#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj2 s LYS 2 N 0.00 3.45 -0.11 4.33 -0.14 -1.26 -4.98 119.74 121.03 1jj2 s LYS 2 Ca 0.00 1.09 0.05 0.00 -1.36 0.00 0.00 55.97 55.75 1jj2 s LYS 2 Cb 0.00 -2.06 -0.10 0.00 -1.68 0.00 0.00 37.83 33.99 1jj2 s LYS 2 CO 0.00 -0.70 -0.03 2.41 -0.76 0.00 0.00 175.35 176.27 1jj2 n THR 3 N -2.08 0.67 -2.19 2.17 -1.04 -1.26 -4.95 114.28 105.61 1jj2 n THR 3 Ca 0.08 -0.34 -0.43 0.00 -2.04 0.00 0.00 64.05 61.32 1jj2 n THR 3 Cb 0.53 -0.83 -0.02 0.00 -1.82 0.00 0.00 70.33 68.18 1jj2 n THR 3 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1jj2 s ASN 4 N -4.65 6.49 0.44 8.00 3.84 -1.26 -4.89 114.94 122.91 1jj2 s ASN 4 Ca -0.10 1.59 0.14 0.00 0.21 0.00 0.00 52.86 54.70 1jj2 s ASN 4 Cb 0.03 -2.53 0.96 0.00 -0.55 0.00 0.00 41.25 39.16 1jj2 s ASN 4 CO 0.34 -1.17 1.98 -0.65 -2.79 0.00 0.00 177.10 174.81 1jj2 h PRO 5 N 10.19 0.04 -0.03 0.43 0.11 -1.99 -1.77 132.00 138.97 1jj2 h PRO 5 Ca -0.32 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 1jj2 h PRO 5 Cb 1.14 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1jj2 h PRO 5 CO 1.00 0.21 -0.05 0.00 -0.21 0.00 0.00 178.00 178.96 1jj2 h ARG 6 N 0.04 0.09 -0.50 1.05 3.08 -1.99 -1.16 114.38 114.99 1jj2 h ARG 6 Ca 0.01 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.03 1jj2 h ARG 6 Cb 0.33 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1jj2 h ARG 6 CO 0.02 0.59 0.33 1.25 -1.07 0.00 0.00 179.97 181.09 1jj2 h LEU 7 N -0.40 0.50 -0.11 3.04 5.85 -1.92 0.11 115.31 122.38 1jj2 h LEU 7 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1jj2 h LEU 7 Cb 0.58 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1jj2 h LEU 7 CO 0.01 0.35 0.02 -1.28 -0.34 0.00 0.00 178.44 177.20 1jj2 h SER 8 N 0.58 0.17 -0.64 1.25 0.87 -1.17 -2.10 113.55 112.51 1jj2 h SER 8 Ca 0.20 -0.26 -0.07 0.00 -1.23 0.00 0.00 61.79 60.42 1jj2 h SER 8 Cb 0.07 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1jj2 h SER 8 CO -0.05 0.39 0.12 0.28 -0.53 0.00 0.00 176.83 177.04 1jj2 h SER 9 N -0.06 1.01 -0.41 6.23 0.02 -0.23 -2.12 113.55 117.99 1jj2 h SER 9 Ca 0.03 -0.23 0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1jj2 h SER 9 Cb 0.29 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 1jj2 h SER 9 CO 0.00 0.99 0.20 0.25 -1.14 0.00 0.00 176.83 177.13 1jj2 h LEU 10 N 1.00 0.29 -0.50 5.07 5.85 -0.72 -0.12 115.31 126.18 1jj2 h LEU 10 Ca 0.20 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1jj2 h LEU 10 Cb 0.40 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1jj2 h LEU 10 CO 0.01 0.21 0.27 0.40 -0.34 0.00 0.00 178.44 178.99 1jj2 h ILE 11 N 0.41 1.00 -0.25 4.05 2.04 -1.02 0.95 117.51 124.68 1jj2 h ILE 11 Ca 0.18 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 1jj2 h ILE 11 Cb 0.09 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1jj2 h ILE 11 CO -0.13 0.10 -0.21 0.00 0.00 0.00 0.00 178.15 177.90 1jj2 h ALA 12 N 1.25 1.16 -0.26 1.87 0.00 -0.92 -2.43 119.26 119.93 1jj2 h ALA 12 Ca 0.21 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 1jj2 h ALA 12 Cb 0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1jj2 h ALA 12 CO -0.13 0.53 -0.53 -0.44 0.00 0.00 0.00 179.25 178.69 1jj2 h ASP 13 N 0.42 0.83 -0.50 0.00 3.32 -0.26 -2.02 116.42 118.20 1jj2 h ASP 13 Ca 0.07 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.68 1jj2 h ASP 13 Cb 0.61 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1jj2 h ASP 13 CO 0.04 1.19 0.29 -0.07 -1.72 0.00 0.00 179.24 178.98 1jj2 h LEU 14 N 0.58 0.63 -0.09 1.55 3.38 -0.62 -2.34 115.31 118.39 1jj2 h LEU 14 Ca 0.02 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1jj2 h LEU 14 Cb 1.10 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1jj2 h LEU 14 CO 0.11 0.50 -0.19 0.11 0.09 0.00 0.00 178.44 179.06 1jj2 h LYS 15 N 0.72 0.30 -0.67 1.13 1.57 -1.20 -2.40 116.57 116.01 1jj2 h LYS 15 Ca 0.19 -0.19 0.12 0.00 -1.87 0.00 0.00 60.65 58.89 1jj2 h LYS 15 Cb 0.00 