#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jdt n PRO 3 N 0.00 1.50 0.00 3.52 -0.02 -1.26 -4.92 135.00 133.82 1jdt n PRO 3 Ca 0.00 0.53 0.09 0.00 -2.02 0.00 0.00 63.50 62.10 1jdt n PRO 3 Cb 0.00 -2.09 -0.01 0.00 -0.02 0.00 0.00 33.50 31.38 1jdt n PRO 3 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1jdt n VAL 4 N 1.68 0.00 -0.07 -1.45 0.24 -1.26 -4.64 118.33 112.84 1jdt n VAL 4 Ca 0.14 -0.31 -0.14 0.00 -2.04 0.00 0.00 64.34 61.99 1jdt n VAL 4 Cb 0.27 1.20 -0.05 0.00 -1.47 0.00 0.00 33.84 33.80 1jdt n VAL 4 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1jdt n HIS 5 N -0.13 0.00 -3.23 6.34 8.25 -1.26 -4.89 115.22 120.30 1jdt n HIS 5 Ca 0.07 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.09 1jdt n HIS 5 Cb 0.37 -0.47 -0.07 0.00 1.12 0.00 0.00 29.99 30.94 1jdt n HIS 5 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1jdt s ILE 6 N -2.24 4.99 -0.71 1.59 -1.09 -1.26 -4.55 121.20 117.93 1jdt s ILE 6 Ca -0.18 -0.66 -0.02 0.00 -2.23 0.00 0.00 60.65 57.56 1jdt s ILE 6 Cb 0.07 -4.23 0.33 0.00 -1.58 0.00 0.00 42.46 37.05 1jdt s ILE 6 CO 0.23 -0.72 2.13 0.18 -1.23 0.00 0.00 174.94 175.53 1jdt n LEU 7 N 5.85 7.39 -4.87 2.97 4.77 -1.26 -4.68 117.00 127.17 1jdt n LEU 7 Ca -0.08 -4.49 -0.31 0.00 -0.03 0.00 0.00 56.01 51.10 1jdt n LEU 7 Cb 0.45 -1.06 -0.05 0.00 -2.33 0.00 0.00 43.42 40.43 1jdt n LEU 7 CO 0.52 1.64 0.36 0.00 -1.33 0.00 0.00 177.39 178.57 1jdt s ALA 8 N -3.56 3.41 0.54 -1.18 0.00 -1.26 -4.86 121.76 114.85 1jdt s ALA 8 Ca 0.55 -0.16 -0.18 0.00 0.00 0.00 0.00 51.96 52.17 1jdt s ALA 8 Cb 0.44 -2.63 -0.06 0.00 0.00 0.00 0.00 23.12 20.87 1jdt s ALA 8 CO -0.25 0.26 1.05 0.15 0.00 0.00 0.00 175.76 176.97 1jdt s LYS 9 N -3.26 3.56 0.37 0.00 -0.14 -1.26 -4.95 119.74 114.07 1jdt s LYS 9 Ca 0.51 1.29 -0.28 0.00 -1.36 0.00 0.00 55.97 56.14 1jdt s LYS 9 Cb -0.10 -2.06 -0.10 0.00 -1.68 0.00 0.00 37.83 33.88 1jdt s LYS 9 CO 0.24 -0.62 1.36 0.15 -0.76 0.00 0.00 175.35 175.72 1jdt s LYS 10 N -3.64 4.13 0.00 1.68 1.02 -1.26 -1.16 119.74 120.51 1jdt s LYS 10 Ca 0.66 2.32 0.00 0.00 0.02 0.00 0.00 55.97 58.96 1jdt s LYS 10 Cb -0.16 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.22 1jdt s LYS 10 CO 0.28 -0.41 0.00 0.41 -0.92 0.00 0.00 175.35 174.71 1jdt n GLY 11 N 0.65 1.85 0.04 -3.33 0.00 -1.26 -4.85 105.19 98.29 1jdt n GLY 11 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1jdt n GLY 11 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jdt n GLU 12 N -2.00 0.13 -4.61 1.61 1.02 -0.31 -4.77 120.64 111.71 1jdt n GLU 12 Ca 0.00 0.07 -0.33 0.00 -0.02 0.00 0.00 57.16 56.88 1jdt n GLU 12 Cb 0.00 -1.62 -0.13 0.00 -0.02 0.00 0.00 31.44 29.67 1jdt n GLU 12 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1jdt s VAL 13 N -3.06 3.46 0.71 2.62 1.01 -1.26 -4.75 120.40 119.12 1jdt s VAL 13 Ca 0.11 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 1jdt s VAL 13 Cb 0.16 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 34.08 1jdt s VAL 13 CO 0.63 0.52 1.07 0.00 0.00 0.00 0.00 175.10 177.32 1jdt s ALA 14 N 0.25 2.68 0.29 5.51 0.00 -1.26 -4.68 121.76 124.54 1jdt s ALA 14 Ca -0.06 -0.13 0.13 0.00 0.00 0.00 0.00 51.96 51.90 1jdt s ALA 14 Cb -0.15 -3.11 0.54 0.00 0.00 0.00 0.00 23.12 20.40 1jdt s ALA 14 CO 0.04 -1.26 1.70 0.93 0.00 0.00 0.00 175.76 177.18 1jdt h GLU 15 N -0.74 0.00 -5.03 0.00 5.08 -1.85 -3.33 114.58 108.71 1jdt h GLU 15 Ca -0.45 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.27 1jdt h GLU 15 Cb 1.23 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.29 1jdt h GLU 15 CO 0.60 0.50 -0.59 1.03 -1.00 0.00 0.00 179.01 179.55 1jdt s ARG 16 N -3.80 3.80 -0.03 2.33 0.52 -1.26 -1.46 118.95 119.05 1jdt s ARG 16 Ca -0.02 -0.41 0.03 0.00 -0.52 0.00 0.00 55.73 54.81 1jdt s ARG 16 Cb 0.13 -3.36 0.00 0.00 0.52 0.00 0.00 34.95 32.24 1jdt s ARG 16 CO 0.74 -0.06 -0.11 0.08 0.02 0.00 0.00 175.30 175.97 1jdt s VAL 17 N 1.31 0.91 -0.28 3.52 1.01 0.58 -1.75 120.40 125.70 1jdt s VAL 17 Ca 0.05 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 1jdt s VAL 17 Cb -0.15 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1jdt s VAL 17 CO 0.04 0.28 0.19 -0.22 0.00 0.00 0.00 175.10 175.39 1jdt s LEU 18 N 0.15 4.04 -0.13 3.92 0.20 0.41 -1.60 118.68 125.67 1jdt s LEU 18 Ca -0.03 -0.06 -0.02 0.00 0.69 0.00 0.00 54.13 54.70 1jdt s LEU 18 Cb -0.09 -2.11 -0.03 0.00 -0.43 0.00 0.00 46.19 43.53 1jdt s LEU 18 CO 0.01 -0.07 -0.05 0.68 -0.29 0.00 0.00 176.35 176.63 1jdt s VAL 19 N 1.75 3.80 0.11 1.68 -7.23 -0.46 -1.02 120.40 119.04 1jdt s VAL 19 Ca 0.07 -0.40 0.06 0.00 -1.81 0.00 0.00 61.98 59.89 1jdt s VAL 19 Cb -0.16 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 1jdt s VAL 19 CO 0.11 0.53 -0.15 0.68 -0.31 0.00 0.00 175.10 175.95 1jdt s VAL 20 N 0.03 1.32 0.10 1.32 -7.23 -0.06 -1.44 120.40 114.44 1jdt s VAL 20 Ca -0.00 -1.61 -0.10 0.00 -1.81 0.00 0.00 61.98 58.45 1jdt s VAL 20 Cb -0.13 -1.43 -0.21 0.00 0.56 0.00 0.00 36.38 35.17 1jdt s VAL 20 CO 0.03 -0.34 1.25 1.23 -0.31 0.00 0.00 175.10 176.95 1jdt h GLY 21 N 3.74 0.67 -6.21 2.32 0.00 -1.81 0.71 103.07 102.49 1jdt h GLY 21 Ca -0.41 -1.16 -0.60 0.00 0.00 0.00 0.00 47.33 45.17 1jdt h GLY 21 CO 0.47 1.02 -0.18 -0.35 0.00 0.00 0.00 176.54 177.51 1jdt s ASP 22 N -7.20 6.49 0.26 0.19 2.15 -1.26 -2.77 116.67 114.52 1jdt s ASP 22 Ca -0.08 0.58 -0.03 0.00 0.43 0.00 0.00 52.55 53.45 1jdt s ASP 22 Cb 0.08 -2.24 0.43 0.00 -0.30 0.00 0.00 42.92 40.89 1jdt s ASP 22 CO 0.90 -0.07 1.83 -0.65 -0.17 0.00 0.00 175.17 177.01 1jdt h PRO 23 N 7.24 0.90 -0.77 4.34 0.11 -1.88 -1.83 132.00 140.13 1jdt h PRO 23 Ca -0.37 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1jdt h PRO 23 Cb 1.16 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 1jdt h PRO 23 CO 0.73 0.60 0.45 0.78 -0.21 0.00 0.00 178.00 180.35 1jdt h GLY 24 N 0.93 1.11 1.83 -0.55 0.00 -1.96 -0.92 103.07 103.51 1jdt h GLY 24 Ca 0.43 -0.46 -0.13 0.00 0.00 0.00 0.00 47.33 47.16 1jdt h GLY 24 CO -0.23 0.45 -0.54 -0.09 0.00 0.00 0.00 176.54 176.13 1jdt h ARG 25 N 1.06 0.18 -0.53 4.80 2.43 -1.77 -0.49 114.38 120.05 1jdt h ARG 25 Ca 0.28 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1jdt h ARG 25 Cb -0.03 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1jdt h ARG 25 CO -0.05 0.67 0.17 0.00 -1.51 0.00 0.00 179.97 179.25 1jdt h ALA 26 N 1.31 0.69 -0.43 2.80 0.00 -0.71 0.64 119.26 123.57 1jdt h ALA 26 Ca 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1jdt h ALA 26 Cb 1.