.57 0.77 -0.62 -1.33 0.00 0.00 177.39 177.23 2jc3 n GLU 32 N 6.46 0.04 0.11 3.23 -0.58 -0.39 -1.84 120.64 127.67 2jc3 n GLU 32 Ca 0.41 0.26 0.10 0.00 -0.42 0.00 0.00 57.16 57.51 2jc3 n GLU 32 Cb 0.43 -1.57 0.46 0.00 -0.57 0.00 0.00 31.44 30.19 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 0.15 -1.12 0.10 0.62 0.00 -1.25 -2.19 105.19 101.51 2jc3 n GLY 33 Ca 0.04 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.09 0.68 -4.71 1.61 4.13 -0.77 -4.16 115.26 109.94 2jc3 n ASN 34 Ca 0.02 0.60 -0.35 0.00 1.68 0.00 0.00 54.58 56.53 2jc3 n ASN 34 Cb 0.17 -0.77 0.10 0.00 -1.54 0.00 0.00 39.78 37.74 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 -4.27 4.09 0.31 6.41 -0.87 -0.93 -4.87 114.94 114.81 2jc3 s ASN 35 Ca 0.08 2.46 0.07 0.00 -1.57 0.00 0.00 52.86 53.90 2jc3 s ASN 35 Cb 0.11 -2.60 0.83 0.00 -0.02 0.00 0.00 41.25 39.58 2jc3 s ASN 35 CO 0.50 -2.34 1.70 1.55 -2.57 0.00 0.00 177.10 175.94 2jc3 h PRO 36 N -0.24 0.41 -0.64 -0.60 0.13 -1.88 0.04 132.00 129.22 2jc3 h PRO 36 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2jc3 h PRO 36 Cb 1.31 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2jc3 h PRO 36 CO 0.49 0.27 0.00 0.00 -0.23 0.00 0.00 178.00 178.54 2jc3 n ALA 37 N -2.43 3.31 -1.03 -0.56 0.00 -1.26 -4.94 120.51 113.61 2jc3 n ALA 37 Ca 0.25 -1.52 -0.01 0.00 0.00 0.00 0.00 53.44 52.16 2jc3 n ALA 37 Cb 0.74 -1.06 -0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 0.87 0.49 3.46 0.00 0.00 0.00 -4.88 105.19 105.13 2jc3 n GLY 38 Ca 0.24 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.55 -0.22 0.54 1.61 1.04 -1.22 -3.37 113.70 109.53 2jc3 s SER 39 Ca 0.00 -0.50 0.23 0.00 0.48 0.00 0.00 55.95 56.16 2jc3 s SER 39 Cb 0.00 0.54 1.44 0.00 0.10 0.00 0.00 66.02 68.10 2jc3 s SER 39 CO 0.00 -0.99 2.11 1.62 0.98 0.00 0.00 173.24 176.95 2jc3 h VAL 40 N 2.27 0.77 -0.03 5.02 3.04 -1.19 -2.61 116.25 123.52 2jc3 h VAL 40 Ca -0.30 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.40 2jc3 h VAL 40 Cb 1.26 0.89 -0.00 0.00 -2.01 0.00 0.00 31.29 31.43 2jc3 h VAL 40 CO 0.41 0.00 0.10 0.11 -1.01 0.00 0.00 177.57 177.17 2jc3 h LYS 41 N 0.00 0.00 0.00 4.17 1.79 -1.88 -1.47 116.57 119.19 2jc3 h LYS 41 Ca 0.09 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2jc3 h LYS 41 Cb 0.38 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2jc3 h LYS 41 CO -0.00 0.00 -0.00 -0.44 -1.08 0.00 0.00 179.45 177.92 2jc3 h ASP 42 N 0.00 0.00 0.02 0.86 5.19 -1.79 -0.52 116.42 120.18 2jc3 h ASP 42 Ca 0.01 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2jc3 h ASP 42 Cb 0.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.71 2jc3 h ASP 42 CO -0.00 0.00 -0.01 0.03 -3.12 0.00 0.00 179.24 176.15 2jc3 h ARG 43 N 0.00 -0.02 -0.38 3.56 3.08 -1.51 -0.93 114.38 118.18 2jc3 h ARG 43 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 2jc3 h ARG 43 Cb 0.01 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2jc3 h ARG 43 CO 0.00 0.31 -0.36 0.00 -1.07 0.00 0.00 179.97 178.85 2jc3 h ALA 44 N 0.61 0.56 -0.35 0.04 0.00 -1.62 -1.76 119.26 116.74 2jc3 h ALA 44 Ca -0.00 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.49 2jc3 h ALA 44 Cb 0.35 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2jc3 h ALA 44 CO 0.00 0.64 0.17 0.00 0.00 0.00 0.00 179.25 180.07 2jc3 h ALA 45 N 0.77 0.43 -0.49 0.00 0.00 -1.10 0.14 119.26 119.01 2jc3 h ALA 45 Ca 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2jc3 h ALA 45 Cb 0.95 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2jc3 h ALA 45 CO 0.09 -0.20 0.21 1.25 0.00 0.00 0.00 179.25 180.60 2jc3 h LEU 46 N 0.36 0.66 0.27 0.00 5.85 -1.06 -2.76 115.31 118.63 2jc3 h LEU 46 Ca 0.15 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2jc3 h LEU 46 Cb 0.06 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.92 2jc3 h LEU 46 CO -0.10 0.63 -0.13 -1.28 -0.34 0.00 0.00 178.44 177.22 2jc3 h SER 47 N 0.65 -0.31 -0.94 1.25 0.87 -0.85 -0.20 113.55 114.02 2jc3 h SER 47 Ca 0.17 -0.10 0.14 0.00 -1.23 0.00 0.00 61.79 60.76 2jc3 h SER 47 Cb 0.17 0.08 -0.09 0.00 -0.44 0.00 0.00 62.40 62.11 2jc3 h SER 47 CO -0.02 -0.08 0.56 0.24 -0.53 0.00 0.00 176.83 177.00 2jc3 h MET 48 N -0.52 0.81 -0.01 2.24 2.86 -0.75 0.92 114.93 120.48 2jc3 h MET 48 Ca -0.04 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.48 2jc3 h MET 48 Cb 0.39 -0.18 0.01 0.00 0.06 0.00 0.00 31.60 31.87 2jc3 h MET 48 CO 0.06 0.53 -0.29 0.82 1.06 0.00 0.00 176.91 179.09 2jc3 h ILE 49 N 0.83 1.52 -0.76 -1.22 2.04 -1.40 -2.58 117.51 115.94 2jc3 h ILE 49 Ca 0.49 -1.94 0.02 0.00 1.00 0.00 0.00 64.86 64.43 2jc3 h ILE 49 Cb 0.60 2.72 -0.04 0.00 -0.74 0.00 0.00 36.82 39.36 2jc3 h ILE 49 CO -0.31 0.54 0.49 0.58 0.00 0.00 0.00 178.15 179.45 2jc3 h VAL 50 N -0.44 1.16 -0.42 1.67 2.07 -0.67 -0.86 116.25 118.76 2jc3 h VAL 50 Ca -0.03 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 2jc3 h VAL 50 Cb 1.03 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2jc3 h VAL 50 CO 0.06 0.18 -0.06 -0.33 0.02 0.00 0.00 177.57 177.43 2jc3 h GLU 51 N 0.99 0.79 -0.48 1.57 4.39 -0.92 -0.84 114.58 120.08 2jc3 h GLU 51 Ca 0.29 -0.28 0.02 0.00 0.34 0.00 0.00 59.36 59.73 2jc3 h GLU 51 Cb -0.06 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 2jc3 h GLU 51 CO -0.08 0.89 0.32 0.00 -1.16 0.00 0.00 179.01 178.98 2jc3 h ALA 52 N 0.87 1.73 -0.26 3.43 0.00 -1.11 -0.49 119.26 123.42 2jc3 h ALA 52 Ca 0.11 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2jc3 h ALA 52 Cb 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2jc3 h ALA 52 CO 0.03 0.23 -0.07 0.93 0.00 0.00 0.00 179.25 180.37 2jc3 h GLU 53 N 0.58 0.51 -0.81 0.00 5.08 -0.62 -1.50 114.58 117.82 2jc3 h GLU 53 Ca 0.19 -0.20 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 2jc3 h GLU 53 Cb 0.03 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 2jc3 h GLU 53 CO -0.04 0.73 0.53 0.87 -1.00 0.00 0.00 179.01 180.09 2jc3 h LYS 54 N 0.25 0.73 -0.09 2.33 1.57 0.21 -0.09 116.57 121.48 2jc3 h LYS 54 Ca 0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2jc3 h LYS 54 Cb 0.55 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2jc3 h LYS 54 CO 0.03 0.48 0.00 0.54 -0.57 0.00 0.00 179.45 179.93 2jc3 n ARG 55 N -4.51 1.27 -1.09 3.15 1.74 -0.33 -4.88 116.66 112.00 2jc3 n ARG 55 Ca 0.14 -0.41 -0.03 0.00 -0.77 0.00 0.00 57.85 56.77 2jc3 n ARG 55 Cb 0.32 -1.19 -0.01 0.00 -1.02 0.00 0.00 32.46 30.56 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 0.79 0.47 0.22 -0.13 0.00 -0.05 -4.86 105.19 101.64 2jc3 n GLY 56 Ca 0.09 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.26 0.00 -3.55 1.61 5.08 -1.49 -3.46 114.58 113.03 2jc3 h GLU 57 Ca -0.07 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 2jc3 h GLU 57 Cb 0.72 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.79 2jc3 h GLU 57 CO 0.10 0.05 -0.43 0.96 -1.00 0.00 0.00 179.01 178.69 2jc3 s ILE 58 N -3.30 0.10 0.03 3.13 -4.36 -1.22 -4.96 121.20 110.63 2jc3 s ILE 58 Ca 0.05 -0.85 0.02 0.00 -0.26 0.00 0.00 60.65 59.61 2jc3 s ILE 58 Cb 0.06 -0.77 -0.02 0.00 1.25 0.00 0.00 42.46 42.98 2jc3 s ILE 58 CO 0.65 -0.47 -0.07 -0.75 0.24 0.00 0.00 174.94 174.55 2jc3 s LYS 59 N -2.19 0.47 0.11 0.37 2.20 -1.26 -4.45 119.74 114.99 2jc3 s LYS 59 Ca -0.08 -0.67 -0.35 0.00 -0.36 0.00 0.00 55.97 54.50 2jc3 s LYS 59 Cb -0.03 -0.22 -0.17 0.00 -1.51 0.00 0.00 37.83 35.90 2jc3 s LYS 59 CO -0.02 0.03 1.21 -2.30 -0.36 0.00 0.00 175.35 173.91 2jc3 n PRO 60 N 1.63 0.98 0.00 4.03 -0.02 -1.26 -1.39 135.00 138.97 2jc3 n PRO 60 Ca -0.22 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2jc3 n PRO 60 Cb 0.55 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 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 2.18 1.61 3.70 -1.23 0.00 0.64 -4.99 105.19 107.10 2jc3 n GLY 61 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.64 3.36 -0.16 1.61 -0.00 -0.48 -4.44 116.67 115.92 2jc3 s ASP 62 Ca 0.00 1.60 -0.15 0.00 -0.00 0.00 0.00 52.55 54.00 2jc3 s ASP 62 Cb 0.00 -2.26 -0.04 0.00 -0.00 0.00 0.00 42.92 40.61 2jc3 s ASP 62 CO 0.00 -2.72 0.35 -0.69 -0.00 0.00 0.00 175.17 172.10 2jc3 s VAL 63 N -2.87 5.26 -0.06 -1.27 1.01 -1.26 -1.46 120.40 119.76 2jc3 s VAL 63 Ca 0.64 0.65 -0.00 0.00 0.00 0.00 0.00 61.98 63.27 2jc3 s VAL 63 Cb -0.19 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 2jc3 s VAL 63 CO 0.57 0.35 -0.02 -0.76 0.00 0.00 0.00 175.10 175.24 2jc3 s LEU 64 N 0.69 3.45 0.08 3.92 1.02 0.61 -1.76 118.68 126.69 2jc3 s LEU 64 Ca 0.19 0.06 0.07 0.00 0.02 0.00 0.00 54.13 54.47 2jc3 s LEU 64 Cb -0.14 -1.83 -0.03 0.00 0.02 0.00 0.00 46.19 44.21 2jc3 s LEU 64 CO 0.06 0.35 -0.19 -0.63 0.02 0.00 0.00 176.35 175.96 2jc3 s ILE 65 N -0.92 1.54 -0.29 -0.59 1.01 0.18 -0.44 121.20 121.69 2jc3 s ILE 65 Ca 0.15 -1.38 -0.22 0.00 0.00 0.00 0.00 60.65 59.20 2jc3 s ILE 65 Cb -0.11 -1.40 0.16 0.00 0.01 0.00 0.00 42.46 41.12 2jc3 s ILE 65 CO 0.04 -0.03 1.15 -0.70 0.00 0.00 0.00 174.94 175.41 2jc3 s GLU 66 N -1.65 0.30 -0.29 2.79 2.56 -1.02 -2.10 118.70 119.30 2jc3 s GLU 66 Ca 0.05 0.41 -0.16 0.00 0.00 0.00 0.00 54.97 55.27 2jc3 s GLU 66 Cb -0.10 0.12 -0.03 0.00 2.00 0.00 0.00 34.13 36.13 2jc3 s GLU 66 CO 0.03 -0.05 0.43 0.00 -0.56 0.00 0.00 175.26 175.12 2jc3 s ALA 67 N 0.53 3.54 0.00 6.30 0.00 -1.26 -1.77 121.76 129.11 2jc3 s ALA 67 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.11 2jc3 s ALA 67 Cb -0.04 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.25 2jc3 s ALA 67 CO -0.11 -0.84 0.00 -2.37 0.00 0.00 0.00 175.76 172.44 2jc3 n THR 68 N 5.20 0.00 -2.07 0.00 5.66 -0.34 -4.90 114.28 117.83 2jc3 n THR 68 Ca -0.07 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.92 2jc3 n THR 68 Cb 0.50 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.26 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 -0.17 0.00 1.09 3.41 -1.26 -4.39 113.62 112.30 2jc3 n SER 69 Ca 0.00 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.99 2jc3 n SER 69 Cb 0.00 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 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 0.07 5.19 0.36 5.00 0.00 -1.26 -4.86 105.19 109.69 2jc3 n GLY 70 Ca -0.08 -1.49 0.15 0.00 0.00 0.00 0.00 46.02 44.60 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 0.25 -0.39 1.61 2.35 -1.99 -0.92 115.58 116.49 2jc3 h ASN 71 Ca 0.00 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 2jc3 h ASN 71 Cb 0.00 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2jc3 h ASN 71 CO 0.00 0.14 0.03 0.74 -1.65 0.00 0.00 177.43 176.69 2jc3 h THR 72 N 0.27 1.25 -0.52 2.81 2.02 -1.93 0.82 112.91 117.63 2jc3 h THR 72 Ca 0.27 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 2jc3 h THR 72 Cb 0.71 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 2jc3 h THR 72 CO -0.06 0.32 0.27 1.23 0.37 0.00 0.00 175.52 177.65 2jc3 h GLY 73 N 0.50 0.78 0.97 2.16 0.00 -1.50 0.04 103.07 106.02 2jc3 h GLY 73 Ca 0.11 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 2jc3 h GLY 73 CO 0.01 0.35 -0.04 -2.22 0.00 0.00 0.00 176.54 174.65 2jc3 h ILE 74 N 0.69 0.94 -0.67 2.60 2.04 -1.09 0.43 117.51 122.44 2jc3 h ILE 74 Ca 0.18 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.99 2jc3 h ILE 74 Cb 0.08 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 2jc3 h ILE 74 CO -0.03 0.02 0.42 0.00 0.00 0.00 0.00 178.15 178.56 2jc3 h ALA 75 N 0.77 0.87 -0.38 1.87 0.00 -0.69 0.07 119.26 121.76 2jc3 h ALA 75 Ca -0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2jc3 h ALA 75 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2jc3 h ALA 75 CO 0.02 0.19 -0.07 -0.07 0.00 0.00 0.00 179.25 179.32 2jc3 h LEU 76 N 0.83 0.72 -0.73 0.00 3.38 -0.84 -0.07 115.31 118.60 2jc3 h LEU 76 Ca 0.26 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.93 2jc3 h LEU 76 Cb 0.00 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 2jc3 h LEU 76 CO -0.10 0.91 0.44 0.00 0.09 0.00 0.00 178.44 179.78 2jc3 h ALA 77 N 0.84 0.98 0.05 1.53 0.00 -0.51 0.10 119.26 122.24 2jc3 h ALA 77 Ca 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2jc3 h ALA 77 Cb 0.58 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2jc3 h ALA 77 CO 0.03 0.18 -0.02 1.98 0.00 0.00 0.00 179.25 181.42 2jc3 h MET 78 N 0.83 -0.06 -0.84 0.00 1.85 -0.73 -1.27 114.93 114.71 2jc3 h MET 78 Ca 0.31 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.39 2jc3 h MET 78 Cb 0.11 0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.11 2jc3 h MET 78 CO -0.15 0.15 0.46 0.82 -0.40 0.00 0.00 176.91 177.79 2jc3 h ILE 79 N -0.27 1.25 -0.32 1.77 1.08 -0.74 0.27 117.51 120.55 2jc3 h ILE 79 Ca -0.01 -0.61 0.01 0.00 -0.39 0.00 0.00 64.86 63.86 2jc3 h ILE 79 Cb 0.24 0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.08 2jc3 h ILE 79 CO 0.01 0.28 0.19 0.00 -0.69 0.00 0.00 178.15 177.94 2jc3 h ALA 80 N 1.33 0.40 -0.34 1.87 0.00 -0.63 0.27 119.26 122.16 2jc3 h ALA 80 Ca 0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2jc3 h ALA 80 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2jc3 h ALA 80 CO -0.05 -0.17 0.13 0.00 0.00 0.00 0.00 179.25 179.16 2jc3 h ALA 81 N 1.14 0.44 -0.53 0.00 0.00 -0.76 0.34 119.26 119.89 2jc3 h ALA 81 Ca 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2jc3 h ALA 81 Cb -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2jc3 h ALA 81 CO -0.06 0.05 0.29 1.25 0.00 0.00 0.00 179.25 180.79 2jc3 h LEU 82 N 0.40 0.66 -0.53 0.00 5.85 -0.11 -3.27 115.31 118.32 2jc3 h LEU 82 Ca 0.11 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2jc3 h LEU 82 Cb 0.20 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2jc3 h LEU 82 CO -0.01 0.56 -0.61 0.29 -0.34 0.00 0.00 178.44 178.33 2jc3 n LYS 83 N -4.63 0.67 -0.70 1.25 5.02 0.92 -5.01 118.16 115.68 2jc3 n LYS 83 Ca 0.03 -0.53 0.00 0.00 -2.02 0.00 0.00 58.31 55.79 2jc3 n LYS 83 Cb 0.09 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 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 1.44 0.99 3.50 0.72 0.00 0.96 -4.82 105.19 107.97 2jc3 n GLY 84 Ca 0.08 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.28 2.39 -0.23 1.61 2.02 0.13 -0.26 117.35 120.73 2jc3 s TYR 85 Ca 0.00 -0.31 -0.15 0.00 -0.37 0.00 0.00 57.07 56.24 2jc3 s TYR 85 Cb 0.00 -1.08 -0.04 0.00 -0.40 0.00 0.00 41.96 40.44 2jc3 s TYR 85 CO 0.00 0.63 0.37 1.03 -1.57 0.00 0.00 175.55 176.01 2jc3 s ARG 86 N -3.28 4.11 -0.20 -0.62 0.52 -0.53 -4.42 118.95 114.53 2jc3 s ARG 86 Ca 0.28 0.10 -0.07 0.00 -0.52 0.00 0.00 55.73 55.52 2jc3 s ARG 86 Cb -0.06 -3.58 -0.04 0.00 0.52 0.00 0.00 34.95 31.79 2jc3 s ARG 86 CO 0.15 -0.11 0.06 1.41 0.02 0.00 0.00 175.30 176.83 2jc3 s MET 87 N 1.54 3.88 -0.15 3.54 1.75 -1.26 -0.28 119.30 128.31 2jc3 s MET 87 Ca 0.17 -0.39 -0.00 0.00 -1.25 0.00 0.00 55.69 54.22 2jc3 s MET 87 Cb -0.15 -3.23 -0.00 0.00 2.84 0.00 0.00 34.83 34.29 2jc3 s MET 87 CO 0.08 0.16 -0.14 0.15 -0.65 0.00 0.00 175.02 174.62 2jc3 s LYS 88 N 0.67 3.26 -0.10 4.11 1.02 0.41 -0.74 119.74 128.38 2jc3 s LYS 88 Ca 0.03 -0.73 0.03 0.00 0.02 0.00 0.00 55.97 55.33 2jc3 s LYS 88 Cb -0.13 -2.65 -0.00 0.00 -0.52 0.00 0.00 37.83 34.52 2jc3 s LYS 88 CO 0.02 0.04 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.75 2jc3 s LEU 89 N 0.77 2.18 -0.08 3.17 1.43 -0.33 -2.43 118.68 123.38 2jc3 s LEU 89 Ca -0.06 -0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 52.49 2jc3 s LEU 89 Cb -0.15 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 2jc3 s LEU 89 CO 0.01 0.16 0.01 -0.76 0.23 0.00 0.00 176.35 176.00 2jc3 s LEU 90 N 0.34 3.64 0.02 1.79 1.02 -0.73 -0.76 118.68 124.01 2jc3 s LEU 90 Ca -0.18 0.16 -0.28 0.00 0.02 0.00 0.00 54.13 53.85 2jc3 s LEU 90 Cb -0.18 -1.85 0.10 0.00 0.02 0.00 0.00 46.19 44.28 2jc3 s LEU 90 CO 0.08 0.38 0.86 0.00 0.02 0.00 0.00 176.35 177.69 2jc3 s MET 91 N -0.93 0.88 0.55 1.70 0.23 -0.92 -1.20 119.30 119.61 2jc3 s MET 91 Ca 0.14 -0.34 -0.19 0.00 -1.03 0.00 0.00 55.69 54.27 2jc3 s MET 91 Cb -0.11 0.40 -0.05 0.00 -1.53 0.00 0.00 34.83 33.53 2jc3 s MET 91 CO 0.03 -0.39 1.14 -1.25 -2.03 0.00 0.00 175.02 172.52 2jc3 s PRO 92 N -3.19 3.30 0.00 3.16 0.04 -1.26 -1.04 135.00 136.01 2jc3 s PRO 92 Ca 0.05 1.63 0.07 0.00 0.04 0.00 0.00 61.00 62.79 2jc3 s PRO 92 Cb -0.01 -2.00 0.37 0.00 0.04 0.00 0.00 34.50 32.90 2jc3 s PRO 92 CO -0.09 -0.89 0.95 -0.40 0.04 0.00 0.00 177.00 176.60 2jc3 n ASP 93 N -1.36 0.00 -1.35 6.66 3.85 0.46 -3.10 116.55 121.72 2jc3 n ASP 93 Ca 0.12 -0.04 0.07 0.00 -0.71 0.00 0.00 54.79 54.23 2jc3 n ASP 93 Cb 0.51 -0.12 0.29 0.00 -1.35 0.00 0.00 41.12 40.44 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 -1.12 3.96 -4.79 -1.12 0.23 -1.26 -4.94 115.26 106.22 2jc3 n ASN 94 Ca 0.04 -2.42 -0.34 0.00 -0.53 0.00 0.00 54.58 51.33 2jc3 n ASN 94 Cb 0.04 -0.53 -0.02 0.00 -2.08 0.00 0.00 39.78 37.18 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 -1.89 3.59 0.94 -3.83 1.75 -1.18 -5.01 119.30 113.68 2jc3 s MET 95 Ca 0.40 1.44 -0.11 0.00 -1.25 0.00 0.00 55.69 56.17 2jc3 s MET 95 Cb 0.27 -2.06 0.16 0.00 2.84 0.00 0.00 34.83 36.04 2jc3 s MET 95 CO 0.18 -0.62 1.09 -1.54 -0.65 0.00 0.00 175.02 173.47 2jc3 s SER 96 N -1.97 2.97 0.07 1.11 1.04 -1.26 -4.88 113.70 110.78 2jc3 s SER 96 Ca 0.69 1.60 -0.25 0.00 0.48 0.00 0.00 55.95 58.47 2jc3 s SER 96 Cb -0.19 -2.26 -0.16 0.00 0.10 0.00 0.00 66.02 63.51 2jc3 s SER 96 CO 0.24 -2.97 1.66 1.56 0.98 0.00 0.00 173.24 174.71 2jc3 h GLN 97 N -1.78 -0.14 -0.65 4.02 1.08 -2.00 -2.51 115.11 113.14 2jc3 h GLN 97 Ca -0.51 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 56.64 2jc3 h GLN 97 Cb 1.29 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.72 2jc3 h GLN 97 CO 0.52 -0.04 0.17 0.93 -0.95 0.00 0.00 178.83 179.45 