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1jj2 h LYS 15 CO -0.03 0.79 0.45 1.03 -0.57 0.00 0.00 179.45 181.12 1jj2 h SER 16 N -0.16 0.39 0.30 0.86 0.87 -1.10 -1.50 113.55 113.21 1jj2 h SER 16 Ca 0.00 0.01 -0.28 0.00 -1.23 0.00 0.00 61.79 60.29 1jj2 h SER 16 Cb 0.78 -0.07 0.02 0.00 -0.44 0.00 0.00 62.40 62.70 1jj2 h SER 16 CO 0.04 0.22 -1.21 0.00 -0.53 0.00 0.00 176.83 175.36 1jj2 h ALA 17 N 1.67 0.08 0.00 6.23 0.00 -1.38 -2.21 119.26 123.65 1jj2 h ALA 17 Ca 0.32 -0.79 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1jj2 h ALA 17 Cb 0.67 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1jj2 h ALA 17 CO -0.09 0.78 -0.28 0.00 0.00 0.00 0.00 179.25 179.66 1jj2 h ALA 18 N 0.44 0.99 0.00 0.00 0.00 -0.84 -2.05 119.26 117.80 1jj2 h ALA 18 Ca -0.16 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1jj2 h ALA 18 Cb 1.88 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 1jj2 h ALA 18 CO 0.22 0.35 -0.19 0.00 0.00 0.00 0.00 179.25 179.63 1jj2 h ARG 19 N 0.00 0.00 0.00 0.00 3.08 -1.35 -3.37 114.38 112.74 1jj2 h ARG 19 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jj2 h ARG 19 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1jj2 h ARG 19 CO 0.04 0.04 0.00 0.43 -1.07 0.00 0.00 179.97 179.41 1jj2 n SER 20 N -4.72 0.00 -4.46 7.04 7.64 -0.83 -4.73 113.62 113.57 1jj2 n SER 20 Ca -0.03 0.97 -0.29 0.00 1.01 0.00 0.00 58.87 60.53 1jj2 n SER 20 Cb 0.11 -0.47 0.21 0.00 -1.01 0.00 0.00 64.21 63.05 1jj2 n SER 20 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1jj2 s SER 21 N -2.01 1.74 0.00 6.43 0.01 -0.77 -4.89 113.70 114.21 1jj2 s SER 21 Ca 0.00 1.14 0.23 0.00 1.31 0.00 0.00 55.95 58.63 1jj2 s SER 21 Cb 0.00 -1.77 1.39 0.00 0.21 0.00 0.00 66.02 65.85 1jj2 s SER 21 CO 0.00 -3.67 1.82 0.61 0.41 0.00 0.00 173.24 172.41 1jj2 n GLY 22 N -0.52 -0.87 3.46 3.44 0.00 -1.26 -4.58 105.19 104.85 1jj2 n GLY 22 Ca 0.06 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1jj2 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jj2 n GLY 23 N 0.68 -1.46 0.00 -0.02 0.00 -1.19 -4.92 105.19 98.28 1jj2 n GLY 23 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1jj2 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jj2 n ALA 24 N -1.01 1.62 0.00 4.61 0.00 -1.26 -4.58 120.51 119.89 1jj2 n ALA 24 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.43 1jj2 n ALA 24 Cb 0.41 0.16 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 1jj2 n ALA 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1jj2 h VAL 25 N 0.00 1.16 -0.69 0.00 -1.51 -1.90 -2.01 116.25 111.30 1jj2 h VAL 25 Ca 0.00 -0.47 0.14 0.00 -1.23 0.00 0.00 66.70 65.13 1jj2 h VAL 25 Cb 0.57 1.39 -0.10 0.00 -2.13 0.00 0.00 31.29 31.02 1jj2 h VAL 25 CO 0.00 0.13 0.19 -0.50 -1.23 0.00 0.00 177.57 176.16 1jj2 h TRP 26 N -0.11 0.31 -0.28 5.19 -0.00 -1.86 0.79 115.95 119.99 1jj2 h TRP 26 Ca 0.02 0.04 -0.08 0.00 -0.00 0.00 0.00 58.89 58.86 1jj2 h TRP 26 Cb 0.19 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.16 29.31 1jj2 h TRP 26 CO -0.01 -0.02 -0.18 0.78 -0.00 0.00 0.00 178.44 179.00 1jj2 h GLY 27 N 0.31 0.54 0.91 1.49 0.00 -1.69 0.57 103.07 105.21 1jj2 h GLY 27 Ca 0.37 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.22 1jj2 h GLY 27 CO -0.44 0.38 -0.08 -1.80 0.00 0.00 0.00 176.54 174.60 1jj2 h ASP 28 N 0.46 0.63 -0.20 0.19 3.58 0.05 -1.56 116.42 119.57 1jj2 h ASP 28 Ca 0.08 -0.37 -0.10 0.00 0.42 0.00 0.00 57.03 57.06 1jj2 h ASP 28 Cb 0.58 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1jj2 h ASP 28 CO 0.04 0.85 -0.20 0.58 -2.88 0.00 0.00 179.24 177.63 1jj2 h VAL 29 N 0.40 1.26 -0.66 2.25 2.07 0.70 -2.61 116.25 119.66 1jj2 h VAL 29 Ca 0.08 -1.25 -0.06 0.00 0.82 0.00 0.00 66.70 66.29 1jj2 h VAL 29 Cb 0.58 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1jj2 h VAL 29 CO 0.03 0.41 0.18 0.00 0.02 0.00 0.00 177.57 178.21 1jj2 h ALA 30 N 1.22 0.86 -0.19 1.67 0.00 -0.64 -1.68 119.26 120.50 1jj2 h ALA 30 Ca 