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1jdt h ALA 26 CO 0.08 0.35 0.06 -0.09 0.00 0.00 0.00 179.25 179.65 1jdt h ARG 27 N 0.73 0.72 -0.66 0.00 2.43 -0.91 -2.00 114.38 114.68 1jdt h ARG 27 Ca 0.17 -0.20 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1jdt h ARG 27 Cb 0.28 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1jdt h ARG 27 CO -0.01 0.75 0.23 1.25 -1.51 0.00 0.00 179.97 180.69 1jdt h LEU 28 N 0.57 0.94 -1.06 3.80 5.85 -0.88 -2.84 115.31 121.69 1jdt h LEU 28 Ca 0.13 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 1jdt h LEU 28 Cb 0.39 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1jdt h LEU 28 CO 0.01 0.88 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.67 1jdt h LEU 29 N 0.95 0.00 -2.34 2.25 3.38 -0.77 -3.09 115.31 115.70 1jdt h LEU 29 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1jdt h LEU 29 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1jdt h LEU 29 CO -0.01 0.25 0.00 0.77 0.09 0.00 0.00 178.44 179.54 1jdt h SER 30 N 0.00 0.00 0.27 -0.43 4.64 -1.10 -1.52 113.55 115.41 1jdt h SER 30 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jdt h SER 30 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1jdt h SER 30 CO 0.03 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.34 1jdt n THR 31 N -3.04 0.34 0.74 2.95 -2.24 -1.17 -1.61 114.28 110.26 1jdt n THR 31 Ca -0.02 0.09 0.11 0.00 -2.27 0.00 0.00 64.05 61.96 1jdt n THR 31 Cb 0.16 -0.78 0.09 0.00 -2.10 0.00 0.00 70.33 67.70 1jdt n THR 31 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jdt n LEU 32 N -1.22 0.63 -4.94 3.22 4.77 -0.57 -4.92 117.00 113.98 1jdt n LEU 32 Ca 0.10 -0.04 -0.24 0.00 -0.03 0.00 0.00 56.01 55.80 1jdt n LEU 32 Cb 0.13 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1jdt n LEU 32 CO 0.13 0.08 0.36 -0.76 -1.33 0.00 0.00 177.39 175.87 1jdt s LEU 33 N -3.60 3.58 -0.20 2.23 1.43 -0.64 -4.92 118.68 116.55 1jdt s LEU 33 Ca 0.07 0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 53.52 1jdt s LEU 33 Cb 0.15 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 1jdt s LEU 33 CO 0.77 -0.74 0.29 -1.10 0.23 0.00 0.00 176.35 175.80 1jdt s GLN 34 N -4.66 4.16 -1.35 1.70 -0.21 0.19 -4.44 119.66 115.05 1jdt s GLN 34 Ca 0.49 0.02 -0.04 0.00 0.02 0.00 0.00 55.36 55.84 1jdt s GLN 34 Cb -0.10 -3.51 0.02 0.00 1.00 0.00 0.00 33.01 30.42 1jdt s GLN 34 CO 0.40 0.07 0.88 -1.71 -2.12 0.00 0.00 175.29 172.81 1jdt n ASN 35 N 4.17 -2.82 -4.70 5.90 4.05 -1.26 -1.85 115.26 118.75 1jdt n ASN 35 Ca -0.11 -0.74 -0.42 0.00 0.45 0.00 0.00 54.58 53.75 1jdt n ASN 35 Cb 0.52 -4.34 -0.01 0.00 1.23 0.00 0.00 39.78 37.18 1jdt n ASN 35 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1jdt n PRO 36 N -4.44 2.18 -4.19 1.20 -0.02 -1.26 -4.70 135.00 123.77 1jdt n PRO 36 Ca -0.18 0.76 -0.18 0.00 -2.02 0.00 0.00 63.50 61.89 1jdt n PRO 36 Cb 0.63 -2.36 -0.15 0.00 -0.02 0.00 0.00 33.50 31.59 1jdt n PRO 36 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1jdt s LYS 37 N -1.85 0.60 -0.32 -0.52 -0.14 -0.30 -4.96 119.74 112.25 1jdt s LYS 37 Ca 0.56 -0.18 -0.29 0.00 -1.36 0.00 0.00 55.97 54.70 1jdt s LYS 37 Cb -0.56 -0.60 0.02 0.00 -1.68 0.00 0.00 37.83 35.01 1jdt s LYS 37 CO 0.62 0.06 1.10 -1.17 -0.76 0.00 0.00 175.35 175.20 1jdt s LEU 38 N 0.22 3.93 0.00 3.17 2.96 -1.26 -1.16 118.68 126.53 1jdt s LEU 38 Ca -0.02 1.07 0.22 0.00 -0.22 0.00 0.00 54.13 55.18 1jdt s LEU 38 Cb -0.07 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 1jdt s LEU 38 CO -0.00 -0.90 1.05 0.35 -1.32 0.00 0.00 176.35 175.53 1jdt n THR 39 N 5.90 0.00 -3.64 3.68 -2.24 0.97 -4.97 114.28 113.98 1jdt n THR 39 Ca 0.12 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 61.64 1jdt n THR 39 Cb 0.47 1.15 -0.07 0.00 -2.10 0.00 0.00 70.33 69.78 1jdt n THR 39 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jdt s ASN 40 N -2.63 -0.40 0.00 3.42 2.47 -1.19 -4.05 114.94 112.56 1jdt s ASN 40 Ca 0.16 0.76 0.00 0.00 0.42 0.00 0.00 52.86 54.20 1jdt s ASN 40 Cb 0.18 0.77 0.00 0.00 -1.45 0.00 0.00 41.25 40.75 1jdt s ASN 40 CO 0.66 -0.14 0.34 -1.84 -3.72 0.00 0.00 177.10 172.40 1jdt n GLU 41 N 2.10 0.16 -1.85 0.43 0.28 -1.26 -1.15 120.64 119.35 1jdt n GLU 41 Ca -0.12 -0.38 -0.41 0.00 -0.16 0.00 0.00 57.16 56.09 1jdt n GLU 41 Cb 0.56 -0.57 -0.01 0.00 1.43 0.00 0.00 31.44 32.85 1jdt n GLU 41 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1jdt s ASN 42 N -0.07 6.45 -1.93 -1.84 2.47 -1.26 -2.07 114.94 116.69 1jdt s ASN 42 Ca 0.00 2.89 0.00 0.00 0.42 0.00 0.00 52.86 56.17 1jdt s ASN 42 Cb 0.00 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 37.16 1jdt s ASN 42 CO 0.00 -0.84 0.00 0.54 -3.72 0.00 0.00 177.10 173.08 1jdt n ARG 43 N 1.78 -1.50 -0.98 0.43 1.74 -1.26 -1.54 116.66 115.34 1jdt n ARG 43 Ca 0.06 1.12 0.00 0.00 -0.77 0.00 0.00 57.85 58.26 1jdt n ARG 43 Cb 0.39 -5.50 0.00 0.00 -1.02 0.00 0.00 32.46 26.33 1jdt n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jdt n GLY 44 N -0.24 0.89 3.51 -0.13 0.00 -0.88 -4.97 105.19 103.37 1jdt n GLY 44 Ca -0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.40 1jdt n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jdt s PHE 45 N -3.55 3.20 0.18 1.61 0.40 -0.59 -4.83 117.98 114.41 1jdt s PHE 45 Ca 0.00 -1.88 -0.31 0.00 -0.60 0.00 0.00 56.93 54.14 1jdt s PHE 45 Cb 0.00 -4.48 -0.09 0.00 0.51 0.00 0.00 43.02 38.96 1jdt s PHE 45 CO 0.00 -1.56 1.45 -0.51 0.70 0.00 0.00 175.22 175.30 1jdt s LEU 46 N 2.65 4.38 -0.08 -0.37 1.43 -1.25 -4.22 118.68 121.21 1jdt s LEU 46 Ca 0.46 2.52 0.02 0.00 -1.03 0.00 0.00 54.13 56.10 1jdt s LEU 46 Cb -0.01 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.63 1jdt s LEU 46 CO 0.02 -0.70 -0.13 -0.69 0.23 0.00 0.00 176.35 175.07 1jdt s VAL 47 N 0.69 1.25 0.01 -1.59 1.01 -0.30 -1.81 120.40 119.66 1jdt s VAL 47 Ca 0.64 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 62.17 1jdt s VAL 47 Cb -0.40 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 1jdt s VAL 47 CO 0.35 0.39 -0.23 -0.31 0.00 0.00 0.00 175.10 175.30 1jdt s TYR 48 N 0.82 2.42 -0.02 5.22 1.51 0.08 -0.02 117.35 127.36 1jdt s TYR 48 Ca -0.11 -0.35 0.03 0.00 -1.01 0.00 0.00 57.07 55.63 1jdt s TYR 48 Cb -0.15 -1.47 -0.00 0.00 -0.11 0.00 0.00 41.96 40.22 1jdt s TYR 48 CO 0.02 0.11 -0.12 0.99 -1.11 0.00 0.00 175.55 175.43 1jdt s THR 49 N -0.76 1.01 0.00 -0.71 2.01 -0.31 -0.26 115.64 116.62 1jdt s THR 49 Ca 0.12 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.61 1jdt s THR 49 Cb -0.10 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.54 1jdt s THR 49 CO 0.01 0.30 0.00 0.61 -0.69 0.00 0.00 174.62 174.85 1jdt n GLY 50 N 3.05 2.99 3.22 4.40 0.00 -0.71 -1.15 105.19 116.98 1jdt n GLY 50 Ca -0.16 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.15 1jdt n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jdt s LYS 51 N 1.72 0.95 -0.10 1.61 1.02 -0.77 -1.82 119.74 122.35 1jdt s LYS 51 Ca 0.00 -1.12 -0.05 0.00 0.02 0.00 0.00 55.97 54.83 1jdt s LYS 51 Cb 0.00 -0.91 0.04 0.00 -0.52 0.00 0.00 37.83 36.44 1jdt s LYS 51 CO 0.00 0.19 0.22 -0.47 -0.92 0.00 0.00 175.35 174.37 1jdt s TYR 52 N -1.71 -0.29 0.00 3.18 5.04 -0.63 0.54 117.35 123.48 1jdt s TYR 52 Ca 0.04 0.71 0.00 0.00 -2.44 0.00 