2jc3 h GLU 98 N -0.20 1.01 -0.77 1.46 5.08 -1.99 -1.53 114.58 117.64 2jc3 h GLU 98 Ca -0.01 -0.22 0.04 0.00 -1.00 0.00 0.00 59.36 58.16 2jc3 h GLU 98 Cb 0.16 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 2jc3 h GLU 98 CO 0.02 0.89 0.48 -0.09 -1.00 0.00 0.00 179.01 179.32 2jc3 h ARG 99 N 0.97 0.90 -0.10 2.33 2.43 -1.90 -1.81 114.38 117.20 2jc3 h ARG 99 Ca 0.21 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 59.14 2jc3 h ARG 99 Cb 0.33 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2jc3 h ARG 99 CO -0.00 0.60 -0.69 0.00 -1.51 0.00 0.00 179.97 178.36 2jc3 h ARG 100 N 0.93 0.43 -0.53 0.20 3.08 -1.19 -3.21 114.38 114.09 2jc3 h ARG 100 Ca 0.32 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2jc3 h ARG 100 Cb 0.06 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 2jc3 h ARG 100 CO -0.13 0.96 0.29 0.00 -1.07 0.00 0.00 179.97 180.03 2jc3 h ALA 101 N 0.95 1.52 -0.49 0.04 0.00 -0.62 0.23 119.26 120.89 2jc3 h ALA 101 Ca -0.02 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2jc3 h ALA 101 Cb 1.26 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2jc3 h ALA 101 CO 0.12 0.40 0.33 0.00 0.00 0.00 0.00 179.25 180.10 2jc3 h ALA 102 N 1.59 1.68 0.12 0.00 0.00 -1.35 0.13 119.26 121.42 2jc3 h ALA 102 Ca 0.19 -0.03 -0.36 0.00 0.00 0.00 0.00 54.91 54.71 2jc3 h ALA 102 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2jc3 h ALA 102 CO -0.03 0.29 -1.93 0.52 0.00 0.00 0.00 179.25 178.10 2jc3 h MET 103 N 0.64 0.26 -0.81 0.00 2.86 -1.44 -3.36 114.93 113.08 2jc3 h MET 103 Ca 0.19 -0.44 0.04 0.00 -2.06 0.00 0.00 59.70 57.42 2jc3 h MET 103 Cb -0.04 0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 2jc3 h MET 103 CO -0.04 1.21 0.53 -0.09 1.06 0.00 0.00 176.91 179.58 2jc3 h ARG 104 N -0.00 0.97 -1.11 1.72 2.43 -0.34 -2.43 114.38 115.61 2jc3 h ARG 104 Ca -0.41 -0.06 0.31 0.00 -0.81 0.00 0.00 59.98 59.01 2jc3 h ARG 104 Cb 1.99 -0.22 -0.10 0.00 -0.42 0.00 0.00 29.97 31.22 2jc3 h ARG 104 CO 0.07 0.64 0.73 0.00 -1.51 0.00 0.00 179.97 179.90 2jc3 h ALA 105 N 1.53 2.43 -0.01 2.80 0.00 -0.89 0.74 119.26 125.86 2jc3 h ALA 105 Ca 0.32 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2jc3 h ALA 105 Cb 0.05 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2jc3 h ALA 105 CO -0.10 -0.87 -0.00 0.66 0.00 0.00 0.00 179.25 178.94 2jc3 n TYR 106 N -4.60 0.00 -0.37 0.00 4.02 -0.92 -4.89 117.16 110.39 2jc3 n TYR 106 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.17 2jc3 n TYR 106 Cb 1.03 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.35 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 1.09 0.77 3.77 2.72 0.00 0.26 -4.62 105.19 109.17 2jc3 n GLY 107 Ca 0.21 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 3.26 -0.15 4.61 0.00 -1.22 -4.75 121.76 121.52 2jc3 s ALA 108 Ca 0.00 0.58 -0.22 0.00 0.00 0.00 0.00 51.96 52.32 2jc3 s ALA 108 Cb 0.00 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 2jc3 s ALA 108 CO 0.00 0.17 0.65 -1.21 0.00 0.00 0.00 175.76 175.37 2jc3 s GLU 109 N -1.72 4.30 -0.18 0.00 2.02 0.08 -4.55 118.70 118.65 2jc3 s GLU 109 Ca 0.47 0.70 -0.09 0.00 0.02 0.00 0.00 54.97 56.07 2jc3 s GLU 109 Cb -0.22 -3.52 -0.05 0.00 0.10 0.00 0.00 34.13 30.44 2jc3 s GLU 109 CO 0.27 -0.11 0.12 -0.51 0.02 0.00 0.00 175.26 175.05 2jc3 s LEU 110 N 1.44 4.15 -0.19 1.80 1.43 -1.26 -1.19 118.68 124.86 2jc3 s LEU 110 Ca 0.32 0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.63 2jc3 s LEU 110 Cb -0.16 -2.06 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 2jc3 s LEU 110 CO 0.13 0.21 -0.10 -0.63 0.23 0.00 0.00 176.35 176.18 2jc3 s ILE 111 N 0.17 2.93 -0.19 -0.59 1.01 0.06 -4.95 121.20 119.64 2jc3 s ILE 111 Ca 0.08 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 2jc3 s ILE 111 Cb -0.11 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 2jc3 s ILE 111 CO -0.01 0.47 0.09 -0.76 0.00 0.00 0.00 174.94 174.74 2jc3 s LEU 112 N 1.24 3.96 0.43 2.97 1.43 -1.26 -2.17 118.68 125.28 2jc3 s LEU 112 Ca 0.03 0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.34 2jc3 s LEU 112 Cb -0.14 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.07 2jc3 s LEU 112 CO -0.05 0.17 0.52 0.68 0.23 0.00 0.00 176.35 177.91 2jc3 s VAL 113 N 0.42 2.80 0.76 -1.59 -7.23 -0.21 -4.82 120.40 110.54 2jc3 s VAL 113 Ca 0.05 -1.12 -0.11 0.00 -1.81 0.00 0.00 61.98 59.00 2jc3 s VAL 113 Cb -0.12 -2.92 0.05 0.00 0.56 0.00 0.00 36.38 33.95 2jc3 s VAL 113 CO -0.00 0.00 1.09 0.42 -0.31 0.00 0.00 175.10 176.29 2jc3 s THR 114 N -2.42 3.42 0.31 5.32 -4.23 -1.26 -0.40 115.64 116.37 2jc3 s THR 114 Ca 0.53 0.47 -0.01 0.00 -1.18 0.00 0.00 61.69 61.49 2jc3 s THR 114 Cb -0.07 -2.99 0.26 0.00 1.34 0.00 0.00 72.50 71.05 2jc3 s THR 114 CO 0.32 -0.60 1.97 0.50 -0.54 0.00 0.00 174.62 176.27 2jc3 h LYS 115 N -1.04 1.05 -0.04 3.99 3.64 -1.95 -1.57 116.57 120.65 2jc3 h LYS 115 Ca -0.44 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2jc3 h LYS 115 Cb 1.23 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2jc3 h LYS 115 CO 0.52 0.69 0.02 0.93 -2.27 0.00 0.00 179.45 179.34 2jc3 h GLU 116 N 1.08 0.06 -0.01 1.90 3.07 -2.02 -1.85 114.58 116.80 2jc3 h GLU 116 Ca 0.30 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 2jc3 h GLU 116 Cb -0.09 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 27.81 2jc3 h GLU 116 CO -0.07 0.14 0.01 1.96 -1.40 0.00 0.00 179.01 179.64 2jc3 h GLN 117 N -0.04 0.00 0.00 2.33 4.20 -1.77 -3.48 115.11 116.35 2jc3 h GLN 117 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2jc3 h GLN 117 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2jc3 h GLN 117 CO -0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 2jc3 n GLY 118 N -1.43 -0.25 0.32 3.46 0.00 -0.64 0.30 105.19 106.95 2jc3 n GLY 118 Ca -0.03 -0.61 0.06 0.00 0.00 0.00 0.00 46.02 45.45 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 0.51 -0.29 1.61 2.86 -1.90 -1.77 114.93 115.96 2jc3 h MET 119 Ca 0.00 -0.03 -0.17 0.00 -2.06 0.00 0.00 59.70 57.44 2jc3 h MET 119 Cb 0.00 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.54 2jc3 h MET 119 CO 0.00 0.34 -0.47 1.49 1.06 0.00 0.00 176.91 179.32 2jc3 h GLU 120 N 0.52 0.83 -0.78 1.72 4.57 -1.97 -1.50 114.58 117.97 2jc3 h GLU 120 Ca 0.19 -0.51 0.02 0.00 -1.18 0.00 0.00 59.36 57.88 2jc3 h GLU 120 Cb 0.11 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 2jc3 h GLU 120 CO -0.05 1.14 0.51 0.78 -1.18 0.00 0.00 179.01 180.22 2jc3 h GLY 121 N 0.60 1.11 0.95 1.92 0.00 0.46 -1.31 103.07 106.80 2jc3 h GLY 121 Ca 0.02 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 46.97 2jc3 h GLY 121 CO 0.11 0.37 0.29 0.00 0.00 0.00 0.00 176.54 177.31 2jc3 h ALA 122 N 1.30 0.59 -0.54 3.60 0.00 -1.14 0.12 119.26 123.19 2jc3 h ALA 122 Ca 0.30 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.25 2jc3 h ALA 122 Cb -0.07 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 2jc3 h ALA 122 CO -0.08 0.00 0.24 0.00 0.00 0.00 0.00 179.25 179.41 2jc3 h ARG 123 N 0.59 0.44 0.37 0.00 2.47 -0.57 0.16 114.38 117.84 2jc3 h ARG 123 Ca 0.18 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.85 2jc3 h ARG 123 Cb -0.03 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.20 2jc3 h ARG 123 CO -0.06 0.29 -0.18 -0.44 0.56 0.00 0.00 179.97 180.15 2jc3 h ASP 124 N 0.46 -0.42 0.05 7.04 3.45 -0.61 -1.82 116.42 124.57 2jc3 h ASP 124 Ca 0.25 -0.05 -0.01 0.00 0.43 0.00 0.00 57.03 57.65 2jc3 h ASP 124 Cb 0.22 0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 39.10 2jc3 h ASP 124 CO -0.21 -0.22 -0.04 -0.07 -1.57 0.00 0.00 179.24 177.13 2jc3 h LEU 125 N -0.59 0.00 -0.23 1.55 3.38 -0.57 0.14 115.31 118.99 2jc3 h LEU 125 Ca -0.05 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 2jc3 h LEU 125 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2jc3 h LEU 125 CO 0.08 0.04 -0.40 0.00 0.09 0.00 0.00 178.44 178.26 2jc3 h ALA 126 N 1.96 0.35 -0.68 1.53 0.00 -0.78 -2.05 119.26 119.60 2jc3 h ALA 126 Ca -0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2jc3 h ALA 126 Cb 0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2jc3 h ALA 126 CO 0.01 0.45 0.37 1.25 0.00 0.00 0.00 179.25 181.33 2jc3 h LEU 127 N 0.38 0.85 -0.37 0.00 5.85 -0.28 -2.15 115.31 119.59 2jc3 h LEU 127 Ca 0.01 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.70 2jc3 h LEU 127 Cb 0.99 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 2jc3 h LEU 127 CO 0.09 0.71 0.02 0.00 -0.34 0.00 0.00 178.44 178.92 2jc3 h ALA 128 N 1.18 0.36 -0.64 1.25 0.00 -0.65 -1.61 119.26 119.15 2jc3 h ALA 128 Ca 0.24 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.30 2jc3 h ALA 128 Cb 0.05 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2jc3 h ALA 128 CO -0.04 -0.38 0.35 0.52 0.00 0.00 0.00 179.25 179.71 2jc3 h MET 129 N 0.13 0.64 -0.21 0.00 2.86 -0.83 -0.98 114.93 