0.09 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1jj2 h ALA 30 Cb 0.66 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1jj2 h ALA 30 CO 0.05 0.56 -0.35 0.93 0.00 0.00 0.00 179.25 180.44 1jj2 h GLU 31 N 0.97 0.40 -0.02 0.00 5.08 -1.12 -2.08 114.58 117.81 1jj2 h GLU 31 Ca 0.21 -0.18 -0.17 0.00 -1.00 0.00 0.00 59.36 58.22 1jj2 h GLU 31 Cb 0.34 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1jj2 h GLU 31 CO -0.00 0.70 -0.75 -0.09 -1.00 0.00 0.00 179.01 177.87 1jj2 h ARG 32 N 0.34 0.16 0.00 2.33 9.65 -1.20 -2.78 114.38 122.88 1jj2 h ARG 32 Ca 0.04 -0.14 -0.09 0.00 -1.10 0.00 0.00 59.98 58.68 1jj2 h ARG 32 Cb 0.78 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.38 1jj2 h ARG 32 CO 0.06 0.84 -0.45 -0.07 2.80 0.00 0.00 179.97 183.15 1jj2 h LEU 33 N 0.10 0.00 -0.90 3.80 3.38 -1.16 -2.76 115.31 117.78 1jj2 h LEU 33 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1jj2 h LEU 33 Cb 1.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1jj2 h LEU 33 CO 0.11 0.45 -0.45 -0.33 0.09 0.00 0.00 178.44 178.30 1jj2 h GLU 34 N 0.00 0.00 -7.35 1.13 5.08 -1.18 -3.45 114.58 108.82 1jj2 h GLU 34 Ca -0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.85 1jj2 h GLU 34 Cb 1.04 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.41 1jj2 h GLU 34 CO 0.06 0.45 0.32 0.15 -1.00 0.00 0.00 179.01 178.99 1jj2 s LYS 35 N -3.64 2.20 0.21 2.33 1.02 -1.04 -4.95 119.74 115.88 1jj2 s LYS 35 Ca -0.01 0.91 -0.30 0.00 0.02 0.00 0.00 55.97 56.59 1jj2 s LYS 35 Cb 0.12 -1.91 -0.16 0.00 -0.52 0.00 0.00 37.83 35.36 1jj2 s LYS 35 CO 0.71 -1.61 0.85 -2.30 -0.92 0.00 0.00 175.35 172.08 1jj2 n PRO 36 N -3.47 0.68 -0.34 -1.68 -0.02 -1.26 -4.83 135.00 124.09 1jj2 n PRO 36 Ca 0.08 0.24 0.22 0.00 -2.02 0.00 0.00 63.50 62.01 1jj2 n PRO 36 Cb 0.54 -1.49 0.47 0.00 -0.02 0.00 0.00 33.50 33.00 1jj2 n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jj2 h ARG 37 N 1.92 0.43 0.00 -0.52 3.08 -1.92 0.11 114.38 117.48 1jj2 h ARG 37 Ca -0.36 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.66 1jj2 h ARG 37 Cb 1.39 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.34 1jj2 h ARG 37 CO 0.61 0.28 -0.00 0.07 -1.07 0.00 0.00 179.97 179.86 1jj2 h ARG 38 N 0.44 0.00 0.00 0.04 0.11 -2.00 -1.68 114.38 111.29 1jj2 h ARG 38 Ca 0.63 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.71 1jj2 h ARG 38 Cb 1.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.55 1jj2 h ARG 38 CO -0.39 0.00 -0.83 0.25 0.10 0.00 0.00 179.97 179.10 1jj2 n THR 39 N -3.17 0.13 -1.71 0.08 -2.24 0.40 -4.94 114.28 102.83 1jj2 n THR 39 Ca -0.03 -0.16 -0.36 0.00 -2.27 0.00 0.00 64.05 61.24 1jj2 n THR 39 Cb 0.09 0.26 0.07 0.00 -2.10 0.00 0.00 70.33 68.65 1jj2 n THR 39 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1jj2 s HIS 40 N -3.12 2.10 0.47 4.78 3.76 -0.63 -4.94 115.29 117.71 1jj2 s HIS 40 Ca 0.06 1.51 -0.22 0.00 -0.15 0.00 0.00 55.06 56.26 1jj2 s HIS 40 Cb 0.15 -3.62 -0.07 0.00 1.11 0.00 0.00 32.58 30.15 1jj2 s HIS 40 CO 0.77 -2.77 1.16 0.00 -0.85 0.00 0.00 174.74 173.05 1jj2 s ALA 41 N -1.54 2.94 -0.32 -1.40 0.00 -1.11 -4.92 121.76 115.40 1jj2 s ALA 41 Ca 0.80 0.92 -0.02 0.00 0.00 0.00 0.00 51.96 53.66 1jj2 s ALA 41 Cb -0.35 -3.38 0.12 0.00 0.00 0.00 0.00 23.12 19.52 1jj2 s ALA 41 CO 0.40 -0.67 0.18 -1.21 0.00 0.00 0.00 175.76 174.47 1jj2 s GLU 42 N -2.77 0.38 -0.09 0.00 2.02 -1.25 -0.65 118.70 116.33 1jj2 s GLU 42 Ca 0.65 -0.91 -0.00 0.00 0.02 0.00 0.00 54.97 54.73 1jj2 s GLU 42 Cb -0.28 -1.19 -0.03 0.00 0.10 0.00 0.00 34.13 32.74 1jj2 s GLU 42 CO 0.34 -1.12 -0.07 0.08 0.02 0.00 0.00 175.26 174.50 1jj2 s VAL 43 N 1.59 3.62 0.52 2.63 1.01 -0.45 -4.92 120.40 124.40 1jj2 s VAL 43 Ca 0.14 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1jj2 s VAL 43 Cb -0.19 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1jj2 s VAL 43 CO -0.17 0.57 0.74 0.20 0.00 0.00 0.00 175.10 176.43 1jj2 s ASN 44 N -0.41 5.46 0.44 3.32 0.01 -1.26 