0.00 57.07 55.39 1jdt s TYR 52 Cb -0.07 0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.25 1jdt s TYR 52 CO 0.03 -0.22 0.00 0.09 -1.34 0.00 0.00 175.55 174.11 1jdt n ASN 53 N 4.22 0.00 -1.02 4.32 5.03 -1.26 -1.39 115.26 125.16 1jdt n ASN 53 Ca -0.26 0.00 0.08 0.00 0.87 0.00 0.00 54.58 55.28 1jdt n ASN 53 Cb 0.53 0.00 0.28 0.00 -1.02 0.00 0.00 39.78 39.56 1jdt n ASN 53 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jdt n GLY 54 N 0.00 3.87 3.53 7.41 0.00 -1.26 -4.99 105.19 113.75 1jdt n GLY 54 Ca 0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 1jdt n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jdt s GLU 55 N -2.78 2.11 0.16 1.61 2.56 -0.48 -5.11 118.70 116.76 1jdt s GLU 55 Ca 0.44 -0.99 -0.23 0.00 0.00 0.00 0.00 54.97 54.18 1jdt s GLU 55 Cb 0.35 -2.26 -0.08 0.00 2.00 0.00 0.00 34.13 34.14 1jdt s GLU 55 CO 0.10 0.53 0.73 0.99 -0.56 0.00 0.00 175.26 177.04 1jdt s THR 56 N -1.08 4.48 -0.02 -1.70 2.01 -1.26 -1.61 115.64 116.46 1jdt s THR 56 Ca 0.18 1.53 -0.22 0.00 0.31 0.00 0.00 61.69 63.49 1jdt s THR 56 Cb -0.11 -4.04 0.04 0.00 0.01 0.00 0.00 72.50 68.41 1jdt s THR 56 CO 0.10 0.47 0.48 0.54 -0.69 0.00 0.00 174.62 175.51 1jdt s VAL 57 N -1.22 0.03 0.23 3.82 0.11 -0.76 -4.56 120.40 118.06 1jdt s VAL 57 Ca 0.36 -0.27 0.11 0.00 -2.93 0.00 0.00 61.98 59.26 1jdt s VAL 57 Cb -0.21 -0.82 -0.05 0.00 -1.53 0.00 0.00 36.38 33.77 1jdt s VAL 57 CO 0.24 -0.15 -0.21 -0.44 -3.33 0.00 0.00 175.10 171.21 1jdt s SER 58 N -1.38 3.58 -0.17 3.54 0.01 -0.71 -1.74 113.70 116.84 1jdt s SER 58 Ca -0.11 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.23 1jdt s SER 58 Cb -0.02 -0.32 0.04 0.00 0.21 0.00 0.00 66.02 65.92 1jdt s SER 58 CO 0.06 0.08 -0.10 -0.63 0.41 0.00 0.00 173.24 173.06 1jdt s ILE 59 N -2.06 1.44 0.15 1.44 1.01 0.64 -0.45 121.20 123.38 1jdt s ILE 59 Ca 0.25 -0.77 0.11 0.00 0.00 0.00 0.00 60.65 60.24 1jdt s ILE 59 Cb -0.07 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1jdt s ILE 59 CO 0.13 0.24 -0.24 0.00 0.00 0.00 0.00 174.94 175.07 1jdt s ALA 60 N 1.50 2.51 -0.15 9.38 0.00 -0.18 -0.74 121.76 134.08 1jdt s ALA 60 Ca 0.01 -1.52 -0.16 0.00 0.00 0.00 0.00 51.96 50.30 1jdt s ALA 60 Cb -0.15 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 1jdt s ALA 60 CO -0.09 0.50 0.37 0.99 0.00 0.00 0.00 175.76 177.54 1jdt s THR 61 N -1.34 5.25 -1.23 0.00 2.01 -0.75 -0.88 115.64 118.71 1jdt s THR 61 Ca 0.18 0.72 0.11 0.00 0.31 0.00 0.00 61.69 63.00 1jdt s THR 61 Cb -0.09 -3.71 0.06 0.00 0.01 0.00 0.00 72.50 68.76 1jdt s THR 61 CO 0.08 0.35 0.78 0.00 -0.69 0.00 0.00 174.62 175.15 1jdt n HIS 62 N 3.71 0.00 -4.53 4.92 1.44 0.24 -4.74 115.22 116.26 1jdt n HIS 62 Ca -0.10 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.61 1jdt n HIS 62 Cb 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 1jdt n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1jdt n GLY 63 N 0.69 -0.86 3.53 -1.39 0.00 -1.12 -3.31 105.19 102.74 1jdt n GLY 63 Ca 0.06 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 1jdt n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jdt s ILE 64 N 0.00 4.24 0.00 -0.61 1.01 -1.26 -4.60 121.20 119.98 1jdt s ILE 64 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1jdt s ILE 64 Cb 0.00 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.57 1jdt s ILE 64 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1jdt n GLY 65 N 3.78 1.75 0.22 6.18 0.00 -1.26 -4.45 105.19 111.41 1jdt n GLY 65 Ca -0.17 -1.75 -0.01 0.00 0.00 0.00 0.00 46.02 44.10 1jdt n GLY 65 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jdt h GLY 66 N 0.00 0.53 1.12 -0.02 0.00 -1.91 -1.54 103.07 101.25 1jdt h GLY 66 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.47 1jdt h GLY 66 CO 0.00 -0.20 0.59 -2.55 0.00 0.00 0.00 176.54 174.38 1jdt h PRO 67 N 0.06 1.18 0.08 4.80 0.11 -1.95 -1.10 132.00 135.18 1jdt h PRO 67 Ca 0.29 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.33 1jdt h PRO 67 Cb 0.46 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1jdt h PRO 67 CO -0.54 0.78 -0.04 1.03 -0.21 0.00 0.00 178.00 179.03 1jdt h SER 68 N 1.22 -0.09 -0.01 -2.05 0.87 -1.58 -2.80 113.55 109.12 1jdt h SER 68 Ca 0.33 -0.40 -0.05 0.00 -1.23 0.00 0.00 61.79 60.44 1jdt h SER 68 Cb -0.14 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1jdt h SER 68 CO -0.07 0.37 -0.13 -0.29 -0.53 0.00 0.00 176.83 176.18 1jdt h ILE 69 N -0.57 1.19 -0.26 2.23 2.10 -1.26 -2.00 117.51 118.94 1jdt h ILE 69 Ca -0.01 -0.85 0.00 0.00 1.08 0.00 0.00 64.86 65.08 1jdt h ILE 69 Cb 0.48 1.21 -0.01 0.00 -1.09 0.00 0.00 36.82 37.40 1jdt h ILE 69 CO 0.02 0.27 0.17 0.00 -1.08 0.00 0.00 178.15 177.52 1jdt h ALA 70 N 1.59 0.33 -0.11 0.18 0.00 -1.21 -0.33 119.26 119.72 1jdt h ALA 70 Ca 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jdt h ALA 70 Cb 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1jdt h ALA 70 CO 0.02 -0.18 0.07 0.82 0.00 0.00 0.00 179.25 179.98 1jdt h ILE 71 N 0.34 1.05 -0.43 0.00 2.04 -1.18 -1.46 117.51 117.88 1jdt h ILE 71 Ca 0.09 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1jdt h ILE 71 Cb -0.01 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1jdt h ILE 71 CO -0.02 0.05 0.25 0.58 0.00 0.00 0.00 178.15 179.01 1jdt h VAL 72 N 0.12 1.14 -0.32 1.67 2.07 -1.21 -1.64 116.25 118.08 1jdt h VAL 72 Ca 0.04 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1jdt h VAL 72 Cb 0.02 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1jdt h VAL 72 CO -0.01 0.15 0.19 -0.07 0.02 0.00 0.00 177.57 177.85 1jdt h LEU 73 N 0.56 0.39 -0.37 2.57 3.38 -1.00 0.60 115.31 121.45 1jdt h LEU 73 Ca 0.15 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1jdt h LEU 73 Cb 0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1jdt h LEU 73 CO -0.03 0.34 0.19 -0.33 0.09 0.00 0.00 178.44 178.70 1jdt h GLU 74 N 0.41 0.37 -0.08 1.13 4.39 -1.07 0.83 114.58 120.56 1jdt h GLU 74 Ca 0.12 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.65 1jdt h GLU 74 Cb 0.02 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1jdt h GLU 74 CO -0.02 0.25 -0.56 0.93 -1.16 0.00 0.00 179.01 178.44 1jdt h GLU 75 N 0.38 0.26 -0.35 2.33 5.08 -1.11 -0.68 114.58 120.49 1jdt h GLU 75 Ca 0.15 -0.16 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1jdt h GLU 75 Cb 0.06 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1jdt h GLU 75 CO -0.10 0.75 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.28 1jdt h LEU 76 N 0.20 0.78 -0.53 1.33 3.38 -0.55 -1.93 115.31 117.98 1jdt h LEU 76 Ca -0.00 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 1jdt h LEU 76 Cb 1.