116.54 2jc3 h MET 129 Ca 0.18 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.69 2jc3 h MET 129 Cb 0.25 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2jc3 h MET 129 CO -0.29 0.42 -0.28 0.66 1.06 0.00 0.00 176.91 178.48 2jc3 h SER 130 N 0.66 0.41 0.07 1.22 4.64 -0.85 0.18 113.55 119.88 2jc3 h SER 130 Ca 0.28 -0.14 -0.13 0.00 -0.47 0.00 0.00 61.79 61.33 2jc3 h SER 130 Cb 0.16 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2jc3 h SER 130 CO -0.17 0.68 -0.43 -0.33 -0.87 0.00 0.00 176.83 175.71 2jc3 h GLU 131 N 0.36 0.44 0.00 4.77 5.08 -0.57 -0.39 114.58 124.26 2jc3 h GLU 131 Ca 0.05 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2jc3 h GLU 131 Cb 0.68 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2jc3 h GLU 131 CO 0.05 0.79 0.00 0.54 -1.00 0.00 0.00 179.01 179.39 2jc3 n ARG 132 N -4.01 0.63 -1.18 2.33 1.74 -0.44 -4.84 116.66 110.88 2jc3 n ARG 132 Ca -0.02 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.00 2jc3 n ARG 132 Cb 0.52 -1.35 -0.03 0.00 -1.02 0.00 0.00 32.46 30.58 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 0.22 0.84 0.13 -0.13 0.00 -0.16 -4.93 105.19 101.16 2jc3 n GLY 133 Ca 0.11 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.68 2jc3 n GLY 133 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jc3 h GLU 134 N 0.12 0.00 0.00 1.61 5.08 -1.12 -3.48 114.58 116.79 2jc3 h GLU 134 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2jc3 h GLU 134 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2jc3 h GLU 134 CO 0.18 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.60 2jc3 n GLY 135 N 0.49 2.70 3.64 -3.84 0.00 -1.26 -4.74 105.19 102.18 2jc3 n GLY 135 Ca 0.03 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 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 4.00 0.13 1.61 2.47 -0.72 -4.25 119.74 120.98 2jc3 s LYS 136 Ca 0.00 1.57 -0.29 0.00 -1.56 0.00 0.00 55.97 55.69 2jc3 s LYS 136 Cb 0.00 -3.90 -0.07 0.00 -1.46 0.00 0.00 37.83 32.40 2jc3 s LYS 136 CO 0.00 -1.03 0.91 -1.17 0.16 0.00 0.00 175.35 174.22 2jc3 s LEU 137 N 4.32 4.53 -0.09 5.43 2.96 -1.26 -0.64 118.68 133.93 2jc3 s LEU 137 Ca 0.62 1.75 0.05 0.00 -0.22 0.00 0.00 54.13 56.33 2jc3 s LEU 137 Cb -0.22 -3.50 -0.24 0.00 0.50 0.00 0.00 46.19 42.72 2jc3 s LEU 137 CO 0.23 0.02 0.49 0.18 -1.32 0.00 0.00 176.35 175.94 2jc3 n LEU 138 N 2.43 1.60 -3.34 -0.68 4.77 -0.89 -4.93 117.00 115.95 2jc3 n LEU 138 Ca -0.00 0.29 -0.23 0.00 -0.03 0.00 0.00 56.01 56.04 2jc3 n LEU 138 Cb 0.49 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 2jc3 n LEU 138 CO 0.50 0.60 -0.10 -0.67 -1.33 0.00 0.00 177.39 176.38 2jc3 n ASP 139 N -3.21 -6.30 0.12 -1.43 4.64 -1.26 -4.47 116.55 104.64 2jc3 n ASP 139 Ca -0.25 -0.14 0.16 0.00 -1.38 0.00 0.00 54.79 53.18 2jc3 n ASP 139 Cb 1.05 -3.10 0.69 0.00 -1.04 0.00 0.00 41.12 38.73 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 1.35 0.00 0.00 -0.67 3.07 -1.95 -0.33 115.11 116.58 2jc3 h GLN 140 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.38 2jc3 h GLN 140 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.81 2jc3 h GLN 140 CO 0.26 0.00 0.00 0.74 0.09 0.00 0.00 178.83 179.92 2jc3 h PHE 141 N 0.00 0.00 0.00 0.06 0.04 -1.91 -3.35 116.94 111.78 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 0.61 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.76 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 -2.67 0.43 -4.65 2.17 3.02 -0.92 -2.43 115.26 110.21 2jc3 n ASN 142 Ca 0.04 -0.82 -0.43 0.00 -0.03 0.00 0.00 54.58 53.34 2jc3 n ASN 142 Cb 0.45 0.14 -0.02 0.00 -0.61 0.00 0.00 39.78 39.74 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 -0.14 6.99 0.64 6.41 3.84 -0.18 -4.66 114.94 127.84 2jc3 s ASN 143 Ca 0.00 1.19 0.41 0.00 0.21 0.00 0.00 52.86 54.67 2jc3 s ASN 143 Cb 0.00 -2.53 2.21 0.00 -0.55 0.00 0.00 41.25 40.37 2jc3 s ASN 143 CO 0.00 -0.76 2.30 -0.65 -2.79 0.00 0.00 177.10 175.21 2jc3 h PRO 144 N 7.78 0.00 0.00 0.43 0.11 -1.93 -1.89 132.00 136.50 2jc3 h PRO 144 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2jc3 h PRO 144 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2jc3 h PRO 144 CO 1.00 0.01 0.00 -0.44 -0.21 0.00 0.00 178.00 178.35 2jc3 h ASP 145 N 0.00 0.00 0.39 -2.05 3.45 -1.94 -2.28 116.42 113.98 2jc3 h ASP 145 Ca -0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 2jc3 h ASP 145 Cb 0.08 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 2jc3 h ASP 145 CO 0.00 0.00 -0.18 -1.13 -1.57 0.00 0.00 179.24 176.36 2jc3 h ASN 146 N 0.00 -0.44 0.06 6.45 -0.73 -1.63 -2.82 115.58 116.48 2jc3 h ASN 146 Ca 0.00 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 2jc3 h ASN 146 Cb 0.50 0.11 -0.00 0.00 0.27 0.00 0.00 38.32 39.20 2jc3 h ASN 146 CO 0.00 -0.23 -0.06 1.55 -0.37 0.00 0.00 177.43 178.32 2jc3 h PRO 147 N -0.68 0.00 -0.75 6.67 0.13 -1.71 -2.20 132.00 133.47 2jc3 h PRO 147 Ca -0.05 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.19 2jc3 h PRO 147 Cb 0.40 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.48 2jc3 h PRO 147 CO 0.09 0.06 0.49 -0.92 -0.23 0.00 0.00 178.00 177.49 2jc3 h TYR 148 N 0.00 0.62 -0.29 1.56 3.20 -1.38 -0.49 116.97 120.20 2jc3 h TYR 148 Ca -0.00 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2jc3 h TYR 148 Cb 0.11 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 2jc3 h TYR 148 CO 0.00 0.27 0.17 0.00 -1.64 0.00 0.00 178.16 176.95 2jc3 h ALA 149 N 1.64 0.36 0.00 1.82 0.00 -1.13 -2.01 119.26 119.94 2jc3 h ALA 149 Ca 0.36 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 2jc3 h ALA 149 Cb 0.62 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2jc3 h ALA 149 CO -0.13 -0.12 -0.35 0.45 0.00 0.00 0.00 179.25 179.10 2jc3 h HIS 150 N 0.36 0.00 -0.14 0.00 3.86 -1.34 -0.14 115.15 117.74 2jc3 h HIS 150 Ca 0.10 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.18 2jc3 h HIS 150 Cb 0.03 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 2jc3 h HIS 150 CO -0.04 0.35 -0.50 -0.92 0.86 0.00 0.00 177.93 177.68 2jc3 h TYR 151 N 0.00 0.46 0.00 2.45 3.20 -0.83 0.30 116.97 122.55 2jc3 h TYR 151 Ca -0.00 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.71 2jc3 h TYR 151 Cb 0.78 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.96 2jc3 h TYR 151 CO 0.00 0.80 -1.40 0.25 -1.64 0.00 0.00 178.16 176.17 2jc3 n THR 152 N -3.96 0.09 0.05 1.81 -2.24 -0.78 -4.43 114.28 104.81 2jc3 n THR 152 Ca -0.02 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 2jc3 n THR 152 Cb 0.56 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 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 -2.01 0.41 -0.09 4.28 -2.24 -0.09 -4.69 114.28 109.85 2jc3 n THR 153 Ca -0.00 0.14 -0.06 0.00 -2.27 0.00 0.00 64.05 61.86 2jc3 n THR 153 Cb 0.47 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 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 0.64 0.70 4.28 2.02 -1.65 0.13 112.91 119.03 2jc3 h THR 154 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 2jc3 h THR 154 Cb 0.00 0.64 0.01 0.00 -1.74 0.00 0.00 68.15 67.05 2jc3 h THR 154 CO 0.00 0.00 -0.34 1.23 0.37 0.00 0.00 175.52 176.78 2jc3 h GLY 155 N -0.02 -0.99 0.41 2.16 0.00 -0.67 -1.48 103.07 102.49 2jc3 h GLY 155 Ca 0.16 0.37 0.12 0.00 0.00 0.00 0.00 47.33 47.98 2jc3 h GLY 155 CO -0.35 -0.36 0.55 -2.55 0.00 0.00 0.00 176.54 173.83 2jc3 h PRO 156 N -1.00 0.83 0.32 4.80 0.11 -1.73 -1.21 132.00 134.11 2jc3 h PRO 156 Ca -0.10 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.95 2jc3 h PRO 156 Cb 0.74 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2jc3 h PRO 156 CO 0.16 0.55 -0.15 0.93 -0.21 0.00 0.00 178.00 179.27 2jc3 h GLU 157 N 0.85 -0.41 -0.59 1.05 5.08 -0.58 -1.37 114.58 118.61 2jc3 h GLU 157 Ca 0.47 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.94 2jc3 h GLU 157 Cb 0.52 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.80 2jc3 h GLU 157 CO -0.29 -0.26 0.25 0.82 -1.00 0.00 0.00 179.01 178.53 2jc3 h ILE 158 N -0.46 0.82 -0.22 3.13 2.04 -0.81 0.33 117.51 122.33 2jc3 h ILE 158 Ca -0.04 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.69 2jc3 h ILE 158 Cb 0.35 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2jc3 h ILE 158 CO 0.07 0.08 0.07 -0.25 0.00 0.00 0.00 178.15 178.12 2jc3 h TRP 159 N 0.45 0.12 -0.54 1.37 2.91 -1.04 -0.45 115.95 118.77 2jc3 h TRP 159 Ca 0.29 0.01 -0.12 0.00 1.13 0.00 0.00 58.89 60.20 2jc3 h TRP 159 Cb 0.32 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 28.93 2jc3 h TRP 159 CO -0.15 0.06 -0.13 -0.09 -1.03 0.00 0.00 178.44 177.10 2jc3 h ARG 160 N 0.17 1.03 -0.30 2.65 2.43 -0.65 -1.00 114.38 118.72 2jc3 h ARG 160 Ca 0.10 -0.39 -0.10 0.00 -0.81 0.00 0.00 59.98 58.77 2jc3 h ARG 160 Cb 0.07 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2jc3 h ARG 160 CO -0.11 1.09 -0.23 1.96 -1.51 0.00 0.00 179.97 181.17 2jc3 h GLN 161 N 0.91 0.56 -0.52 0.20 4.20 -0.03 -1.87 115.11 118.57 2jc3 h GLN 161 Ca 0.14 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2jc3 h GLN 161 Cb 0.70 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2jc3 h GLN 161 CO 0.05 0.76 0.00 0.25 -0.67 0.00 0.00 178.83 179.22 2jc3 n THR 162 N -4.12 0.85 -3.87 -0.54 -2.24 -0.21 -4.90 114.28 99.25 2jc3 n THR 162 Ca -0.00 -0.65 -0.30 0.00 -2.27 0.00 0.00 64.05 60.83 2jc3 n THR 162 Cb 0.41 0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 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 0.67 -2.58 0.00 3.42 7.64 -0.71 0.53 113.62 122.60 2jc3 n SER 163 Ca 0.15 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.31 2jc3 n SER 163 Cb 0.48 -2.18 0.00 0.00 -1.01 0.00 0.00 64.21 61.50 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 -1.09 0.51 0.12 0.23 0.00 -0.41 -4.89 105.19 99.66 2jc3 n GLY 164 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 1.25 0.00 -6.51 1.61 3.08 -0.20 -3.47 114.38 110.14 2jc3 h ARG 165 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 2jc3 h ARG 165 Cb 0.15 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.29 2jc3 h ARG 165 CO 0.00 0.00 0.39 1.51 -1.07 0.00 0.00 179.97 180.80 2jc3 n ILE 166 N -2.41 1.29 0.00 2.04 3.06 -1.26 -4.63 119.36 117.44 2jc3 n ILE 166 Ca 0.05 -0.32 0.00 0.00 -2.50 0.00 0.00 62.75 59.97 2jc3 n ILE 166 Cb 0.46 -1.20 0.00 0.00 0.54 0.00 0.00 39.64 39.44 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 1.23 0.00 -4.03 9.51 -2.24 -0.64 -4.86 114.28 113.25 2jc3 n THR 167 Ca 0.11 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.76 2jc3 n THR 167 Cb 0.30 -0.25 -0.13 0.00 -2.10 0.00 0.00 70.33 68.15 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 -1.98 0.34 -0.14 4.78 3.76 -1.17 -0.91 115.29 119.96 2jc3 s HIS 168 Ca 0.00 -0.20 0.02 0.00 -0.15 0.00 0.00 55.06 54.72 2jc3 s HIS 168 Cb 0.00 -0.21 0.02 0.00 1.11 0.00 0.00 32.58 33.49 2jc3 s HIS 168 CO 0.00 -0.05 -0.18 0.12 -0.85 0.00 0.00 174.74 173.78 2jc3 s PHE 169 N -0.52 2.37 -0.07 1.40 5.36 0.12 -1.67 117.98 124.97 2jc3 s PHE 169 Ca -0.03 -1.24 0.03 0.00 -0.96 0.00 0.00 56.93 54.72 2jc3 s PHE 169 Cb -0.04 -1.67 -0.02 0.00 -0.34 0.00 0.00 43.02 40.95 2jc3 s PHE 169 CO -0.00 -0.62 -0.15 0.08 -1.46 0.00 0.00 175.22 173.07 2jc3 s VAL 170 N 1.09 2.96 -0.18 3.12 1.01 0.42 -0.02 120.40 128.80 2jc3 s VAL 170 Ca -0.02 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 2jc3 s VAL 170 Cb -0.14 -2.17 0.06 0.00 0.00 0.00 0.00 36.38 34.13 2jc3 s VAL 170 CO -0.06 0.57 0.42 -0.55 0.00 0.00 0.00 175.10 175.49 2jc3 s SER 171 N -0.40 -0.49 0.15 3.32 0.15 -0.64 -2.62 113.70 113.16 2jc3 s SER 171 Ca 0.04 0.92 -0.30 0.00 0.70 0.00 0.00 55.95 57.32 2jc3 s SER 171 Cb -0.12 0.87 -0.07 0.00 -1.71 0.00 0.00 66.02 64.99 2jc3 s SER 171 CO 0.02 -0.20 1.22 -0.44 1.20 0.00 0.00 173.24 175.04 2jc3 s SER 172 N 1.59 7.05 -0.26 5.45 0.01 -1.26 -1.15 113.70 125.13 2jc3 s SER 172 Ca -0.08 2.19 -0.12 0.00 1.31 0.00 0.00 55.95 59.24 2jc3 s SER 172 Cb -0.09 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 63.50 2jc3 s SER 172 CO -0.13 -0.43 0.26 -0.04 0.41 0.00 0.00 173.24 173.31 2jc3 s MET 173 N 0.24 4.01 0.00 12.44 1.00 -0.10 -4.85 119.30 132.05 2jc3 s MET 173 Ca 0.56 -0.16 0.00 0.00 0.00 0.00 0.00 55.69 56.09 2jc3 s MET 173 Cb -0.32 -3.62 0.00 0.00 0.00 0.00 0.00 34.83 30.88 2jc3 s MET 173 CO 0.34 -0.15 0.00 0.41 0.00 0.00 0.00 175.02 175.62 2jc3 n GLY 174 N 4.70 0.23 0.13 -0.03 0.00 -1.26 -3.95 105.19 105.00 2jc3 n GLY 174 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 2.61 1.35 -1.93 -3.45 112.91 111.49 2jc3 h THR 175 Ca 0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 2jc3 h THR 175 Cb 0.00 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 2jc3 h THR 175 CO 0.00 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.62 2jc3 n THR 176 N -2.50 0.00 -0.35 6.82 -2.24 -1.26 -4.69 114.28 110.07 2jc3 n THR 176 Ca 0.04 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.86 2jc3 n THR 176 Cb 0.47 -0.03 0.22 0.00 -2.10 0.00 0.00 70.33 68.89 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 1.49 0.53 3.38 0.00 -1.92 0.12 103.07 106.68 2jc3 h GLY 177 Ca 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 2jc3 h GLY 177 CO 0.00 0.28 -0.15 -0.84 0.00 0.00 0.00 176.54 175.82 2jc3 h THR 178 N 1.08 0.55 -0.71 4.70 2.02 -1.91 -1.94 112.91 116.71 2jc3 h THR 178 Ca 0.44 -0.73 0.01 0.00 0.77 0.00 0.00 66.41 66.89 2jc3 h THR 178 Cb 0.27 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 2jc3 h THR 178 CO -0.19 0.12 0.46 -0.29 0.37 0.00 0.00 175.52 175.99 2jc3 h ILE 179 N -0.91 1.18 0.02 3.11 2.10 -1.89 -0.08 117.51 121.04 2jc3 h ILE 179 Ca -0.04 -0.35 0.01 0.00 1.08 0.00 0.00 64.86 65.56 2jc3 h ILE 179 Cb 0.52 0.15 -0.01 0.00 -1.09 0.00 0.00 36.82 36.39 2jc3 h ILE 179 CO 0.07 0.18 -0.07 0.74 -1.08 0.00 0.00 178.15 177.99 2jc3 h THR 180 N 0.96 0.83 -0.14 2.19 2.02 -1.03 0.14 112.91 117.88 2jc3 h THR 180 Ca 0.26 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.30 2jc3 h THR 180 Cb -0.10 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 2jc3 h THR 180 CO -0.05 0.00 -0.51 1.23 0.37 0.00 0.00 175.52 176.55 2jc3 h GLY 181 N -0.13 0.44 0.41 2.16 0.00 -1.17 -1.55 103.07 103.22 2jc3 h GLY 181 Ca 0.02 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 2jc3 h GLY 181 CO -0.06 0.44 -0.07 -2.08 0.00 0.00 0.00 176.54 174.77 2jc3 h VAL 182 N 0.31 1.51 -0.35 4.60 2.07 -0.90 -2.77 116.25 120.72 2jc3 h VAL 182 Ca 0.01 -1.59 0.08 0.00 0.82 0.00 0.00 66.70 66.01 2jc3 h VAL 182 Cb 1.01 2.53 -0.08 0.00 -1.52 0.00 0.00 31.29 33.23 2jc3 h VAL 182 CO 0.09 0.42 -0.24 -1.28 0.02 0.00 0.00 177.57 176.58 2jc3 h SER 183 N -0.55 -0.80 -0.91 0.57 0.87 -0.69 0.02 113.55 112.06 2jc3 h SER 183 Ca -0.00 0.16 0.20 0.00 -1.23 0.00 0.00 61.79 60.91 2jc3 h SER 183 Cb 0.73 0.40 -0.11 0.00 -0.44 0.00 0.00 62.40 62.97 2jc3 h SER 183 CO 0.01 -0.27 0.46 -0.09 -0.53 0.00 0.00 176.83 176.42 2jc3 h ARG 184 N -0.20 0.53 -0.09 2.24 2.43 -1.32 0.16 114.38 118.13 2jc3 h ARG 184 Ca 0.17 -0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 59.10 2jc3 h ARG 184 Cb 0.47 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2jc3 h ARG 184 CO -0.46 0.35 -0.79 0.35 -1.51 0.00 0.00 179.97 177.91 2jc3 h PHE 185 N 0.54 0.74 -0.34 2.20 3.04 -0.78 -3.24 116.94 119.12 2jc3 h PHE 185 Ca 0.54 -0.34 -0.13 0.00 3.98 0.00 0.00 57.97 62.02 2jc3 h PHE 185 Cb 0.93 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.32 2jc3 h PHE 185 CO -0.09 1.13 -0.31 -0.07 -2.02 0.00 0.00 178.31 176.96 2jc3 h LEU 186 N 0.36 0.76 -1.84 0.59 3.38 0.69 -2.85 115.31 116.40 2jc3 h LEU 186 Ca -0.05 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.70 2jc3 h LEU 186 Cb 1.39 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 2jc3 h LEU 186 CO 0.14 1.01 0.27 0.03 0.09 0.00 0.00 178.44 179.99 2jc3 h ARG 187 N 0.62 0.19 0.00 1.13 2.47 -0.81 0.89 114.38 118.86 2jc3 h ARG 187 Ca 0.07 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 2jc3 h ARG 187 Cb 0.83 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.11 2jc3 h ARG 187 CO 0.07 0.12 0.00 0.39 0.56 0.00 0.00 179.97 181.11 2jc3 n GLU 188 N -4.46 0.47 -3.67 0.04 1.02 -1.08 -4.73 120.64 108.23 2jc3 n GLU 188 Ca 0.06 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.93 2jc3 n GLU 188 Cb 0.33 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 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 3.52 0.04 3.49 -1.52 0.30 -5.02 119.66 118.48 2jc3 s GLN 189 Ca 0.21 -0.35 -0.31 0.00 -1.95 0.00 0.00 55.36 52.96 2jc3 s GLN 189 Cb 0.10 -2.82 -0.18 0.00 -0.22 0.00 0.00 33.01 29.89 2jc3 s GLN 189 CO 0.17 0.37 1.43 0.93 -0.25 0.00 0.00 175.29 177.93 2jc3 h GLU 190 N 1.82 -0.91 -6.65 2.91 5.08 -1.86 -3.43 114.58 111.54 2jc3 h GLU 190 Ca -0.48 0.06 -0.57 0.00 -1.00 0.00 0.00 59.36 57.37 2jc3 h GLU 190 Cb 1.20 0.21 0.09 0.00 0.50 0.00 0.00 28.75 30.74 2jc3 h GLU 190 CO 0.67 -0.58 0.67 1.17 -1.00 0.00 0.00 179.01 179.93 2jc3 n LYS 191 N -5.46 2.20 -2.69 2.33 4.81 -1.26 -4.96 118.16 113.13 2jc3 n LYS 191 Ca -0.13 0.78 -0.33 0.00 -0.87 0.00 0.00 58.31 57.75 2jc3 n LYS 191 Cb 0.39 -2.46 -0.05 0.00 0.02 0.00 0.00 35.03 32.93 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 -0.56 4.04 -0.03 1.64 0.02 -1.26 -4.95 135.00 133.89 2jc3 s PRO 192 Ca 0.66 1.22 -0.01 0.00 0.02 0.00 0.00 61.00 62.89 2jc3 s PRO 192 Cb -0.61 -2.14 0.03 0.00 0.02 0.00 0.00 34.50 31.80 2jc3 s PRO 192 CO 0.51 -0.21 0.06 0.08 -0.33 0.00 0.00 177.00 177.10 2jc3 s VAL 193 N -2.10 -0.05 -0.09 3.83 1.01 -1.26 -4.84 120.40 116.89 2jc3 s VAL 193 Ca 0.64 0.19 -0.27 0.00 0.00 0.00 0.00 61.98 62.55 2jc3 s VAL 193 Cb -0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 