0.16 114.94 122.66 1jj2 s ASN 44 Ca 0.06 0.07 0.13 0.00 -0.71 0.00 0.00 52.86 52.41 1jj2 s ASN 44 Cb -0.12 -1.08 0.97 0.00 0.41 0.00 0.00 41.25 41.43 1jj2 s ASN 44 CO 0.02 -0.99 2.00 -0.07 -1.51 0.00 0.00 177.10 176.55 1jj2 h LEU 45 N 0.19 0.10 -1.77 0.60 3.38 -0.76 -2.95 115.31 114.10 1jj2 h LEU 45 Ca -0.43 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.59 1jj2 h LEU 45 Cb 1.28 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1jj2 h LEU 45 CO 0.54 0.22 0.29 1.23 0.09 0.00 0.00 178.44 180.81 1jj2 h GLY 46 N 0.52 0.35 1.48 0.83 0.00 -1.75 -0.94 103.07 103.56 1jj2 h GLY 46 Ca 0.02 -0.11 -0.30 0.00 0.00 0.00 0.00 47.33 46.94 1jj2 h GLY 46 CO 0.02 0.08 -1.34 -0.09 0.00 0.00 0.00 176.54 175.20 1jj2 h ARG 47 N 0.28 0.38 -0.49 4.80 2.43 -1.86 -2.84 114.38 117.09 1jj2 h ARG 47 Ca 0.19 -0.65 -0.03 0.00 -0.81 0.00 0.00 59.98 58.68 1jj2 h ARG 47 Cb 0.41 0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 1jj2 h ARG 47 CO -0.04 1.31 0.19 0.82 -1.51 0.00 0.00 179.97 180.74 1jj2 h ILE 48 N 0.10 1.21 -0.21 1.20 2.04 -1.47 -2.53 117.51 117.86 1jj2 h ILE 48 Ca -0.19 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 1jj2 h ILE 48 Cb 2.05 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 1jj2 h ILE 48 CO 0.23 0.25 -0.02 -0.08 0.00 0.00 0.00 178.15 178.54 1jj2 h GLU 49 N 0.65 0.30 0.04 2.37 4.57 -1.26 -0.96 114.58 120.29 1jj2 h GLU 49 Ca 0.16 -0.05 -0.22 0.00 -1.18 0.00 0.00 59.36 58.07 1jj2 h GLU 49 Cb 0.21 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1jj2 h GLU 49 CO -0.01 0.35 -1.02 -0.09 -1.18 0.00 0.00 179.01 177.06 1jj2 h ARG 50 N 0.30 0.13 -0.01 1.92 2.43 -1.21 -3.38 114.38 114.55 1jj2 h ARG 50 Ca 0.07 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1jj2 h ARG 50 Cb 0.23 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1jj2 h ARG 50 CO 0.01 1.03 0.00 0.66 -1.51 0.00 0.00 179.97 180.16 1jj2 n TYR 51 N -3.50 0.01 -3.21 2.20 4.02 -0.99 -5.04 117.16 110.66 1jj2 n TYR 51 Ca -0.03 -0.15 -0.24 0.00 -0.01 0.00 0.00 57.90 57.47 1jj2 n TYR 51 Cb 0.91 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 40.21 1jj2 n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jj2 s ALA 52 N -0.36 3.67 -0.01 -0.72 0.00 -0.37 -5.08 121.76 118.88 1jj2 s ALA 52 Ca 0.02 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 51.04 1jj2 s ALA 52 Cb 0.01 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.96 1jj2 s ALA 52 CO 0.01 -0.13 0.11 1.14 0.00 0.00 0.00 175.76 176.90 1jj2 s GLN 53 N -4.42 0.34 0.55 0.00 -2.07 -1.26 -4.96 119.66 107.84 1jj2 s GLN 53 Ca 0.42 -0.22 -0.22 0.00 -1.82 0.00 0.00 55.36 53.53 1jj2 s GLN 53 Cb -0.10 0.14 -0.05 0.00 -1.09 0.00 0.00 33.01 31.92 1jj2 s GLN 53 CO 0.38 -0.07 1.37 0.39 -1.32 0.00 0.00 175.29 176.03 1jj2 n GLU 54 N 2.03 1.70 -1.00 9.60 1.02 -1.26 -2.71 120.64 130.03 1jj2 n GLU 54 Ca -0.19 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1jj2 n GLU 54 Cb 0.57 -2.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.40 1jj2 n GLU 54 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1jj2 n ASP 55 N -1.03 -4.17 -3.95 1.62 8.00 -1.26 -4.97 116.55 110.78 1jj2 n ASP 55 Ca 0.10 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.31 1jj2 n ASP 55 Cb 0.45 -1.68 -0.16 0.00 -0.02 0.00 0.00 41.12 39.71 1jj2 n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1jj2 s GLU 56 N -0.78 1.76 -0.03 -1.24 2.12 -1.10 -4.97 118.70 114.46 1jj2 s GLU 56 Ca 0.00 -0.73 -0.30 0.00 0.36 0.00 0.00 54.97 54.30 1jj2 s GLU 56 Cb 0.00 -2.28 -0.05 0.00 0.26 0.00 0.00 34.13 32.06 1jj2 s GLU 56 CO 0.00 -0.45 1.47 0.99 -0.54 0.00 0.00 175.26 176.74 1jj2 s THR 57 N 1.49 3.69 0.02 -1.70 2.01 -0.49 -4.61 115.64 116.06 1jj2 s THR 57 Ca -0.01 1.