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1jdt h LEU 76 CO 0.09 1.03 0.01 0.00 0.09 0.00 0.00 178.44 179.65 1jdt h ALA 77 N 1.02 0.71 0.00 1.53 0.00 -0.57 -0.33 119.26 121.63 1jdt h ALA 77 Ca 0.07 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1jdt h ALA 77 Cb 0.83 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1jdt h ALA 77 CO 0.07 0.53 -0.01 0.52 0.00 0.00 0.00 179.25 180.36 1jdt h MET 78 N 0.81 0.00 -0.40 0.00 2.86 -0.84 0.32 114.93 117.67 1jdt h MET 78 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1jdt h MET 78 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1jdt h MET 78 CO 0.03 0.01 0.00 1.28 1.06 0.00 0.00 176.91 179.28 1jdt n LEU 79 N -3.73 2.78 0.00 1.22 4.77 -0.54 -4.93 117.00 116.57 1jdt n LEU 79 Ca -0.03 -1.27 0.00 0.00 -0.03 0.00 0.00 56.01 54.68 1jdt n LEU 79 Cb 0.09 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1jdt n LEU 79 CO 0.27 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 1jdt n GLY 80 N 1.35 0.79 3.77 -0.72 0.00 0.10 -4.31 105.19 106.17 1jdt n GLY 80 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1jdt n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdt s ALA 81 N -2.00 3.24 0.00 4.61 0.00 -0.25 -4.12 121.76 123.24 1jdt s ALA 81 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1jdt s ALA 81 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1jdt s ALA 81 CO 0.00 0.16 0.00 0.27 0.00 0.00 0.00 175.76 176.19 1jdt n ASN 82 N 0.76 0.00 -3.99 0.00 0.23 -0.57 -4.14 115.26 107.55 1jdt n ASN 82 Ca 0.01 -0.25 -0.28 0.00 -0.53 0.00 0.00 54.58 53.53 1jdt n ASN 82 Cb 0.49 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 38.03 1jdt n ASN 82 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1jdt s VAL 83 N 0.00 1.35 -0.03 3.53 1.01 -0.53 -0.89 120.40 124.83 1jdt s VAL 83 Ca 0.00 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1jdt s VAL 83 Cb 0.00 -1.28 -0.00 0.00 0.00 0.00 0.00 36.38 35.09 1jdt s VAL 83 CO 0.00 0.42 -0.14 -0.36 0.00 0.00 0.00 175.10 175.02 1jdt s PHE 84 N 1.44 1.32 -0.15 5.22 0.40 0.10 -0.31 117.98 126.00 1jdt s PHE 84 Ca 0.02 -0.32 -0.00 0.00 -0.60 0.00 0.00 56.93 56.03 1jdt s PHE 84 Cb -0.13 -0.89 0.04 0.00 0.51 0.00 0.00 43.02 42.55 1jdt s PHE 84 CO -0.08 -0.09 -0.06 0.42 0.70 0.00 0.00 175.22 176.11 1jdt s ILE 85 N -0.05 1.11 0.02 0.64 1.01 -0.63 -1.71 121.20 121.60 1jdt s ILE 85 Ca -0.00 -0.53 -0.24 0.00 0.00 0.00 0.00 60.65 59.87 1jdt s ILE 85 Cb -0.08 -1.23 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 1jdt s ILE 85 CO 0.01 0.22 0.74 -0.60 0.00 0.00 0.00 174.94 175.30 1jdt s ARG 86 N 1.65 4.46 -0.32 2.79 3.52 -0.24 -1.35 118.95 129.46 1jdt s ARG 86 Ca 0.02 1.00 0.01 0.00 -0.13 0.00 0.00 55.73 56.63 1jdt s ARG 86 Cb -0.14 -3.37 0.10 0.00 -1.56 0.00 0.00 34.95 29.97 1jdt s ARG 86 CO -0.08 0.26 0.07 -0.47 -0.81 0.00 0.00 175.30 174.27 1jdt s TYR 87 N 0.05 2.55 0.00 5.12 5.04 -0.52 -0.74 117.35 128.86 1jdt s TYR 87 Ca 0.37 -2.23 0.00 0.00 -2.44 0.00 0.00 57.07 52.77 1jdt s TYR 87 Cb -0.20 -2.18 0.00 0.00 0.35 0.00 0.00 41.96 39.93 1jdt s TYR 87 CO 0.22 -0.90 0.00 0.41 -1.34 0.00 0.00 175.55 173.94 1jdt n GLY 88 N 4.60 5.02 3.77 8.97 0.00 -0.90 -4.52 105.19 122.14 1jdt n GLY 88 Ca -0.00 -1.70 -0.22 0.00 0.00 0.00 0.00 46.02 44.09 1jdt n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jdt s THR 89 N -1.06 4.15 0.14 2.61 -4.23 -1.26 0.29 115.64 116.27 1jdt s THR 89 Ca 0.00 -1.55 -0.16 0.00 -1.18 0.00 0.00 61.69 58.80 1jdt s THR 89 Cb 0.00 -3.23 0.03 0.00 1.34 0.00 0.00 72.50 70.64 1jdt s THR 89 CO 0.00 -0.35 0.42 0.28 -0.54 0.00 0.00 174.62 174.43 1jdt s THR 90 N -2.18 0.06 -0.28 3.99 -1.32 -0.52 -4.78 115.64 110.63 1jdt s THR 90 Ca 0.32 -0.62 -0.08 0.00 -1.21 0.00 0.00 61.69 60.10 1jdt s THR 90 Cb -0.07 -1.25 -0.01 0.00 -1.51 0.00 0.00 72.50 69.65 1jdt s THR 90 CO 0.23 -0.28 0.09 -0.83 -2.21 0.00 0.00 174.62 171.63 1jdt s GLY 91 N -2.82 1.80 0.50 6.08 0.00 -0.82 -0.57 107.32 111.50 1jdt s GLY 91 Ca 0.04 -1.28 -0.22 0.00 0.00 0.00 0.00 44.72 43.26 1jdt s GLY 91 CO -0.10 0.61 1.26 0.00 0.00 0.00 0.00 173.10 174.86 1jdt s ALA 92 N 1.58 2.90 -0.91 3.20 0.00 0.84 -0.89 121.76 128.47 1jdt s ALA 92 Ca 0.05 1.13 0.10 0.00 0.00 0.00 0.00 51.96 53.24 1jdt s ALA 92 Cb -0.16 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.48 1jdt s ALA 92 CO 0.04 -1.01 0.63 1.28 0.00 0.00 0.00 175.76 176.70 1jdt n LEU 93 N -0.76 1.21 -4.34 0.00 4.77 0.68 -1.27 117.00 117.29 1jdt n LEU 93 Ca 0.09 -0.76 -0.31 0.00 -0.03 0.00 0.00 56.01 54.99 1jdt n LEU 93 Cb 0.46 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.40 1jdt n LEU 93 CO 0.50 0.24 -0.55 0.68 -1.33 0.00 0.00 177.39 176.94 1jdt s VAL 94 N -1.36 2.25 0.43 4.08 -7.23 -1.24 -4.67 120.40 112.65 1jdt s VAL 94 Ca 0.08 -1.03 0.28 0.00 -1.81 0.00 0.00 61.98 59.50 1jdt s VAL 94 Cb 0.08 -1.80 0.31 0.00 0.56 0.00 0.00 36.38 35.53 1jdt s VAL 94 CO 0.25 0.58 2.10 1.55 -0.31 0.00 0.00 175.10 179.28 1jdt h PRO 95 N 5.47 0.00 0.00 4.82 0.13 -1.93 -3.15 132.00 137.33 1jdt h PRO 95 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1jdt h PRO 95 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1jdt h PRO 95 CO 0.48 0.10 0.00 2.48 -0.23 0.00 0.00 178.00 180.83 1jdt n TYR 96 N -3.65 0.00 -3.72 1.56 0.18 -1.26 -4.71 117.16 105.57 1jdt n TYR 96 Ca -0.02 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.40 1jdt n TYR 96 Cb 0.22 -0.15 -0.10 0.00 -0.38 0.00 0.00 39.34 38.93 1jdt n TYR 96 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1jdt s ILE 97 N -2.30 5.20 0.24 -3.48 1.01 -1.19 -5.09 121.20 115.59 1jdt s ILE 97 Ca 0.34 0.12 -0.00 0.00 0.00 0.00 0.00 60.65 61.11 1jdt s ILE 97 Cb 0.19 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 1jdt s ILE 97 CO 0.38 0.36 0.43 0.20 0.00 0.00 0.00 174.94 176.31 1jdt s ASN 98 N 1.00 6.37 0.61 3.58 0.01 -1.26 -4.96 114.94 120.29 1jdt s ASN 98 Ca 0.07 0.41 -0.19 0.00 -0.71 0.00 0.00 52.86 52.44 1jdt s ASN 98 Cb -0.13 -2.01 -0.04 0.00 0.41 0.00 0.00 41.25 39.48 1jdt s ASN 98 CO 0.04 -0.11 1.10 0.18 -1.51 0.00 0.00 177.10 176.80 1jdt n LEU 99 N -0.97 4.61 0.00 0.60 4.77 -1.26 -2.24 117.00 122.51 1jdt n LEU 99 Ca -0.05 0.83 0.00 0.00 -0.03 0.00 0.00 56.01 56.76 1jdt n LEU 99 Cb 0.55 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 1jdt n LEU 99 CO 0.48 -1.47 0.00 0.61 -1.33 0.00 0.00 177.39 175.68 1jdt n GLY 100 N 1.13 2.96 3.75 -0.72 0.00 -0.30 -4.97 105.19 107.03 1jdt n GLY 100 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1jdt n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jdt s GLU 101 N -0.16 0.75 0.23 1.61 2.02 -0.95 -4.67 118.70 117.52 1jdt s GLU 101 Ca 0.00 0.29 0.09 0.00 0.02 0.00 0.00 54.97 55.37 1jdt s GLU 101 Cb 0.00 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.39 1jdt s GLU 101 CO 0.00 -2.46 -0.02 0.71 0.02 0.00 0.00 175.26 173.51 1jdt s TYR 102 N -3.20 2.72 -0.09 1.61 1.51 0.06 -1.66 117.35 118.30 1jdt s TYR 102 Ca 0.65 -0.20 -0.01 0.00 -1.01 0.00 0.00 57.07 56.49 1jdt s TYR 102 Cb -0.15 -1.25 0.03 0.00 -0.11 0.00 0.00 41.96 40.48 1jdt s TYR 102 CO 