2jc3 s VAL 193 CO 0.16 0.08 0.86 -0.89 0.00 0.00 0.00 175.10 175.31 2jc3 s THR 194 N 1.03 4.91 -0.31 3.92 2.01 -0.09 -4.94 115.64 122.16 2jc3 s THR 194 Ca -0.08 1.75 -0.11 0.00 0.31 0.00 0.00 61.69 63.55 2jc3 s THR 194 Cb -0.12 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.19 2jc3 s THR 194 CO -0.03 0.12 0.20 -0.63 -0.69 0.00 0.00 174.62 173.58 2jc3 s ILE 195 N 1.50 5.07 -0.19 1.82 -1.09 -1.26 -0.71 121.20 126.34 2jc3 s ILE 195 Ca 0.43 -0.15 -0.02 0.00 -2.23 0.00 0.00 60.65 58.67 2jc3 s ILE 195 Cb -0.18 -3.53 -0.01 0.00 -1.58 0.00 0.00 42.46 37.16 2jc3 s ILE 195 CO 0.18 0.10 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.22 2jc3 s VAL 196 N 1.70 3.11 0.19 2.92 1.01 0.97 -1.14 120.40 129.16 2jc3 s VAL 196 Ca 0.06 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.50 2jc3 s VAL 196 Cb -0.17 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 2jc3 s VAL 196 CO 0.09 0.47 0.17 -0.83 0.00 0.00 0.00 175.10 175.00 2jc3 s GLY 197 N 1.18 1.62 0.05 4.51 0.00 0.05 -1.62 107.32 113.11 2jc3 s GLY 197 Ca 0.02 -1.25 0.06 0.00 0.00 0.00 0.00 44.72 43.55 2jc3 s GLY 197 CO -0.03 -1.27 -0.17 1.08 0.00 0.00 0.00 173.10 172.72 2jc3 s LEU 198 N -3.32 2.19 0.05 0.66 1.43 -0.30 -1.24 118.68 118.14 2jc3 s LEU 198 Ca 0.32 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 52.88 2jc3 s LEU 198 Cb -0.10 -0.73 -0.02 0.00 0.03 0.00 0.00 46.19 45.37 2jc3 s LEU 198 CO 0.24 0.06 0.03 0.00 0.23 0.00 0.00 176.35 176.92 2jc3 s GLN 199 N -1.25 0.59 0.52 1.70 -2.07 -0.52 -0.92 119.66 117.72 2jc3 s GLN 199 Ca 0.03 -0.97 -0.20 0.00 -1.82 0.00 0.00 55.36 52.41 2jc3 s GLN 199 Cb -0.08 0.22 -0.07 0.00 -1.09 0.00 0.00 33.01 31.99 2jc3 s GLN 199 CO 0.02 -0.13 1.08 -1.25 -1.32 0.00 0.00 175.29 173.69 2jc3 s PRO 200 N -3.19 3.56 0.73 9.60 0.04 -1.26 -0.63 135.00 143.85 2jc3 s PRO 200 Ca 0.00 1.47 -0.14 0.00 0.04 0.00 0.00 61.00 62.38 2jc3 s PRO 200 Cb 0.02 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.56 2jc3 s PRO 200 CO -0.07 -0.66 1.14 -1.21 0.04 0.00 0.00 177.00 176.24 2jc3 s GLU 201 N -3.30 2.28 0.28 4.56 2.02 -0.38 -4.66 118.70 119.50 2jc3 s GLU 201 Ca 0.70 1.49 -0.30 0.00 0.02 0.00 0.00 54.97 56.87 2jc3 s GLU 201 Cb -0.20 -1.88 -0.11 0.00 0.10 0.00 0.00 34.13 32.04 2jc3 s GLU 201 CO 0.24 -1.67 1.60 -1.21 0.02 0.00 0.00 175.26 174.24 2jc3 s GLU 202 N -4.25 4.13 0.00 1.61 2.02 -1.26 -1.13 118.70 119.82 2jc3 s GLU 202 Ca 0.68 2.57 0.00 0.00 0.02 0.00 0.00 54.97 58.24 2jc3 s GLU 202 Cb -0.23 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 30.97 2jc3 s GLU 202 CO 0.47 -0.63 0.00 0.41 0.02 0.00 0.00 175.26 175.53 2jc3 n GLY 203 N 2.32 3.14 3.75 -1.39 0.00 -1.26 -5.02 105.19 106.73 2jc3 n GLY 203 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.53 7.51 -0.23 1.61 0.01 -0.28 -5.03 113.70 116.76 2jc3 s SER 204 Ca 0.00 2.06 -0.02 0.00 1.31 0.00 0.00 55.95 59.30 2jc3 s SER 204 Cb 0.00 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.63 2jc3 s SER 204 CO 0.00 0.05 -0.07 -0.55 0.41 0.00 0.00 173.24 173.08 2jc3 s SER 205 N -1.08 4.16 -0.24 2.44 0.15 -1.26 -4.73 113.70 113.13 2jc3 s SER 205 Ca 0.42 -0.66 -0.01 0.00 0.70 0.00 0.00 55.95 56.40 2jc3 s SER 205 Cb -0.28 -1.67 0.07 0.00 -1.71 0.00 0.00 66.02 62.43 2jc3 s SER 205 CO 0.35 -0.07 0.02 -0.63 1.20 0.00 0.00 173.24 174.11 2jc3 s ILE 206 N 1.38 1.03 0.26 6.45 1.01 -1.26 -4.80 121.20 125.27 2jc3 s ILE 206 Ca 0.03 -1.07 -0.29 0.00 0.00 0.00 0.00 60.65 59.32 2jc3 s ILE 206 Cb -0.15 -1.52 -0.15 0.00 0.01 0.00 0.00 42.46 40.65 2jc3 s ILE 206 CO -0.05 -0.31 0.99 -2.65 0.00 0.00 0.00 174.94 172.91 2jc3 n PRO 207 N 4.84 1.18 0.00 2.79 -0.02 -1.26 -2.55 135.00 139.97 2jc3 n PRO 207 Ca -0.08 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2jc3 n PRO 207 Cb 0.45 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 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 1.45 2.97 3.51 -1.23 0.00 -1.26 -4.29 105.19 106.34 2jc3 n GLY 208 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.50 0.71 0.12 -0.61 -4.36 -1.06 -4.50 121.20 109.00 2jc3 s ILE 209 Ca 0.00 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.17 2jc3 s ILE 209 Cb 0.00 -2.41 0.06 0.00 1.25 0.00 0.00 42.46 41.36 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 -3.75 1.18 -0.38 0.37 1.70 -1.25 -4.66 118.95 112.15 2jc3 s ARG 210 Ca 0.25 -0.43 -0.25 0.00 -0.47 0.00 0.00 55.73 54.83 2jc3 s ARG 210 Cb 0.04 0.54 0.02 0.00 -0.57 0.00 0.00 34.95 34.97 2jc3 s ARG 210 CO 0.14 -0.48 0.87 0.50 -1.08 0.00 0.00 175.30 175.25 2jc3 s ARG 211 N -3.37 3.75 0.30 3.89 3.52 -1.26 -4.62 118.95 121.15 2jc3 s ARG 211 Ca -0.00 0.40 -0.27 0.00 -0.13 0.00 0.00 55.73 55.72 2jc3 s ARG 211 Cb -0.00 -3.83 -0.10 0.00 -1.56 0.00 0.00 34.95 29.46 2jc3 s ARG 211 CO -0.09 -0.96 0.95 -1.58 -0.81 0.00 0.00 175.30 172.80 2jc3 s TRP 212 N 3.37 3.78 0.30 5.12 0.52 -1.26 -4.99 118.94 125.78 2jc3 s TRP 212 Ca 0.35 1.83 -0.30 0.00 0.02 0.00 0.00 56.10 58.00 2jc3 s TRP 212 Cb -0.12 -2.95 -0.11 0.00 -1.15 0.00 0.00 33.47 29.14 2jc3 s TRP 212 CO 0.19 0.27 1.57 -2.14 0.02 0.00 0.00 176.95 176.86 2jc3 s PRO 213 N -1.76 4.13 0.17 4.98 0.02 -1.26 -4.82 135.00 136.45 2jc3 s PRO 213 Ca 0.47 2.56 -0.00 0.00 0.02 0.00 0.00 61.00 64.05 2jc3 s PRO 213 Cb -0.21 -3.02 0.38 0.00 0.02 0.00 0.00 34.50 31.67 2jc3 s PRO 213 CO 0.27 -0.60 0.87 0.00 -0.33 0.00 0.00 177.00 177.21 2jc3 n ALA 214 N 1.91 0.24 -1.52 -1.55 0.00 -1.26 -0.30 120.51 118.03 2jc3 n ALA 214 Ca 0.07 0.60 -0.12 0.00 0.00 0.00 0.00 53.44 53.99 2jc3 n ALA 214 Cb 0.38 -0.42 0.16 0.00 0.00 0.00 0.00 19.45 19.57 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 -4.75 2.23 -2.52 0.00 1.02 -1.26 -4.57 120.64 110.79 2jc3 n GLU 215 Ca 0.12 -3.35 0.00 0.00 -0.02 0.00 0.00 57.16 53.91 2jc3 n GLU 215 Cb 0.39 -1.97 0.04 0.00 -0.02 0.00 0.00 31.44 29.88 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 -1.04 1.03 -1.45 -0.32 4.02 0.58 -5.10 117.16 114.88 2jc3 n TYR 216 Ca 0.40 -1.79 -0.34 0.00 -0.01 0.00 0.00 57.90 56.16 2jc3 n TYR 216 Cb 1.04 -0.22 0.09 0.00 -0.02 0.00 0.00 39.34 40.23 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 -3.00 2.18 0.59 -0.72 -1.94 -1.25 -4.58 119.30 110.58 2jc3 s MET 217 Ca 0.29 1.70 -0.20 0.00 -1.71 0.00 0.00 55.69 55.78 2jc3 s MET 217 Cb 0.34 -1.84 -0.04 0.00 2.01 0.00 0.00 34.83 35.29 2jc3 s MET 217 CO -0.07 -1.79 1.18 -0.35 -0.01 0.00 0.00 175.02 173.98 2jc3 n PRO 218 N -2.74 1.22 -0.33 2.03 -0.04 -1.26 -4.88 135.00 129.00 2jc3 n PRO 218 Ca 0.13 0.46 0.19 0.00 -0.04 0.00 0.00 63.50 64.25 2jc3 n PRO 218 Cb 0.50 -2.38 0.41 0.00 -0.04 0.00 0.00 33.50 31.99 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 0.83 1.89 2.00 0.55 0.00 -1.83 -0.77 103.07 105.75 2jc3 h GLY 219 Ca -0.50 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.59 2jc3 h GLY 219 CO 0.54 -0.37 0.00 0.29 0.00 0.00 0.00 176.54 177.00 2jc3 n ILE 220 N -5.01 0.79 -2.24 2.60 -5.35 -1.04 -4.85 119.36 104.26 2jc3 n ILE 220 Ca 0.28 0.15 -0.39 0.00 -0.27 0.00 0.00 62.75 62.52 2jc3 n ILE 220 Cb 0.84 -1.04 -0.02 0.00 -1.74 0.00 0.00 39.64 37.67 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 -3.25 3.08 -0.36 4.28 2.19 -0.30 -5.01 117.98 118.62 2jc3 s PHE 221 Ca 0.06 1.52 0.00 0.00 0.33 0.00 0.00 56.93 58.84 2jc3 s PHE 221 Cb 0.10 -3.49 0.12 0.00 -1.31 0.00 0.00 43.02 38.44 2jc3 s PHE 221 CO 0.41 -1.47 0.16 1.21 1.83 0.00 0.00 175.22 177.36 2jc3 s ASN 222 N -0.90 3.79 0.49 6.13 3.84 -1.26 -5.00 114.94 122.04 2jc3 s ASN 222 Ca 0.54 -2.03 0.36 0.00 0.21 0.00 0.00 52.86 51.93 2jc3 s ASN 222 Cb -0.34 -0.88 1.50 0.00 -0.55 0.00 0.00 41.25 40.99 2jc3 s ASN 222 CO 0.44 -0.35 1.68 0.00 -2.79 0.00 0.00 177.10 176.07 2jc3 h ALA 223 N 7.51 3.08 0.00 1.71 0.00 -1.95 0.21 119.26 129.82 2jc3 h ALA 223 Ca -0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jc3 h ALA 223 Cb 0.98 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2jc3 h ALA 223 CO 0.45 -1.58 0.00 -1.13 0.00 0.00 0.00 179.25 176.99 2jc3 n SER 224 N -4.35 0.45 0.13 0.00 3.41 -1.26 -2.53 113.62 109.47 2jc3 n SER 224 Ca 0.34 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.67 2jc3 n SER 224 Cb 1.47 -0.69 0.25 0.00 -0.26 0.00 0.00 64.21 64.97 2jc3 n SER 224 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2jc3 h LEU 225 N 0.00 0.00 -8.36 1.04 3.38 -1.00 -3.43 115.31 106.94 2jc3 h LEU 225 Ca 0.00 -0.05 -0.68 0.00 0.09 0.00 0.00 57.88 57.24 2jc3 h LEU 225 Cb 0.41 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.90 2jc3 h LEU 225 CO 0.00 0.02 -0.62 -0.69 0.09 0.00 0.00 178.44 177.24 2jc3 s VAL 226 N -3.17 3.94 0.25 1.22 1.01 -1.05 -4.76 120.40 117.84 2jc3 s VAL 226 Ca 0.07 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.35 2jc3 s VAL 226 Cb 0.10 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 2jc3 s VAL 226 CO 0.66 