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.69 1jj2 s THR 57 Cb -0.16 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1jj2 s THR 57 CO -0.08 -0.04 1.04 -0.69 -0.69 0.00 0.00 174.62 174.17 1jj2 s VAL 58 N 3.02 4.61 -0.22 3.82 1.01 -0.25 -0.68 120.40 131.71 1jj2 s VAL 58 Ca 0.66 1.89 0.02 0.00 0.00 0.00 0.00 61.98 64.55 1jj2 s VAL 58 Cb -0.31 -4.21 0.04 0.00 0.00 0.00 0.00 36.38 31.90 1jj2 s VAL 58 CO 0.26 0.15 -0.14 -0.69 0.00 0.00 0.00 175.10 174.68 1jj2 s VAL 59 N 0.98 2.06 -0.37 2.92 1.01 0.25 -0.27 120.40 126.97 1jj2 s VAL 59 Ca 0.54 -1.30 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 1jj2 s VAL 59 Cb -0.24 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.10 1jj2 s VAL 59 CO 0.28 0.21 0.25 -0.69 0.00 0.00 0.00 175.10 175.15 1jj2 s VAL 60 N 1.21 5.11 -0.31 2.92 1.01 0.39 -1.53 120.40 129.21 1jj2 s VAL 60 Ca -0.03 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1jj2 s VAL 60 Cb -0.17 -3.75 -0.20 0.00 0.00 0.00 0.00 36.38 32.26 1jj2 s VAL 60 CO -0.08 -0.16 3.13 -0.81 0.00 0.00 0.00 175.10 177.18 1jj2 n PRO 61 N 5.10 2.08 0.00 2.72 -0.04 -1.26 -3.81 135.00 139.79 1jj2 n PRO 61 Ca -0.12 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.22 1jj2 n PRO 61 Cb 0.48 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 1jj2 n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jj2 n GLY 62 N 2.79 -0.53 3.19 0.55 0.00 -1.26 -2.75 105.19 107.18 1jj2 n GLY 62 Ca 0.45 0.35 -0.24 0.00 0.00 0.00 0.00 46.02 46.58 1jj2 n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jj2 s LYS 63 N 0.00 1.27 -0.22 1.61 2.20 0.18 -0.77 119.74 124.01 1jj2 s LYS 63 Ca 0.00 -0.78 -0.10 0.00 -0.36 0.00 0.00 55.97 54.73 1jj2 s LYS 63 Cb 0.00 -1.30 -0.05 0.00 -1.51 0.00 0.00 37.83 34.97 1jj2 s LYS 63 CO 0.00 0.34 0.14 0.08 -0.36 0.00 0.00 175.35 175.55 1jj2 s VAL 64 N -0.67 5.32 0.24 4.02 1.01 -0.65 -1.34 120.40 128.33 1jj2 s VAL 64 Ca 0.06 0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.27 1jj2 s VAL 64 Cb -0.08 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1jj2 s VAL 64 CO 0.01 0.38 0.14 -0.76 0.00 0.00 0.00 175.10 174.87 1jj2 s LEU 65 N 0.79 3.67 -0.02 3.92 1.43 0.42 -1.78 118.68 127.11 1jj2 s LEU 65 Ca 0.07 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 1jj2 s LEU 65 Cb -0.13 -2.22 0.09 0.00 0.03 0.00 0.00 46.19 43.96 1jj2 s LEU 65 CO 0.02 -0.01 0.75 0.61 0.23 0.00 0.00 176.35 177.95 1jj2 n GLY 66 N -0.93 1.07 3.82 -3.19 0.00 -1.26 -2.63 105.19 102.07 1jj2 n GLY 66 Ca -0.08 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1jj2 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jj2 s SER 67 N -0.32 6.98 0.00 1.61 0.01 -1.26 -4.80 113.70 115.92 1jj2 s SER 67 Ca 0.06 1.46 0.00 0.00 1.31 0.00 0.00 55.95 58.78 1jj2 s SER 67 Cb 0.04 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1jj2 s SER 67 CO 0.02 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.17 1jj2 n GLY 68 N 0.15 -2.75 3.20 3.44 0.00 -1.26 -0.87 105.19 107.10 1jj2 n GLY 68 Ca 0.01 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 1jj2 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jj2 s VAL 69 N -0.61 1.75 -0.13 1.61 1.01 -1.26 -4.73 120.40 118.04 1jj2 s VAL 69 Ca 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1jj2 s VAL 69 Cb 0.00 -1.50 -0.00 0.00 0.00 0.00 0.00 36.38 34.88 1jj2 s VAL 69 CO 0.00 0.49 -0.18 -0.22 0.00 0.00 0.00 175.10 175.20 1jj2 s LEU 70 N -0.01 2.40 -0.02 3.92 2.96 -1.26 -4.49 118.68 122.17 1jj2 s LEU 70 Ca -0.05 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 1jj2 s LEU 70 Cb -0.13 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 1jj2 s LEU 70 CO 0.03 0.13 -0.01 0.00 -1.32 0.00 0.00 176.35 175.18 1jj2 n GLN 71 N 3.78 1.30 -1.63 1.98 6.02 -1.26 -4.88 117.38 122.69 1jj2 n GLN 71 Ca -0.19 0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.40 1jj2 n GLN 71 Cb 0.52 -1.05 0.02 0.00 1.02 0.00 0.00 30.24 30.75 1jj2 n GLN 71 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1jj2 n LYS 72 N -2.40 1.39 -2.75 -1.09 5.02 -1.26 -4.87 118.16 112.20 1jj2 n LYS 72 Ca -0.04 0.50 -0.43 0.00 -2.02 0.00 0.00 58.31 56.32 1jj2 n LYS 72 Cb 0.55 -2.12 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 1jj2 n LYS 72 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1jj2 n ASP 73 N 0.29 5.22 -4.68 4.39 2.03 -1.26 -4.58 116.55 117.96 1jj2 n ASP 73 Ca 0.09 -3.04 -0.23 0.00 0.52 0.00 0.00 54.79 52.13 1jj2 n ASP 73 Cb 0.40 -1.52 -0.07 0.00 -0.72 0.00 0.00 41.12 39.21 1jj2 n ASP 73 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1jj2 s VAL 74 N 0.94 3.25 -0.25 5.18 -7.23 -1.26 -4.58 120.40 116.45 1jj2 s VAL 74 Ca 0.41 -1.82 -0.08 0.00 -1.81 0.00 0.00 61.98 58.68 1jj2 s VAL 74 Cb 0.02 -2.