0.55 0.58 -0.00 0.42 -1.11 0.00 0.00 175.55 175.98 1jdt s ILE 103 N -2.08 0.46 -0.38 2.71 1.01 -0.40 -0.50 121.20 122.02 1jdt s ILE 103 Ca 0.29 -0.00 -0.17 0.00 0.00 0.00 0.00 60.65 60.77 1jdt s ILE 103 Cb -0.07 -0.65 0.00 0.00 0.01 0.00 0.00 42.46 41.75 1jdt s ILE 103 CO 0.19 0.21 0.43 -0.63 0.00 0.00 0.00 174.94 175.14 1jdt s ILE 104 N 1.93 5.09 0.10 2.92 1.01 0.19 -0.60 121.20 131.85 1jdt s ILE 104 Ca 0.04 -0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.33 1jdt s ILE 104 Cb -0.13 -3.95 -0.06 0.00 0.01 0.00 0.00 42.46 38.32 1jdt s ILE 104 CO -0.06 -0.27 1.19 -0.69 0.00 0.00 0.00 174.94 175.11 1jdt s VAL 105 N 2.17 3.90 -0.70 2.92 1.01 -1.00 -2.26 120.40 126.44 1jdt s VAL 105 Ca 0.14 1.45 0.13 0.00 0.00 0.00 0.00 61.98 63.69 1jdt s VAL 105 Cb -0.16 -3.92 -0.11 0.00 0.00 0.00 0.00 36.38 32.18 1jdt s VAL 105 CO 0.13 0.16 0.57 0.35 0.00 0.00 0.00 175.10 176.31 1jdt n THR 106 N 3.41 0.00 -3.61 3.92 -2.24 -0.20 -4.64 114.28 110.92 1jdt n THR 106 Ca 0.07 -0.23 -0.02 0.00 -2.27 0.00 0.00 64.05 61.60 1jdt n THR 106 Cb 0.46 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.70 1jdt n THR 106 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1jdt s GLY 107 N -2.09 -0.30 -0.05 3.38 0.00 -1.26 -4.44 107.32 102.55 1jdt s GLY 107 Ca 0.06 1.50 0.01 0.00 0.00 0.00 0.00 44.72 46.29 1jdt s GLY 107 CO 0.48 0.47 -0.06 0.00 0.00 0.00 0.00 173.10 173.99 1jdt s ALA 108 N -2.28 0.84 0.29 3.20 0.00 -0.73 -0.99 121.76 122.08 1jdt s ALA 108 Ca 0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.86 1jdt s ALA 108 Cb 0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 1jdt s ALA 108 CO -0.04 -0.04 0.54 -1.12 0.00 0.00 0.00 175.76 175.11 1jdt s SER 109 N 0.97 6.44 0.14 0.00 0.01 0.34 -4.55 113.70 117.04 1jdt s SER 109 Ca -0.10 0.69 -0.24 0.00 1.31 0.00 0.00 55.95 57.61 1jdt s SER 109 Cb -0.14 -2.13 0.07 0.00 0.21 0.00 0.00 66.02 64.03 1jdt s SER 109 CO 0.00 -0.19 0.68 -0.72 0.41 0.00 0.00 173.24 173.43 1jdt s TYR 110 N -2.08 -0.45 -0.09 2.43 1.13 -1.26 -0.85 117.35 116.18 1jdt s TYR 110 Ca 0.43 0.23 -0.18 0.00 -1.41 0.00 0.00 57.07 56.15 1jdt s TYR 110 Cb -0.11 0.57 -0.05 0.00 -1.10 0.00 0.00 41.96 41.28 1jdt s TYR 110 CO 0.30 -0.82 0.47 -0.80 -2.51 0.00 0.00 175.55 172.19 1jdt s ASN 111 N -2.71 6.72 1.06 -0.18 0.01 -1.26 -5.06 114.94 113.52 1jdt s ASN 111 Ca 0.03 0.86 -0.14 0.00 -0.71 0.00 0.00 52.86 52.90 1jdt s ASN 111 Cb -0.01 -2.28 0.22 0.00 0.41 0.00 0.00 41.25 39.58 1jdt s ASN 111 CO -0.10 0.07 1.09 0.00 -1.51 0.00 0.00 177.10 176.65 1jdt s GLN 112 N 0.26 -0.05 0.00 -0.60 -2.07 -1.26 -4.94 119.66 111.00 1jdt s GLN 112 Ca 0.26 0.39 0.00 0.00 -1.82 0.00 0.00 55.36 54.19 1jdt s GLN 112 Cb -0.16 -1.69 0.00 0.00 -1.09 0.00 0.00 33.01 30.07 1jdt s GLN 112 CO 0.11 -3.03 0.00 0.41 -1.32 0.00 0.00 175.29 171.46 1jdt n GLY 113 N -0.95 -0.15 3.60 2.60 0.00 -1.26 -5.03 105.19 104.00 1jdt n GLY 113 Ca 0.06 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1jdt n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdt n GLY 114 N 0.00 0.97 0.15 -0.02 0.00 -1.26 -1.36 105.19 103.66 1jdt n GLY 114 Ca 0.00 0.30 -0.06 0.00 0.00 0.00 0.00 46.02 46.26 1jdt n GLY 114 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jdt h LEU 115 N 0.00 -0.01 -1.09 0.99 6.46 -1.97 -1.34 115.31 118.35 1jdt h LEU 115 Ca 0.00 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 1jdt h LEU 115 Cb 0.00 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.98 1jdt h LEU 115 CO 0.00 0.03 0.36 -0.26 -0.62 0.00 0.00 178.44 177.95 1jdt h PHE 116 N 0.17 0.98 -0.30 1.25 -1.00 -1.61 -1.93 116.94 114.50 1jdt h PHE 116 Ca 0.16 -0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.85 1jdt h PHE 116 Cb 0.18 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.42 1jdt h PHE 116 CO -0.19 0.71 -0.03 -0.92 -1.61 0.00 0.00 178.31 176.27 1jdt h TYR 117 N 1.00 0.60 -0.76 -0.55 3.20 -0.85 0.32 116.97 119.92 1jdt h TYR 117 Ca 0.25 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1jdt h TYR 117 Cb 0.07 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 1jdt h TYR 117 CO 0.01 0.70 0.41 1.96 -1.64 0.00 0.00 178.16 179.60 1jdt h GLN 118 N 0.32 1.06 0.14 1.82 4.20 -1.00 0.34 115.11 121.99 1jdt h GLN 118 Ca 0.08 -0.12 -0.24 0.00 0.06 0.00 0.00 58.65 58.43 1jdt h GLN 118 Cb 0.48 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 28.06 1jdt h GLN 118 CO 0.02 0.78 -1.12 1.88 -0.67 0.00 0.00 178.83 179.71 1jdt h TYR 119 N 1.06 0.55 0.00 2.96 0.05 -1.24 -3.37 116.97 116.98 1jdt h TYR 119 Ca 0.27 -0.40 0.00 0.00 0.05 0.00 0.00 58.73 58.65 1jdt h TYR 119 Cb 0.03 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.75 1jdt h TYR 119 CO 0.01 1.43 -0.51 -0.07 -1.05 0.00 0.00 178.16 177.98 1jdt h LEU 120 N -0.29 0.00 0.00 3.88 3.38 -0.37 -3.48 115.31 118.43 1jdt h LEU 120 Ca -0.22 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1jdt h LEU 120 Cb 1.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.49 1jdt h LEU 120 CO 0.13 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.20 1jdt n ARG 121 N -2.86 -0.24 -3.59 1.13 1.74 0.12 -4.94 116.66 108.02 1jdt n ARG 121 Ca 0.02 0.06 -0.06 0.00 -0.77 0.00 0.00 57.85 57.11 1jdt n ARG 121 Cb 0.54 -3.28 0.02 0.00 -1.02 0.00 0.00 32.46 28.72 1jdt n ARG 121 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1jdt n ASP 122 N -0.12 -1.86 -0.39 0.55 3.85 -1.25 -5.03 116.55 112.30 1jdt n ASP 122 Ca 0.00 -2.16 0.10 0.00 -0.71 0.00 0.00 54.79 52.02 1jdt n ASP 122 Cb 0.06 3.06 0.41 0.00 -1.35 0.00 0.00 41.12 43.30 1jdt n ASP 122 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 1jdt n ASN 123 N -1.37 1.18 -4.57 -1.12 6.94 -1.26 -4.54 115.26 110.51 1jdt n ASN 123 Ca -0.05 -1.64 -0.47 0.00 -0.02 0.00 0.00 54.58 52.40 1jdt n ASN 123 Cb 0.54 -0.08 -0.03 0.00 -2.36 0.00 0.00 39.78 37.85 1jdt n ASN 123 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1jdt n ALA 124 N 0.01 -0.61 -2.75 -2.53 0.00 -1.26 -4.86 120.51 108.50 1jdt n ALA 124 Ca 0.15 0.43 -0.43 0.00 0.00 0.00 0.00 53.44 53.59 1jdt n ALA 124 Cb 0.25 -2.00 -0.01 0.00 0.00 0.00 0.00 19.45 17.68 1jdt n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jdt s VAL 126 N 3.42 3.75 -0.03 0.00 1.01 -1.26 -4.93 120.40 122.36 1jdt s VAL 126 Ca 0.44 1.50 -0.31 0.00 0.00 0.00 0.00 61.98 63.60 1jdt s VAL 126 Cb -0.01 -3.95 -0.10 0.00 0.00 0.00 0.00 36.38 32.32 1jdt s VAL 126 CO -0.03 0.25 1.97 0.00 0.00 0.00 0.00 175.10 177.29 1jdt n ALA 127 N 2.45 1.37 -3.39 5.51 0.00 -1.26 -4.89 120.51 120.29 1jdt n ALA 127 Ca 0.03 0.19 -0.45 0.00 0.00 0.00 0.00 53.44 53.22 1jdt n ALA 127 Cb 0.46 -2.65 -0.02 0.00 0.00 0.00 0.00 19.45 17.24 1jdt n ALA 127 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jdt s SER 128 N 4.72 6.74 0.11 0.00 0.15 -1.26 -4.80 113.70 119.35 1jdt s SER 128 Ca 0.92 -3.08 0.08 0.00 0.70 0.00 0.00 55.95 54.57 