0.05 1.60 0.44 0.00 0.00 0.00 175.10 177.86 2jc3 h ASP 227 N 8.23 0.29 -4.68 3.32 3.32 -1.41 -3.46 116.42 122.03 2jc3 h ASP 227 Ca -0.30 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 56.49 2jc3 h ASP 227 Cb 1.12 -0.08 -0.21 0.00 0.22 0.00 0.00 39.33 40.38 2jc3 h ASP 227 CO 0.60 0.77 -0.17 -0.70 -1.72 0.00 0.00 179.24 178.03 2jc3 s GLU 228 N -3.91 0.70 -0.12 3.56 2.12 -0.88 -5.00 118.70 115.17 2jc3 s GLU 228 Ca -0.04 0.12 -0.00 0.00 0.36 0.00 0.00 54.97 55.40 2jc3 s GLU 228 Cb 0.12 0.32 0.02 0.00 0.26 0.00 0.00 34.13 34.86 2jc3 s GLU 228 CO 0.79 -0.18 -0.10 0.08 -0.54 0.00 0.00 175.26 175.32 2jc3 s VAL 229 N -0.87 1.22 0.11 3.70 1.01 -1.26 -0.77 120.40 123.54 2jc3 s VAL 229 Ca -0.09 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.52 2jc3 s VAL 229 Cb -0.04 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 2jc3 s VAL 229 CO 0.04 0.40 0.04 -0.76 0.00 0.00 0.00 175.10 174.82 2jc3 s LEU 230 N 1.59 3.59 0.04 3.92 1.02 -0.37 -4.98 118.68 123.48 2jc3 s LEU 230 Ca 0.04 -0.15 -0.11 0.00 0.02 0.00 0.00 54.13 53.93 2jc3 s LEU 230 Cb -0.13 -2.28 -0.06 0.00 0.02 0.00 0.00 46.19 43.75 2jc3 s LEU 230 CO -0.08 0.15 0.38 -1.81 0.02 0.00 0.00 176.35 175.00 2jc3 s ASP 231 N -2.54 6.67 -0.10 2.29 1.11 -1.26 -1.43 116.67 121.40 2jc3 s ASP 231 Ca 0.28 0.81 0.02 0.00 0.18 0.00 0.00 52.55 53.84 2jc3 s ASP 231 Cb -0.11 -2.19 0.01 0.00 1.07 0.00 0.00 42.92 41.70 2jc3 s ASP 231 CO 0.20 0.24 -0.16 -0.63 1.18 0.00 0.00 175.17 176.00 2jc3 s ILE 232 N -1.28 1.51 0.20 0.77 -1.09 0.20 -4.85 121.20 116.66 2jc3 s ILE 232 Ca 0.29 -0.67 -0.30 0.00 -2.23 0.00 0.00 60.65 57.74 2jc3 s ILE 232 Cb -0.15 -1.36 -0.08 0.00 -1.58 0.00 0.00 42.46 39.29 2jc3 s ILE 232 CO 0.16 0.44 0.94 -2.28 -1.23 0.00 0.00 174.94 172.97 2jc3 s HIS 233 N 0.81 3.94 0.22 3.97 5.65 -1.26 -1.25 115.29 127.36 2jc3 s HIS 233 Ca -0.10 1.88 -0.13 0.00 0.25 0.00 0.00 55.06 56.96 2jc3 s HIS 233 Cb -0.16 -3.00 0.26 0.00 -1.18 0.00 0.00 32.58 28.50 2jc3 s HIS 233 CO 0.01 0.39 1.62 0.37 -0.65 0.00 0.00 174.74 176.48 2jc3 h GLN 234 N 4.56 0.00 -0.69 2.88 4.15 -1.90 -0.79 115.11 123.32 2jc3 h GLN 234 Ca -0.44 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 2jc3 h GLN 234 Cb 1.20 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.86 2jc3 h GLN 234 CO 0.69 0.00 0.44 -0.97 -1.93 0.00 0.00 178.83 177.06 2jc3 h ASN 235 N 0.00 0.81 0.12 -0.69 -0.73 -1.93 0.22 115.58 113.39 2jc3 h ASN 235 Ca 0.32 -0.03 -0.16 0.00 1.87 0.00 0.00 56.30 58.30 2jc3 h ASN 235 Cb 0.49 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 2jc3 h ASN 235 CO -0.68 0.60 -0.57 -0.78 -0.37 0.00 0.00 177.43 175.64 2jc3 h ASP 236 N 0.94 0.52 -0.21 1.15 3.58 -1.58 -1.35 116.42 119.47 2jc3 h ASP 236 Ca 0.25 -0.28 -0.09 0.00 0.42 0.00 0.00 57.03 57.33 2jc3 h ASP 236 Cb -0.08 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 40.82 2jc3 h ASP 236 CO -0.05 0.97 -0.21 0.00 -2.88 0.00 0.00 179.24 177.07 2jc3 h ALA 237 N 1.04 0.31 -0.61 -0.78 0.00 -0.36 -2.24 119.26 116.62 2jc3 h ALA 237 Ca 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 2jc3 h ALA 237 Cb 1.10 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2jc3 h ALA 237 CO 0.10 0.25 0.23 0.93 0.00 0.00 0.00 179.25 180.76 2jc3 h GLU 238 N 0.20 0.92 -0.67 0.00 5.08 -0.53 -1.64 114.58 117.92 2jc3 h GLU 238 Ca 0.03 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 2jc3 h GLU 238 Cb 0.75 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2jc3 h GLU 238 CO 0.05 0.79 0.26 -0.91 -1.00 0.00 0.00 179.01 178.21 2jc3 h ASN 239 N 0.85 0.93 0.25 1.42 2.35 -1.22 -1.62 115.58 118.54 2jc3 h ASN 239 Ca 0.20 -0.17 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 2jc3 h ASN 239 Cb 0.23 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2jc3 h ASN 239 CO -0.01 0.85 -0.39 0.74 -1.65 0.00 0.00 177.43 176.97 2jc3 h THR 240 N 0.96 1.30 -0.16 2.81 2.02 -1.28 -0.23 112.91 118.31 2jc3 h THR 240 Ca 0.22 -1.44 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 2jc3 h THR 240 Cb 0.21 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 2jc3 h THR 240 CO -0.02 0.43 0.05 -0.03 0.37 0.00 0.00 175.52 176.32 2jc3 h MET 241 N 0.17 0.25 -0.67 6.66 1.85 -0.72 -0.16 114.93 122.31 2jc3 h MET 241 Ca 0.02 -0.05 -0.08 0.00 -0.61 0.00 0.00 59.70 58.98 2jc3 h MET 241 Cb 0.76 -0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.73 2jc3 h MET 241 CO 0.06 0.37 0.11 0.00 -0.40 0.00 0.00 176.91 177.05 2jc3 h ARG 242 N 0.09 1.11 -0.01 0.39 3.08 -1.09 -2.74 114.38 115.21 2jc3 h ARG 242 Ca 0.05 -0.29 -0.08 0.00 0.07 0.00 0.00 59.98 59.72 2jc3 h ARG 242 Cb 0.22 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2jc3 h ARG 242 CO -0.00 1.01 -0.40 1.49 -1.07 0.00 0.00 179.97 181.00 2jc3 h GLU 243 N 1.03 0.01 -0.37 0.04 4.81 -0.88 -2.15 114.58 117.07 2jc3 h GLU 243 Ca 0.20 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.30 2jc3 h GLU 243 Cb 0.44 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2jc3 h GLU 243 CO 0.01 0.41 -0.29 -0.07 -0.73 0.00 0.00 179.01 178.34 2jc3 h LEU 244 N 0.01 0.83 -0.24 1.64 3.38 -0.73 0.84 115.31 121.03 2jc3 h LEU 244 Ca -0.00 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 2jc3 h LEU 244 Cb 0.71 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2jc3 h LEU 244 CO 0.05 1.06 -0.09 0.00 0.09 0.00 0.00 178.44 179.55 2jc3 h ALA 245 N 0.99 0.34 -0.26 1.53 0.00 -1.02 -1.09 119.26 119.74 2jc3 h ALA 245 Ca 0.08 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 2jc3 h ALA 245 Cb 0.83 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2jc3 h ALA 245 CO 0.07 0.17 -0.27 0.28 0.00 0.00 0.00 179.25 179.50 2jc3 h VAL 246 N 0.22 1.31 -0.00 0.00 2.07 -1.34 -2.32 116.25 116.19 2jc3 h VAL 246 Ca 0.06 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.13 2jc3 h VAL 246 Cb 0.58 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2jc3 h VAL 246 CO 0.03 0.46 -0.82 0.54 0.02 0.00 0.00 177.57 177.80 2jc3 n ARG 247 N -4.30 0.70 0.00 1.57 1.74 0.28 -4.52 116.66 112.12 2jc3 n ARG 247 Ca -0.04 -0.22 0.00 0.00 -0.77 0.00 0.00 57.85 56.82 2jc3 n ARG 247 Cb 0.46 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 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 -1.14 3.60 -1.16 5.56 -0.58 -0.51 -4.62 120.64 121.78 2jc3 n GLU 248 Ca 0.05 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.73 2jc3 n GLU 248 Cb 0.34 -0.38 -0.02 0.00 -0.57 0.00 0.00 31.44 30.80 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 0.73 0.81 3.46 0.62 0.00 -0.64 -4.98 105.19 105.18 2jc3 n GLY 249 Ca 0.00 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.18 4.86 -0.44 -0.61 1.01 -0.61 -4.91 121.20 118.33 2jc3 s ILE 250 Ca 0.00 -0.47 -0.14 0.00 0.00 0.00 0.00 60.65 60.04 2jc3 s ILE 250 Cb 0.00 -3.55 0.06 0.00 0.01 0.00 0.00 42.46 38.98 2jc3 s ILE 250 CO 0.00 -0.05 0.34 0.12 0.00 0.00 0.00 174.94 175.35 2jc3 s PHE 251 N 1.64 3.26 0.33 3.97 5.99 -1.26 -1.84 117.98 130.07 2jc3 s PHE 251 Ca 0.05 -0.93 0.06 0.00 0.00 0.00 0.00 56.93 56.11 2jc3 s PHE 251 Cb -0.18 -2.93 -0.03 0.00 0.00 0.00 0.00 43.02 39.89 2jc3 s PHE 251 CO 0.08 -0.74 0.24 0.00 -0.00 0.00 0.00 175.22 174.80 2jc3 s GLY 253 N -3.39 1.75 0.23 0.00 0.00 -1.15 -3.93 107.32 100.83 2jc3 s GLY 253 Ca 0.38 -1.16 -0.08 0.00 0.00 0.00 0.00 44.72 43.86 2jc3 s GLY 253 CO 0.24 -0.47 1.91 -2.08 0.00 0.00 0.00 173.10 172.71 2jc3 h VAL 254 N -1.42 1.23 0.00 1.40 2.07 -1.90 -1.71 116.25 115.92 2jc3 h VAL 254 Ca -0.44 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 2jc3 h VAL 254 Cb 1.25 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2jc3 h VAL 254 CO 0.43 0.22 -0.21 0.77 0.02 0.00 0.00 177.57 178.81 2jc3 h SER 255 N 1.22 0.00 0.13 0.57 4.64 -1.91 -0.84 113.55 117.35 2jc3 h SER 255 Ca 0.33 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.49 2jc3 h SER 255 Cb -0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 2jc3 h SER 255 CO -0.07 0.21 -0.61 0.28 -0.87 0.00 0.00 176.83 175.76 2jc3 h SER 256 N 0.00 0.54 -0.33 4.97 0.02 -1.62 0.06 113.55 117.18 2jc3 h SER 256 Ca -0.00 -0.31 -0.13 0.00 -0.84 0.00 0.00 61.79 60.51 2jc3 h SER 256 Cb 0.54 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2jc3 h SER 256 CO 0.03 1.02 -0.29 1.23 -1.14 0.00 0.00 176.83 177.68 2jc3 h GLY 257 N 1.16 0.93 0.98 -3.77 0.00 -0.82 -1.65 103.07 99.89 2jc3 h GLY 257 Ca -0.01 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 46.47 2jc3 h GLY 257 CO 0.11 0.77 0.17 -1.33 0.00 0.00 0.00 176.54 176.26 2jc3 h GLY 258 N 0.91 0.39 0.76 4.60 0.00 -0.85 0.15 103.07 109.02 2jc3 h GLY 258 Ca 0.08 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.30 2jc3 h GLY 258 CO 0.07 0.16 0.35 0.00 0.00 0.00 0.00 176.54 177.12 2jc3 h ALA 259 N 1.06 0.81 -0.18 3.60 0.00 -0.72 0.10 119.26 123.93 2jc3 h ALA 259 Ca 0.10 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 2jc3 h ALA 259 Cb 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2jc3 h ALA 259 CO -0.02 0.05 -0.49 0.28 0.00 0.00 0.00 179.25 179.07 2jc3 h VAL 260 N 0.67 1.32 -0.78 0.00 2.07 -1.00 0.39 116.25 118.92 2jc3 h VAL 260 Ca 0.27 -1.71 0.02 0.00 0.82 0.00 0.00 66.70 66.10 2jc3 h VAL 260 Cb 0.12 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 2jc3 h VAL 260 CO -0.15 0.53 0.51 0.00 0.02 0.00 0.00 177.57 178.48 2jc3 h ALA 261 N 1.08 1.02 -0.31 1.67 0.00 0.01 0.13 119.26 122.85 2jc3 h ALA 261 Ca 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2jc3 h ALA 261 Cb 1.