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 1jj2 s VAL 74 CO 0.00 -0.29 0.10 -0.89 -0.31 0.00 0.00 175.10 173.72 1jj2 s THR 75 N -2.37 4.63 -0.15 5.32 2.01 -1.26 -1.87 115.64 121.95 1jj2 s THR 75 Ca 0.34 -0.06 -0.03 0.00 0.31 0.00 0.00 61.69 62.24 1jj2 s THR 75 Cb -0.04 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 1jj2 s THR 75 CO 0.21 0.33 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.73 1jj2 s VAL 76 N 1.49 3.78 -0.17 3.82 1.01 -0.24 -1.09 120.40 129.01 1jj2 s VAL 76 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1jj2 s VAL 76 Cb -0.15 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.59 1jj2 s VAL 76 CO 0.05 0.50 -0.16 0.00 0.00 0.00 0.00 175.10 175.49 1jj2 s ALA 77 N 0.35 2.45 0.24 5.51 0.00 0.62 0.07 121.76 130.99 1jj2 s ALA 77 Ca -0.05 -1.14 -0.02 0.00 0.00 0.00 0.00 51.96 50.75 1jj2 s ALA 77 Cb -0.14 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 1jj2 s ALA 77 CO 0.03 -0.21 0.24 0.00 0.00 0.00 0.00 175.76 175.82 1jj2 s ALA 78 N 1.10 0.97 0.22 0.00 0.00 -1.03 -0.46 121.76 122.56 1jj2 s ALA 78 Ca 0.00 -1.58 -0.04 0.00 0.00 0.00 0.00 51.96 50.34 1jj2 s ALA 78 Cb -0.14 1.33 0.22 0.00 0.00 0.00 0.00 23.12 24.52 1jj2 s ALA 78 CO -0.06 -0.66 1.66 0.28 0.00 0.00 0.00 175.76 176.98 1jj2 h VAL 79 N 2.46 1.26 -2.21 0.00 2.07 -1.05 -2.70 116.25 116.08 1jj2 h VAL 79 Ca -0.32 -1.25 0.13 0.00 0.82 0.00 0.00 66.70 66.08 1jj2 h VAL 79 Cb 1.25 1.12 -0.15 0.00 -1.52 0.00 0.00 31.29 31.99 1jj2 h VAL 79 CO 0.47 0.42 0.52 -0.62 0.02 0.00 0.00 177.57 178.39 1jj2 s ASP 80 N -6.72 -0.32 0.08 0.57 2.15 -1.21 -4.82 116.67 106.39 1jj2 s ASP 80 Ca -0.09 -0.04 0.05 0.00 0.43 0.00 0.00 52.55 52.90 1jj2 s ASP 80 Cb 0.13 0.37 -0.03 0.00 -0.30 0.00 0.00 42.92 43.09 1jj2 s ASP 80 CO 0.83 -0.61 -0.14 -0.36 -0.17 0.00 0.00 175.17 174.72 1jj2 s PHE 81 N -3.07 1.25 0.89 -5.34 0.40 -1.26 -1.63 117.98 109.23 1jj2 s PHE 81 Ca 0.06 -0.47 -0.12 0.00 -0.60 0.00 0.00 56.93 55.80 1jj2 s PHE 81 Cb -0.01 -0.70 0.13 0.00 0.51 0.00 0.00 43.02 42.95 1jj2 s PHE 81 CO -0.08 0.07 1.12 -1.54 0.70 0.00 0.00 175.22 175.49 1jj2 s SER 82 N -1.83 3.61 0.24 1.36 1.04 -0.73 -4.82 113.70 112.56 1jj2 s SER 82 Ca -0.00 1.14 -0.07 0.00 0.48 0.00 0.00 55.95 57.49 1jj2 s SER 82 Cb -0.09 -1.78 0.22 0.00 0.10 0.00 0.00 66.02 64.47 1jj2 s SER 82 CO 0.02 -2.50 1.86 1.23 0.98 0.00 0.00 173.24 174.83 1jj2 h GLY 83 N -1.46 1.36 1.13 7.32 0.00 -2.00 -2.43 103.07 106.98 1jj2 h GLY 83 Ca -0.50 -0.60 -0.18 0.00 0.00 0.00 0.00 47.33 46.04 1jj2 h GLY 83 CO 0.60 0.58 -0.53 -0.84 0.00 0.00 0.00 176.54 176.35 1jj2 h THR 84 N 1.28 1.28 0.26 4.70 2.02 -1.96 -2.85 112.91 117.64 1jj2 h THR 84 Ca 0.32 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 65.79 1jj2 h THR 84 Cb 0.01 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1jj2 h THR 84 CO -0.05 0.56 -0.23 0.00 0.37 0.00 0.00 175.52 176.17 1jj2 h ALA 85 N 0.67 -0.49 -0.15 6.16 0.00 -1.81 -0.88 119.26 122.77 1jj2 h ALA 85 Ca 0.01 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1jj2 h ALA 85 Cb 1.14 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1jj2 h ALA 85 CO 0.12 -0.80 0.12 1.49 0.00 0.00 0.00 179.25 180.18 1jj2 h GLU 86 N -0.51 0.00 0.04 0.00 4.81 -1.49 -0.51 114.58 116.92 1jj2 h GLU 86 Ca -0.01 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 1jj2 h GLU 86 Cb 0.46 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.85 