1jdt s SER 128 Cb -0.51 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 1jdt s SER 128 CO 0.45 -0.43 -0.20 0.42 1.20 0.00 0.00 173.24 174.68 1jdt s THR 129 N -0.43 1.67 0.92 6.45 -4.23 -1.26 -1.77 115.64 116.98 1jdt s THR 129 Ca 0.23 -1.58 -0.15 0.00 -1.18 0.00 0.00 61.69 59.01 1jdt s THR 129 Cb -0.11 -1.55 0.17 0.00 1.34 0.00 0.00 72.50 72.35 1jdt s THR 129 CO -0.08 -0.12 1.28 -2.16 -0.54 0.00 0.00 174.62 173.00 1jdt s PRO 130 N -2.03 0.98 0.11 3.99 0.04 -1.26 -4.75 135.00 132.07 1jdt s PRO 130 Ca 0.07 -0.25 -0.31 0.00 0.04 0.00 0.00 61.00 60.55 1jdt s PRO 130 Cb -0.09 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 1jdt s PRO 130 CO 0.04 -2.21 1.41 0.34 0.04 0.00 0.00 177.00 176.62 1jdt s ASP 131 N -4.78 6.81 0.08 6.66 2.15 0.12 -4.93 116.67 122.78 1jdt s ASP 131 Ca 0.71 2.33 -0.26 0.00 0.43 0.00 0.00 52.55 55.76 1jdt s ASP 131 Cb -0.06 -2.58 -0.16 0.00 -0.30 0.00 0.00 42.92 39.81 1jdt s ASP 131 CO 0.52 -0.67 1.69 0.15 -0.17 0.00 0.00 175.17 176.69 1jdt h PHE 132 N 6.92 -0.24 0.57 -5.34 3.57 -1.94 -1.87 116.94 118.61 1jdt h PHE 132 Ca -0.42 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 1jdt h PHE 132 Cb 1.21 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 1jdt h PHE 132 CO 0.67 -0.13 -0.37 0.93 -2.23 0.00 0.00 178.31 177.17 1jdt h GLU 133 N -0.27 -0.87 -0.65 1.11 5.08 -1.98 -2.23 114.58 114.77 1jdt h GLU 133 Ca -0.03 0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.51 1jdt h GLU 133 Cb 0.21 0.20 -0.09 0.00 0.50 0.00 0.00 28.75 29.57 1jdt h GLU 133 CO 0.04 -0.58 0.18 1.25 -1.00 0.00 0.00 179.01 178.90 1jdt h LEU 134 N -0.90 0.09 -1.32 1.33 5.85 -1.92 -0.28 115.31 118.15 1jdt h LEU 134 Ca -0.07 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1jdt h LEU 134 Cb 0.74 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1jdt h LEU 134 CO 0.05 0.04 0.19 0.74 -0.34 0.00 0.00 178.44 179.13 1jdt h THR 135 N 0.32 1.17 -0.32 1.05 2.02 -1.21 -1.11 112.91 114.83 1jdt h THR 135 Ca 0.34 -0.52 -0.15 0.00 0.77 0.00 0.00 66.41 66.85 1jdt h THR 135 Cb 0.51 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1jdt h THR 135 CO -0.40 0.21 -0.37 0.78 0.37 0.00 0.00 175.52 176.10 1jdt h ASN 136 N 0.65 0.88 -0.88 4.18 2.35 -0.48 -1.83 115.58 120.45 1jdt h ASN 136 Ca 0.16 -0.48 0.06 0.00 -0.55 0.00 0.00 56.30 55.49 1jdt h ASN 136 Cb 0.12 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.18 1jdt h ASN 136 CO -0.02 1.19 0.55 0.11 -1.65 0.00 0.00 177.43 177.62 1jdt h LYS 137 N 0.60 0.98 -0.23 0.81 1.57 -0.58 -0.58 116.57 119.13 1jdt h LYS 137 Ca 0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1jdt h LYS 137 Cb 0.96 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1jdt h LYS 137 CO 0.09 0.65 0.15 1.25 -0.57 0.00 0.00 179.45 181.01 1jdt h LEU 138 N 1.01 0.27 -0.44 2.94 5.85 -1.04 0.09 115.31 123.99 1jdt h LEU 138 Ca 0.38 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.13 1jdt h LEU 138 Cb 0.16 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 1jdt h LEU 138 CO -0.17 0.22 0.14 0.58 -0.34 0.00 0.00 178.44 178.87 1jdt h VAL 139 N 0.30 0.83 -0.19 1.05 2.07 -0.39 -0.44 116.25 119.47 1jdt h VAL 139 Ca 0.08 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1jdt h VAL 139 Cb -0.00 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1jdt h VAL 139 CO -0.02 0.05 0.12 0.74 0.02 0.00 0.00 177.57 178.48 1jdt h THR 140 N 0.30 1.03 -0.71 2.57 2.02 -0.72 -0.44 112.91 116.96 1jdt h THR 140 Ca 0.21 -0.08 0.04 0.00 0.77 0.00 0.00 66.41 67.35 1jdt h THR 140 Cb 0.22 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 1jdt h THR 140 CO -0.23 0.04 0.43 0.28 0.37 0.00 0.00 175.52 176.42 1jdt h SER 141 N 0.24 0.69 0.64 4.18 0.02 -0.37 0.30 113.55 119.24 1jdt h SER 141 Ca 0.07 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1jdt h SER 141 Cb -0.01 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1jdt h SER 141 CO -0.03 0.46 -0.43 -0.26 -1.14 0.00 0.00 176.83 175.43 1jdt h PHE 142 N 0.82 0.00 -0.14 3.45 -1.00 -0.83 -2.88 116.94 116.37 1jdt h PHE 142 Ca 0.30 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.93 1jdt h PHE 142 Cb 0.09 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.65 1jdt h PHE 142 CO -0.05 0.43 -0.51 1.03 -1.61 0.00 0.00 178.31 177.60 1jdt h SER 143 N 0.00 0.68 -0.82 2.17 0.87 -0.03 -1.05 113.55 115.37 1jdt h SER 143 Ca -0.00 -0.61 -0.02 0.00 -1.23 0.00 0.00 61.79 59.92 1jdt h SER 143 Cb 0.86 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.59 1jdt h SER 143 CO 0.06 1.18 0.45 0.11 -0.53 0.00 0.00 176.83 178.09 1jdt h LYS 144 N 0.22 1.14 -0.09 2.24 1.57 -0.91 -1.22 116.57 119.53 1jdt h LYS 144 Ca -0.02 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1jdt h LYS 144 Cb 1.14 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1jdt h LYS 144 CO 0.11 0.84 0.00 0.54 -0.57 0.00 0.00 179.45 180.37 1jdt n ARG 145 N -4.40 1.06 -3.91 3.15 1.74 -1.09 -4.90 116.66 108.31 1jdt n ARG 145 Ca 0.08 -0.08 -0.26 0.00 -0.77 0.00 0.00 57.85 56.82 1jdt n ARG 145 Cb 0.10 -1.05 -0.00 0.00 -1.02 0.00 0.00 32.46 30.48 1jdt n ARG 145 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1jdt n ASN 146 N -0.40 -1.12 -4.88 0.55 3.02 -0.46 -4.97 115.26 107.00 1jdt n ASN 146 Ca 0.01 -0.94 -0.35 0.00 -0.03 0.00 0.00 54.58 53.26 1jdt n ASN 146 Cb 0.04 -3.35 -0.05 0.00 -0.61 0.00 0.00 39.78 35.80 1jdt n ASN 146 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jdt s LEU 147 N -6.94 4.38 -0.56 3.41 1.43 -0.41 -5.05 118.68 114.94 1jdt s LEU 147 Ca 0.12 0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 53.51 1jdt s LEU 147 Cb -0.06 -2.60 0.03 0.00 0.03 0.00 0.00 46.19 43.59 1jdt s LEU 147 CO 0.87 0.28 1.17 -0.75 0.23 0.00 0.00 176.35 178.15 1jdt s LYS 148 N -1.63 3.55 0.23 1.70 2.47 -1.26 -4.74 119.74 120.06 1jdt s LYS 148 Ca 0.26 0.30 0.02 0.00 -1.56 0.00 0.00 55.97 54.99 1jdt s LYS 148 Cb -0.13 -3.99 -0.05 0.00 -1.46 0.00 0.00 37.83 32.19 1jdt s LYS 148 CO 0.14 -1.61 0.04 1.52 0.16 0.00 0.00 175.35 175.60 1jdt s TYR 149 N 4.81 1.47 0.00 4.03 -0.85 -1.26 -0.76 117.35 124.79 1jdt s TYR 149 Ca 0.44 -1.05 0.02 0.00 -0.52 0.00 0.00 57.07 55.96 1jdt s TYR 149 Cb -0.07 -0.86 -0.01 0.00 0.38 0.00 0.00 41.96 41.40 1jdt s TYR 149 CO 0.27 -0.20 -0.08 0.71 -1.52 0.00 0.00 175.55 174.73 1jdt s TYR 150 N -3.61 0.70 -0.25 -3.49 1.51 0.34 -4.93 117.35 107.63 1jdt s TYR 150 Ca 0.31 -0.19 -0.09 0.00 -1.01 0.00 0.00 57.07 56.09 1jdt s TYR 150 Cb 0.07 -0.44 -0.04 0.00 -0.11 0.00 0.00 41.96 41.44 1jdt s TYR 150 CO 0.09 -0.02 0.12 0.54 -1.11 0.00 0.00 175.55 175.17 1jdt s VAL 151 N -0.38 4.80 0.00 0.71 0.11 -1.26 -0.64 120.40 123.74 1jdt s VAL 151 Ca 0.01 -0.01 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 1jdt s VAL 151 Cb -0.04 -3.25 0.10 0.00 -1.53 0.00 0.00 36.38 31.66 1jdt s VAL 151 CO -0.00 0.33 1.26 -0.83 -3.33 0.00 0.00 