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2jc3 h ALA 261 CO 0.09 0.34 0.07 0.78 0.00 0.00 0.00 179.25 180.53 2jc3 h GLY 262 N 1.00 0.54 2.00 0.00 0.00 -0.31 -2.43 103.07 103.88 2jc3 h GLY 262 Ca 0.31 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 2jc3 h GLY 262 CO -0.10 0.32 -0.09 0.00 0.00 0.00 0.00 176.54 176.67 2jc3 h ALA 263 N 0.90 1.81 -0.40 3.60 0.00 -0.22 -1.48 119.26 123.47 2jc3 h ALA 263 Ca 0.10 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2jc3 h ALA 263 Cb 0.31 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2jc3 h ALA 263 CO 0.00 0.12 -0.22 -0.07 0.00 0.00 0.00 179.25 179.08 2jc3 h LEU 264 N 0.00 0.88 -0.07 0.00 3.38 -0.39 0.15 115.31 119.25 2jc3 h LEU 264 Ca -0.00 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2jc3 h LEU 264 Cb 0.17 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2jc3 h LEU 264 CO 0.01 1.10 0.04 0.03 0.09 0.00 0.00 178.44 179.71 2jc3 h ARG 265 N 0.66 0.08 -0.05 1.13 3.08 -0.84 0.20 114.38 118.64 2jc3 h ARG 265 Ca 0.09 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.15 2jc3 h ARG 265 Cb 0.78 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 2jc3 h ARG 265 CO 0.06 0.05 -0.07 0.28 -1.07 0.00 0.00 179.97 179.23 2jc3 h VAL 266 N 0.08 0.81 -0.85 2.04 2.07 -1.14 -0.49 116.25 118.76 2jc3 h VAL 266 Ca 0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.60 2jc3 h VAL 266 Cb -0.00 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 2jc3 h VAL 266 CO -0.01 0.00 0.53 0.00 0.02 0.00 0.00 177.57 178.11 2jc3 h ALA 267 N 0.93 1.16 -0.43 1.67 0.00 -0.46 -0.37 119.26 121.77 2jc3 h ALA 267 Ca 0.04 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2jc3 h ALA 267 Cb 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2jc3 h ALA 267 CO -0.11 0.30 -0.06 0.00 0.00 0.00 0.00 179.25 179.38 2jc3 h ARG 268 N 0.99 0.79 0.00 0.00 3.08 -0.60 -2.97 114.38 115.68 2jc3 h ARG 268 Ca 0.36 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2jc3 h ARG 268 Cb 0.13 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2jc3 h ARG 268 CO -0.16 0.90 0.00 0.00 -1.07 0.00 0.00 179.97 179.64 2jc3 n ALA 269 N -2.44 2.43 -3.44 0.04 0.00 -0.22 -4.50 120.51 112.38 2jc3 n ALA 269 Ca -0.01 -0.13 -0.28 0.00 0.00 0.00 0.00 53.44 53.03 2jc3 n ALA 269 Cb 0.34 -1.48 -0.11 0.00 0.00 0.00 0.00 19.45 18.20 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 -2.71 0.36 0.23 0.00 2.01 -0.19 -5.07 115.64 110.27 2jc3 s THR 270 Ca 0.24 -2.35 -0.30 0.00 0.31 0.00 0.00 61.69 59.58 2jc3 s THR 270 Cb 0.20 -1.26 -0.15 0.00 0.01 0.00 0.00 72.50 71.30 2jc3 s THR 270 CO 0.48 -1.13 1.08 -2.65 -0.69 0.00 0.00 174.62 171.71 2jc3 n PRO 271 N 3.27 1.26 -0.72 4.92 -0.02 -1.26 -1.60 135.00 140.86 2jc3 n PRO 271 Ca 0.23 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2jc3 n PRO 271 Cb 0.43 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 1.66 1.41 3.77 -1.23 0.00 -1.01 -4.82 105.19 104.97 2jc3 n GLY 272 Ca 0.12 0.00 -0.40 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 -3.66 3.29 -0.71 4.61 0.00 -0.63 -4.65 121.76 120.02 2jc3 s ALA 273 Ca 0.00 1.31 -0.04 0.00 0.00 0.00 0.00 51.96 53.23 2jc3 s ALA 273 Cb 0.00 -3.52 0.18 0.00 0.00 0.00 0.00 23.12 19.79 2jc3 s ALA 273 CO 0.00 -0.91 0.56 0.42 0.00 0.00 0.00 175.76 175.83 2jc3 s ILE 274 N -1.23 4.10 0.04 0.00 -1.09 -1.26 -0.29 121.20 121.47 2jc3 s ILE 274 Ca 0.57 -3.10 -0.22 0.00 -2.23 0.00 0.00 60.65 55.67 2jc3 s ILE 274 Cb -0.40 -3.62 -0.06 0.00 -1.58 0.00 0.00 42.46 36.80 2jc3 s ILE 274 CO 0.52 -0.94 0.65 -0.69 -1.23 0.00 0.00 174.94 173.25 2jc3 s VAL 275 N -0.32 4.78 -0.13 2.92 1.01 0.41 -1.62 120.40 127.45 2jc3 s VAL 275 Ca 0.19 1.39 0.03 0.00 0.00 0.00 0.00 61.98 63.59 2jc3 s VAL 275 Cb -0.16 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.23 2jc3 s VAL 275 CO -0.06 0.44 -0.22 -0.69 0.00 0.00 0.00 175.10 174.56 2jc3 s VAL 276 N -0.39 2.04 0.09 2.92 1.01 -0.67 0.28 120.40 125.68 2jc3 s VAL 276 Ca 0.33 -0.98 0.10 0.00 0.00 0.00 0.00 61.98 61.43 2jc3 s VAL 276 Cb -0.19 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 2jc3 s VAL 276 CO 0.20 0.55 -0.25 0.00 0.00 0.00 0.00 175.10 175.60 2jc3 s ALA 277 N 0.70 2.17 -0.15 5.51 0.00 0.12 -0.44 121.76 129.67 2jc3 s ALA 277 Ca -0.10 -1.33 -0.22 0.00 0.00 0.00 0.00 51.96 50.31 2jc3 s ALA 277 Cb -0.16 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 2jc3 s ALA 277 CO 0.01 0.49 0.66 0.42 0.00 0.00 0.00 175.76 177.34 2jc3 s ILE 278 N -0.97 5.03 -0.37 0.00 -1.09 -1.08 -1.12 121.20 121.60 2jc3 s ILE 278 Ca 0.11 1.29 -0.14 0.00 -2.23 0.00 0.00 60.65 59.69 2jc3 s ILE 278 Cb -0.10 -3.98 -0.00 0.00 -1.58 0.00 0.00 42.46 36.79 2jc3 s ILE 278 CO 0.04 0.16 0.27 -0.63 -1.23 0.00 0.00 174.94 173.56 2jc3 s ILE 279 N 1.49 5.26 0.18 2.92 -1.09 -0.02 -4.75 121.20 125.19 2jc3 s ILE 279 Ca 0.32 -0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 2jc3 s ILE 279 Cb -0.16 -3.80 -0.10 0.00 -1.58 0.00 0.00 42.46 36.81 2jc3 s ILE 279 CO 0.13 -0.13 1.44 0.00 -1.23 0.00 0.00 174.94 175.15 2jc3 s ASP 281 N -6.95 -0.05 0.67 0.00 3.84 -1.26 -1.16 116.67 111.75 2jc3 s ASP 281 Ca -0.05 -1.04 -0.07 0.00 -0.00 0.00 0.00 52.55 51.40 2jc3 s ASP 281 Cb 0.11 0.83 0.04 0.00 -1.38 0.00 0.00 42.92 42.51 2jc3 s ASP 281 CO 0.83 -1.62 0.98 -0.13 -0.00 0.00 0.00 175.17 175.23 2jc3 s ARG 282 N -2.64 2.52 0.01 2.11 0.52 -1.22 -2.91 118.95 117.34 2jc3 s ARG 282 Ca 0.15 -0.09 0.28 0.00 -0.52 0.00 0.00 55.73 55.55 2jc3 s ARG 282 Cb -0.05 -2.19 1.10 0.00 0.52 0.00 0.00 34.95 34.33 2jc3 s ARG 282 CO 0.10 -1.03 1.84 0.41 0.02 0.00 0.00 175.30 176.65 2jc3 n GLY 283 N -2.82 -1.48 0.39 -3.53 0.00 -0.73 -3.56 105.19 93.47 2jc3 n GLY 283 Ca 0.07 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.48 0.04 1.61 3.32 -1.90 0.27 116.42 118.29 2jc3 h ASP 284 Ca 0.00 0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2jc3 h ASP 284 Cb 0.52 0.67 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2jc3 h ASP 284 CO 0.00 -0.33 0.00 0.54 -1.72 0.00 0.00 179.24 177.73 2jc3 n ARG 285 N -5.41 0.39 -0.00 3.56 1.74 -1.26 -1.84 116.66 113.83 2jc3 n ARG 285 Ca 0.02 0.03 0.10 0.00 -0.77 0.00 0.00 57.85 57.23 2jc3 n ARG 285 Cb 0.35 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.15 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 -1.05 0.00 -0.14 -1.55 4.01 0.08 -4.56 117.16 113.95 2jc3 n TYR 286 Ca 0.10 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.80 2jc3 n TYR 286 Cb 0.06 -0.22 0.03 0.00 -0.31 0.00 0.00 39.34 38.90 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 -0.39 0.00 7.72 3.38 -1.29 -0.82 115.31 123.92 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 0.71 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2jc3 h LEU 287 CO 0.00 -0.14 0.00 -1.54 0.09 0.00 0.00 178.44 176.85 2jc3 n SER 288 N -5.32 0.00 -0.30 -0.43 3.41 -1.26 -1.92 113.62 107.81 2jc3 n SER 288 Ca 0.04 0.50 0.13 0.00 -0.26 0.00 0.00 58.87 59.27 2jc3 n SER 288 Cb 0.24 -0.50 0.34 0.00 -0.26 0.00 0.00 64.21 64.04 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 -1.50 0.00 0.00 6.66 -2.24 -0.31 -4.96 114.28 111.93 2jc3 n THR 289 Ca 0.02 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2jc3 n THR 289 Cb 0.10 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 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 1.34 2.47 0.34 3.38 0.00 -0.81 -4.88 105.19 107.03 2jc3 n GLY 290 Ca 0.12 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.32 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 0.24 0.00 1.61 -1.51 -1.82 -3.30 116.25 111.47 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 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 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 -3.39 0.00 0.00 5.19 3.01 -1.26 -4.94 117.46 116.07 2jc3 n PHE 292 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2jc3 n PHE 292 Cb 0.33 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 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 4.56 -1.31 0.00 1.37 0.00 -1.26 -5.15 105.19 103.41 2jc3 n GLY 293 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jc3 n GLY 293 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11