1jj2 h GLU 86 CO -0.03 0.00 -0.54 1.15 -0.73 0.00 0.00 179.01 178.86 1jj2 h THR 87 N 0.00 1.51 -0.66 0.32 2.02 -1.13 -2.70 112.91 112.26 1jj2 h THR 87 Ca 0.07 -2.21 -0.08 0.00 0.77 0.00 0.00 66.41 64.96 1jj2 h THR 87 Cb 0.31 2.89 -0.03 0.00 -1.74 0.00 0.00 68.15 69.58 1jj2 h THR 87 CO -0.00 0.62 0.09 0.11 0.37 0.00 0.00 175.52 176.71 1jj2 h LYS 88 N -0.35 1.11 -0.56 6.66 1.57 -0.65 -3.07 116.57 121.29 1jj2 h LYS 88 Ca -0.08 -0.31 -0.11 0.00 -1.87 0.00 0.00 60.65 58.28 1jj2 h LYS 88 Cb 1.32 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 1jj2 h LYS 88 CO 0.10 1.03 -0.06 0.82 -0.57 0.00 0.00 179.45 180.77 1jj2 h ILE 89 N 1.03 1.27 0.00 1.86 2.04 -1.20 -2.86 117.51 119.65 1jj2 h ILE 89 Ca 0.20 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1jj2 h ILE 89 Cb 0.47 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1jj2 h ILE 89 CO 0.02 0.43 0.00 0.47 0.00 0.00 0.00 178.15 179.07 1jj2 n ASP 90 N -4.18 0.00 0.07 1.72 8.00 -1.02 0.51 116.55 121.64 1jj2 n ASP 90 Ca 0.02 0.40 -0.06 0.00 0.71 0.00 0.00 54.79 55.85 1jj2 n ASP 90 Cb 0.38 -0.45 -0.10 0.00 -0.02 0.00 0.00 41.12 40.92 1jj2 n ASP 90 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1jj2 h GLN 91 N 0.00 0.00 0.00 -1.24 4.20 -1.42 -3.37 115.11 113.29 1jj2 h GLN 91 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jj2 h GLN 91 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1jj2 h GLN 91 CO 0.00 0.95 -0.21 1.33 -0.67 0.00 0.00 178.83 180.23 1jj2 n VAL 92 N -3.36 0.00 0.00 -0.54 0.24 -1.06 -5.09 118.33 108.53 1jj2 n VAL 92 Ca 0.00 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 1jj2 n VAL 92 Cb 0.92 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 34.18 1jj2 n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jj2 n GLY 93 N 1.30 3.71 3.19 7.63 0.00 0.18 -4.06 105.19 117.14 1jj2 n GLY 93 Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 1jj2 n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jj2 s GLU 94 N 4.11 0.31 -0.18 1.61 2.12 -0.78 -4.34 118.70 121.55 1jj2 s GLU 94 Ca 0.00 0.74 -0.15 0.00 0.36 0.00 0.00 54.97 55.91 1jj2 s GLU 94 Cb 0.00 -0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.33 1jj2 s GLU 94 CO 0.00 -0.18 0.37 0.00 -0.54 0.00 0.00 175.26 174.91 1jj2 s ALA 95 N 1.56 3.56 0.04 6.30 0.00 -1.26 -1.08 121.76 130.88 1jj2 s ALA 95 Ca -0.08 -0.47 0.04 0.00 0.00 0.00 0.00 51.96 51.45 1jj2 s ALA 95 Cb -0.10 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.45 1jj2 s ALA 95 CO -0.11 -0.14 -0.12 0.08 0.00 0.00 0.00 175.76 175.46 1jj2 s VAL 96 N 0.97 0.94 0.39 0.00 1.01 0.11 -4.95 120.40 118.87 1jj2 s VAL 96 Ca 0.19 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 60.97 1jj2 s VAL 96 Cb -0.14 -0.88 -0.11 0.00 0.00 0.00 0.00 36.38 35.26 1jj2 s VAL 96 CO 0.07 -0.08 0.95 -0.94 0.00 0.00 0.00 175.10 175.10 1jj2 s SER 97 N -1.18 7.06 0.64 3.32 1.04 -1.26 -2.45 113.70 120.87 1jj2 s SER 97 Ca -0.01 1.75 0.38 0.00 0.48 0.00 0.00 55.95 58.56 1jj2 s SER 97 Cb -0.08 -2.55 2.15 0.00 0.10 0.00 0.00 66.02 65.64 1jj2 s SER 97 CO 0.01 -0.27 2.30 0.25 0.98 0.00 0.00 173.24 176.51 1jj2 h LEU 98 N 2.35 0.00 -0.55 2.42 5.85 -1.80 0.81 115.31 124.39 1jj2 h LEU 98 Ca -0.48 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.09 1jj2 h LEU 98 Cb 1.19 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1jj2 h LEU 98 CO 0.62 0.00 -0.72 -0.33 -0.34 0.00 0.00 178.44 177.68 1jj2 h GLU 99 N 0.00 0.00 0.25 1.25 3.07 -1.91 -2.31 114.58 114.93 1jj2 h GLU 99 Ca 0.01 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 58.54 1jj2 h GLU 99 Cb 0.07 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 28.02 1jj2 h GLU 99 CO -0.00 0.72 -1.43 1.96 -1.40 0.00 0.00 179.01 178.85 1jj2 h GLN 100 N 0.00 0.53 0.04 2.33 4.20 -1.26 -3.23 115.11 117.73 1jj2 h GLN 100 Ca -0.01 -0.90 0.03 0.00 0.06 0.00 0.00 58.65 57.83 1jj2 h GLN 100 Cb 1.28 0.34 -0.04 0.00 0.30 0.00 0.00 27.48 29.35 1jj2 h GLN 100 CO 0.09 1.43 -0.27 0.00 -0.67 0.00 0.00 178.83 179.42 1jj2 h ALA 101 N 0.15 -0.40 -0.76 3.87 0.00 -1.24 0.46 119.26 121.34 1jj2 h ALA 101 Ca -0.25 -0.02 0.22 0.00 0.00 0.00 0.00 54.91 54.86 1jj2 h ALA 101 Cb 2.13 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 20.35 1jj2 h ALA 101 CO 0.27 -0.78 0.56 0.82 0.00 0.00 0.00 179.25 180.12 1jj2 h ILE 102 N -0.43 0.58 0.08 0.00 2.04 -1.51 0.09 117.51 118.36 1jj2 h ILE 102 Ca 0.05 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.73 1jj2 h ILE 102 Cb 0.50 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1jj2 h ILE 102 CO -0.21 0.00 -0.89 -0.08 0.00 0.00 0.00 178.15 176.97 1jj2 h GLU 103 N 0.00 0.17 0.00 2.37 4.81 -1.04 -2.59 114.58 118.30 1jj2 h GLU 103 Ca 0.36 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1jj2 h GLU 103 Cb 1.48 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.97 1jj2 h GLU 103 CO -0.00 1.14 0.00 0.09 -0.73 0.00 0.00 179.01 179.50 1jj2 n ASN 104 N -4.21 0.00 -2.73 1.04 3.02 -0.04 -4.29 115.26 108.05 1jj2 n ASN 104 Ca -0.19 -0.21 -0.07 0.00 -0.03 0.00 0.00 54.58 54.07 1jj2 n ASN 104 Cb 0.75 -0.24 0.06 0.00 -0.61 0.00 0.00 39.78 39.74 1jj2 n ASN 104 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1jj2 n ASN 105 N -1.24 -2.43 0.18 6.41 5.15 -0.02 -5.00 115.26 118.31 1jj2 n ASN 105 Ca 0.14 -2.95 0.13 0.00 -0.60 0.00 0.00 54.58 51.30 1jj2 n ASN 105 Cb 0.19 1.57 0.62 0.00 -0.53 0.00 0.00 39.78 41.63 1jj2 n ASN 105 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1jj2 h PRO 106 N 3.65 0.00 0.00 1.20 0.13 -1.64 -1.17 132.00 134.16 1jj2 h PRO 106 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1jj2 h PRO 106 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1jj2 h PRO 106 CO 0.18 0.00 -0.23 0.39 -0.23 0.00 0.00 178.00 178.11 1jj2 n GLU 107 N -2.45 0.12 -3.56 0.86 4.71 -1.26 -3.90 120.64 115.16 1jj2 n GLU 107 Ca 0.00 0.07 -0.24 0.00 -0.01 0.00 0.00 57.16 56.98 1jj2 n GLU 107 Cb 0.16 -1.61 0.05 0.00 -1.01 0.00 0.00 31.44 29.03 1jj2 n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jj2 n GLY 108 N 1.42 -0.86 3.80 0.62 0.00 -0.44 -3.16 105.19 106.58 1jj2 n GLY 108 Ca 0.06 0.41 -0.26 0.00 0.00 0.00 0.00 46.02 46.22 1jj2 n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jj2 s SER 109 N -3.68 5.55 -1.28 1.61 1.04 -1.26 -4.61 113.70 111.07 1jj2 s SER 109 Ca 0.35 -0.11 -0.02 0.00 0.48 0.00 0.00 55.95 56.64 1jj2 s SER 109 Cb -0.09 -1.46 -0.00 0.00 0.10 0.00 0.00 66.02 64.56 1jj2 s SER 109 CO 0.81 0.07 0.70 1.41 0.98 0.00 0.00 173.24 177.22 1jj2 n HIS 110 N -0.31 -1.92 -4.52 5.02 8.25 -1.26 -4.85 115.22 115.62 1jj2 n HIS 110 Ca -0.08 0.80 -0.26 0.00 -0.26 0.00 0.00 57.72 57.91 1jj2 n HIS 110 Cb 0.54 -4.25 -0.13 0.00 1.12 0.00 0.00 29.99 27.27 1jj2 n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1jj2 s VAL 111 N -3.65 1.87 -0.17 1.59 0.11 -1.26 -1.39 120.40 117.50 1jj2 s VAL 111 Ca 0.07 -1.45 -0.01 0.00 -2.93 0.00 0.00 61.98 57.66 1jj2 s VAL 111 Cb -0.02 -1.65 0.04 0.00 -1.53 0.00 0.00 36.38 33.22 1jj2 s VAL 111 CO 0.82 0.12 -0.04 -0.60 -3.33 0.00 0.00 175.10 172.07 1jj2 s ARG 112 N -1.59 1.35 -0.00 1.54 6.06 0.15 -4.92 118.95 121.54 1jj2 s ARG 112 Ca 0.09 -0.52 -0.30 0.00 -2.50 0.00 0.00 55.73 52.50 1jj2 s ARG 112 Cb -0.10 -2.01 -0.03 0.00 0.06 0.00 0.00 34.95 32.87 1jj2 s ARG 112 CO 0.03 -0.45 1.05 0.08 -2.50 0.00 0.00 175.30 173.51 1jj2 s VAL 113 N 1.65 4.61 -0.06 7.11 1.01 -1.26 -0.58 120.40 132.87 1jj2 s VAL 113 Ca 0.00 1.87 0.02 0.00 0.00 0.00 0.00 61.98 63.88 1jj2 s VAL 113 Cb -0.16 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.04 1jj2 s VAL 113 CO -0.08 0.12 -0.12 -0.63 0.00 0.00 0.00 175.10 174.40 1jj2 s ILE 114 N 1.24 1.07 0.00 2.22 -1.09 -0.58 -4.91 121.20 119.15 1jj2 s ILE 114 Ca 0.53 -0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.50 1jj2 s ILE 114 Cb -0.23 -0.98 0.00 0.00 -1.58 0.00 0.00 42.46 39.67 1jj2 s ILE 114 CO 0.27 0.34 0.12 -2.11 -1.23 0.00 0.00 174.94 172.32