175.10 172.53 1jdt s GLY 152 N 1.43 -0.21 0.37 6.54 0.00 -0.96 -4.97 107.32 109.52 1jdt s GLY 152 Ca 0.06 0.23 -0.15 0.00 0.00 0.00 0.00 44.72 44.87 1jdt s GLY 152 CO 0.06 3.31 0.79 -1.31 0.00 0.00 0.00 173.10 175.94 1jdt s ASN 153 N -3.47 6.73 0.20 1.64 0.02 -1.26 -1.03 114.94 117.78 1jdt s ASN 153 Ca 0.23 1.32 0.07 0.00 -1.02 0.00 0.00 52.86 53.46 1jdt s ASN 153 Cb 0.01 -2.39 -0.05 0.00 0.02 0.00 0.00 41.25 38.84 1jdt s ASN 153 CO -0.01 -0.29 -0.12 0.68 0.02 0.00 0.00 177.10 177.38 1jdt s VAL 154 N -2.13 1.58 -0.21 1.60 -7.23 -0.16 -1.29 120.40 112.55 1jdt s VAL 154 Ca 0.55 -2.17 -0.09 0.00 -1.81 0.00 0.00 61.98 58.47 1jdt s VAL 154 Cb -0.10 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 1jdt s VAL 154 CO 0.20 -0.60 0.10 0.12 -0.31 0.00 0.00 175.10 174.61 1jdt s PHE 155 N -3.07 3.27 -0.62 2.82 5.36 0.11 -0.50 117.98 125.35 1jdt s PHE 155 Ca 0.22 0.10 -0.18 0.00 -0.96 0.00 0.00 56.93 56.10 1jdt s PHE 155 Cb 0.01 -2.16 0.11 0.00 -0.34 0.00 0.00 43.02 40.64 1jdt s PHE 155 CO 0.06 0.09 0.71 -1.12 -1.46 0.00 0.00 175.22 173.50 1jdt s SER 156 N 0.70 6.24 0.51 6.13 0.01 -0.03 -1.00 113.70 126.25 1jdt s SER 156 Ca 0.05 -1.56 -0.18 0.00 1.31 0.00 0.00 55.95 55.58 1jdt s SER 156 Cb -0.13 -2.30 -0.08 0.00 0.21 0.00 0.00 66.02 63.73 1jdt s SER 156 CO 0.02 -1.07 0.99 -0.55 0.41 0.00 0.00 173.24 173.04 1jdt s SER 157 N 3.55 6.53 -0.01 2.44 0.15 0.55 -4.60 113.70 122.32 1jdt s SER 157 Ca 0.12 1.66 0.10 0.00 0.70 0.00 0.00 55.95 58.53 1jdt s SER 157 Cb -0.23 -2.52 -0.13 0.00 -1.71 0.00 0.00 66.02 61.43 1jdt s SER 157 CO 0.04 -0.65 0.30 0.47 1.20 0.00 0.00 173.24 174.60 1jdt n ASP 158 N -1.41 1.73 -3.83 5.45 8.00 -1.26 -4.42 116.55 120.81 1jdt n ASP 158 Ca 0.07 -0.33 -0.29 0.00 0.71 0.00 0.00 54.79 54.95 1jdt n ASP 158 Cb 0.54 1.24 -0.13 0.00 -0.02 0.00 0.00 41.12 42.75 1jdt n ASP 158 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jdt s ALA 159 N -2.31 2.89 0.25 2.24 0.00 -1.26 -4.97 121.76 118.59 1jdt s ALA 159 Ca -0.00 -3.09 -0.04 0.00 0.00 0.00 0.00 51.96 48.83 1jdt s ALA 159 Cb 0.07 -2.03 0.50 0.00 0.00 0.00 0.00 23.12 21.66 1jdt s ALA 159 CO 0.39 -2.05 1.68 0.35 0.00 0.00 0.00 175.76 176.13 1jdt h PHE 160 N 6.33 0.28 -0.52 0.00 3.57 -1.99 -1.07 116.94 123.56 1jdt h PHE 160 Ca 0.00 0.04 -0.27 0.00 3.53 0.00 0.00 57.97 61.28 1jdt h PHE 160 Cb 0.88 -0.01 -0.16 0.00 2.79 0.00 0.00 35.95 39.45 1jdt h PHE 160 CO 0.52 -0.11 0.34 0.66 -2.23 0.00 0.00 178.31 177.50 1jdt n TYR 161 N -5.17 1.59 -3.18 0.41 4.02 -1.26 -4.14 117.16 109.43 1jdt n TYR 161 Ca 0.15 -1.20 -0.20 0.00 -0.01 0.00 0.00 57.90 56.64 1jdt n TYR 161 Cb 0.50 -0.61 -0.04 0.00 -0.02 0.00 0.00 39.34 39.16 1jdt n TYR 161 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jdt n ALA 162 N -0.35 2.10 -3.19 -0.72 0.00 -0.40 -4.99 120.51 112.96 1jdt n ALA 162 Ca 0.31 -3.35 -0.23 0.00 0.00 0.00 0.00 53.44 50.17 1jdt n ALA 162 Cb 1.11 -0.89 -0.07 0.00 0.00 0.00 0.00 19.45 19.60 1jdt n ALA 162 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jdt n GLU 163 N 0.79 0.64 -0.98 0.00 1.02 -1.26 -4.88 120.64 115.96 1jdt n GLU 163 Ca 0.23 -3.13 -0.23 0.00 -0.02 0.00 0.00 57.16 54.01 1jdt n GLU 163 Cb 0.60 -1.29 0.19 0.00 -0.02 0.00 0.00 31.44 30.92 1jdt n GLU 163 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1jdt n ASP 164 N 1.64 -1.37 -0.08 1.62 3.85 -1.26 -4.86 116.55 116.09 1jdt n ASP 164 Ca 0.22 -1.11 -0.07 0.00 -0.71 0.00 0.00 54.79 53.12 1jdt n ASP 164 Cb 0.53 -0.79 -0.00 0.00 -1.35 0.00 0.00 41.12 39.51 1jdt n ASP 164 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1jdt h GLU 165 N 0.00 0.08 -0.96 0.11 5.08 -2.01 -1.51 114.58 115.37 1jdt h GLU 165 Ca -0.33 -0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.23 1jdt h GLU 165 Cb 0.97 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 30.09 1jdt h GLU 165 CO 0.22 0.05 0.55 0.93 -1.00 0.00 0.00 179.01 179.76 1jdt h GLU 166 N 0.09 0.64 -0.74 2.33 5.08 -2.01 -0.15 114.58 119.81 1jdt h GLU 166 Ca 0.14 -0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.63 1jdt h GLU 166 Cb 0.19 -0.14 -0.13 0.00 0.50 0.00 0.00 28.75 29.17 1jdt h GLU 166 CO -0.24 0.42 -0.03 0.35 -1.00 0.00 0.00 179.01 178.50 1jdt h PHE 167 N 0.66 -0.12 0.38 4.33 3.57 -1.60 -0.90 116.94 123.25 1jdt h PHE 167 Ca 0.57 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 62.11 1jdt h PHE 167 Cb 0.94 0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.85 1jdt h PHE 167 CO -0.04 -0.25 -0.18 0.28 -2.23 0.00 0.00 178.31 175.89 1jdt h VAL 168 N 0.08 0.63 -0.59 1.41 2.07 -1.00 -2.22 116.25 116.63 1jdt h VAL 168 Ca 0.39 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.84 1jdt h VAL 168 Cb 0.67 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1jdt h VAL 168 CO -0.67 0.01 0.27 0.50 0.02 0.00 0.00 177.57 177.70 1jdt h LYS 169 N -0.54 0.84 0.24 1.57 3.64 -1.44 -0.37 116.57 120.50 1jdt h LYS 169 Ca -0.05 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1jdt h LYS 169 Cb 0.41 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1jdt h LYS 169 CO 0.09 0.66 -0.12 -0.22 -2.27 0.00 0.00 179.45 177.59 1jdt h LYS 170 N 0.83 -0.31 0.02 1.90 3.64 -1.04 -1.51 116.57 120.10 1jdt h LYS 170 Ca 0.20 0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.40 1jdt h LYS 170 Cb 0.11 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1jdt h LYS 170 CO -0.02 -0.14 -0.93 -1.49 -2.27 0.00 0.00 179.45 174.59 1jdt h TRP 171 N -0.42 0.31 -0.07 1.91 4.06 -1.32 -2.95 115.95 117.47 1jdt h TRP 171 Ca -0.03 -0.18 -0.11 0.00 2.06 0.00 0.00 58.89 60.63 1jdt h TRP 171 Cb 0.32 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 1jdt h TRP 171 CO -0.04 1.02 -0.44 0.66 -3.56 0.00 0.00 178.44 176.09 1jdt h SER 172 N 0.10 0.17 1.03 -3.49 4.64 -1.10 -1.77 113.55 113.13 1jdt h SER 172 Ca -0.05 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1jdt h SER 172 Cb 1.58 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1jdt h SER 172 CO 0.14 0.59 0.00 -1.54 -0.87 0.00 0.00 176.83 175.15 1jdt n SER 173 N -4.01 0.32 -1.62 4.97 3.41 -0.57 -2.79 113.62 113.34 1jdt n SER 173 Ca -0.02 0.54 0.08 0.00 -0.26 0.00 0.00 58.87 59.21 1jdt n SER 173 Cb 0.49 -0.62 0.35 0.00 -0.26 0.00 0.00 64.21 64.16 1jdt n SER 173 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jdt n ARG 174 N -1.82 3.97 -0.78 4.33 1.74 -0.75 -4.91 116.66 118.44 1jdt n ARG 174 Ca 0.05 -2.76 0.00 0.00 -0.77 0.00 0.00 57.85 54.38 1jdt n ARG 174 Cb 0.33 -2.00 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 1jdt n ARG 174 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jdt n GLY 175 N 0.89 0.60 3.78 -0.13 0.00 -1.12 -5.05 105.19 104.17 1jdt n GLY 175 Ca 0.25 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1jdt n GLY 175 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jdt s ASN 176 N -2.07 6.41 0.00 1.61 0.01 -0.74 -4.25 114.94 115.91 1jdt s ASN 176 Ca 0.00 0.48 0.18 0.00 -0.71 0.00 0.00 52.86 52.82 1jdt s ASN 176 Cb 0.00 -2.14 0.10 0.00 0.41 0.00 0.00 41.25 39.62 1jdt s ASN 176 CO 0.00 0.23 1.03 2.30 -1.51 0.00 0.00 177.10 179.15 1jdt n ILE 177 N 2.93 0.00 -3.48 0.60 -5.35 -0.41 -3.93 119.36 109.72 1jdt n ILE 177 Ca -0.15 -0.44 -0.10 0.00 -0.27 0.00 0.00 62.75 61.79 1jdt n ILE 177 Cb 0.53 1.33 -0.02 0.00 -1.74 0.00 0.00 39.64 39.74 1jdt n ILE 177 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jdt s ALA 178 N -1.70 -1.76 -0.03 -1.28 0.00 -1.25 -0.23 121.76 115.52 1jdt s ALA 178 Ca 0.19 0.89 0.07 0.00 0.00 0.00 0.00 51.96 53.12 1jdt s ALA 178 Cb 0.15 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 1jdt s ALA 178 CO 0.30 -0.69 -0.25 0.54 0.00 0.00 0.00 175.76 175.66 1jdt s VAL 179 N -3.18 2.16 0.00 0.00 0.11 -0.07 -0.71 120.40 118.70 1jdt s VAL 179 Ca 0.03 -1.07 0.00 0.00 -2.93 0.00 0.00 61.98 58.02 1jdt s VAL 179 Cb -0.01 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.08 1jdt s VAL 179 CO -0.09 0.58 0.00 1.21 -3.33 0.00 0.00 175.10 173.47 1jdt n GLU 180 N 2.48 0.00 0.00 1.54 0.00 -0.17 -1.94 120.64 122.55 1jdt n GLU 180 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.00 1jdt n GLU 180 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.95 1jdt n GLU 180 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1jdt n MET 181 N 0.00 3.69 0.00 5.31 2.81 -1.26 -0.33 117.12 127.34 1jdt n MET 181 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1jdt n MET 181 Cb 0.00 -0.38 0.00 0.00 -0.71 0.00 0.00 33.22 32.13 1jdt n MET 181 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1jdt n GLU 182 N -0.62 0.48 -0.18 0.03 0.00 -1.26 -3.68 120.64 115.40 1jdt n GLU 182 Ca 0.00 -0.60 -0.08 0.00 0.00 0.00 0.00 57.16 56.48 1jdt n GLU 182 Cb 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 31.44 30.73 1jdt n GLU 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jdt h ALA 184 N 1.02 0.27 -0.20 0.00 0.00 -1.88 -0.13 119.26 118.34 1jdt h ALA 184 Ca 0.17 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1jdt h ALA 184 Cb 0.29 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1jdt h ALA 184 CO -0.00 -0.40 0.13 1.15 0.00 0.00 0.00 179.25 180.13 1jdt h THR 185 N 0.10 1.05 0.19 0.00 2.02 -1.86 -1.51 112.91 112.90 1jdt h THR 185 Ca 0.14 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.24 1jdt h THR 185 Cb 0.18 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1jdt h THR 185 CO -0.23 0.05 -0.31 0.25 0.37 0.00 0.00 175.52 175.65 1jdt h LEU 186 N 0.27 -0.87 -0.01 2.58 5.85 -0.79 -0.81 115.31 121.53 1jdt h LEU 186 Ca 0.08 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1jdt h LEU 186 Cb -0.03 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1jdt h LEU 186 CO -0.02 -0.41 0.01 -0.26 -0.34 0.00 0.00 178.44 177.41 1jdt h PHE 187 N -0.58 0.02 -0.49 1.25 0.05 -0.96 -0.39 116.94 115.84 1jdt h PHE 187 Ca 0.01 -0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.75 1jdt h PHE 187 Cb 0.57 -0.01 -0.02 0.00 2.00 0.00 0.00 35.95 38.50 1jdt h PHE 187 CO -0.24 0.05 0.11 1.15 -0.18 0.00 0.00 178.31 179.20 1jdt h THR 188 N -0.02 1.24 -0.45 -1.55 2.02 -1.26 -0.60 112.91 112.30 1jdt h THR 188 Ca 0.01 -0.86 -0.10 0.00 0.77 0.00 0.00 66.41 66.22 1jdt h THR 188 Cb 0.04 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1jdt h THR 188 CO -0.00 0.31 -0.13 0.25 0.37 0.00 0.00 175.52 176.32 1jdt h LEU 189 N 0.68 0.82 -0.62 2.58 5.85 -1.11 -2.13 115.31 121.38 1jdt h LEU 189 Ca 0.15 -0.26 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 1jdt h LEU 189 Cb 0.35 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1jdt h LEU 189 CO 0.00 0.96 0.16 0.28 -0.34 0.00 0.00 178.44 179.51 1jdt h SER 190 N 0.74 0.93 -0.57 1.25 0.02 -0.79 0.44 113.55 115.56 1jdt h SER 190 Ca 0.12 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 1jdt h SER 190 Cb 0.63 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 1jdt h SER 190 CO 0.04 0.91 0.21 0.50 -1.14 0.00 0.00 176.83 177.35 1jdt h LYS 191 N 0.90 0.91 0.01 3.45 1.63 -0.89 0.34 116.57 122.92 1jdt h LYS 191 Ca 0.20 -0.16 -0.22 0.00 -0.85 0.00 0.00 60.65 59.61 1jdt h LYS 191 Cb 0.33 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1jdt h LYS 191 CO -0.00 0.77 -0.95 0.28 -3.45 0.00 0.00 179.45 176.10 1jdt h VAL 192 N 0.89 1.43 0.00 2.00 2.07 -1.09 -3.31 116.25 118.24 1jdt h VAL 192 Ca 0.20 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1jdt h VAL 192 Cb 0.23 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1jdt h VAL 192 CO -0.01 0.75 -0.80 0.29 0.02 0.00 0.00 177.57 177.82 1jdt n LYS 193 N -3.71 0.27 -0.82 1.57 4.76 0.12 -4.97 118.16 115.39 1jdt n LYS 193 Ca -0.06 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1jdt n LYS 193 Cb 0.84 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 1jdt n LYS 193 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1jdt n GLY 194 N 1.36 0.71 3.89 0.72 0.00 0.10 -5.06 105.19 106.92 1jdt n GLY 194 Ca 0.03 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 1jdt n GLY 194 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1jdt s TRP 195 N -2.00 3.46 -0.35 1.61 0.51 -0.03 -5.02 118.94 117.12 1jdt s TRP 195 Ca 0.00 0.82 -0.12 0.00 -2.12 0.00 0.00 56.10 54.68 1jdt s TRP 195 Cb 0.00 -2.24 -0.00 0.00 -0.81 0.00 0.00 33.47 30.42 1jdt s TRP 195 CO 0.00 0.13 0.22 0.15 -0.51 0.00 0.00 176.95 176.94 1jdt s LYS 196 N -3.40 3.29 0.16 4.98 1.02 -0.07 -4.50 119.74 121.22 1jdt s LYS 196 Ca 0.47 -0.77 0.05 0.00 0.02 0.00 0.00 55.97 55.74 1jdt s LYS 196 Cb -0.11 -3.75 -0.04 0.00 -0.52 0.00 0.00 37.83 33.41 1jdt s LYS 196 CO 0.27 -0.51 -0.12 -1.12 -0.92 0.00 0.00 175.35 172.96 1jdt s SER 197 N 1.66 2.01 0.28 2.83 0.01 -1.26 -0.72 113.70 118.53 1jdt s SER 197 Ca 0.05 -0.98 -0.17 0.00 1.31 0.00 0.00 55.95 56.16 1jdt s SER 197 Cb -0.18 -0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.02 1jdt s SER 197 CO 0.09 -0.26 0.64 0.00 0.41 0.00 0.00 173.24 174.12 1jdt s ALA 198 N -3.02 -0.76 -0.11 1.44 0.00 -0.69 0.16 121.76 118.78 1jdt s ALA 198 Ca 0.17 -0.60 -0.13 0.00 0.00 0.00 0.00 51.96 51.40 1jdt s ALA 198 Cb 0.00 0.91 0.03 0.00 0.00 0.00 0.00 23.12 24.07 1jdt s ALA 198 CO 0.02 -0.96 0.35 0.99 0.00 0.00 0.00 175.76 176.16 1jdt s THR 199 N -3.73 0.01 -0.03 0.00 2.01 -1.26 -1.08 115.64 111.55 1jdt s THR 199 Ca 0.16 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.11 1jdt s THR 199 Cb -0.04 -0.52 -0.00 0.00 0.01 0.00 0.00 72.50 71.96 1jdt s THR 199 CO 0.09 -0.04 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.15 1jdt s VAL 200 N -0.08 1.09 0.14 3.82 1.01 0.08 -2.36 120.40 124.11 1jdt s VAL 200 Ca -0.02 -0.53 0.10 0.00 0.00 0.00 0.00 61.98 61.52 1jdt s VAL 200 Cb -0.03 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1jdt s VAL 200 CO 0.01 0.33 -0.23 -0.76 0.00 0.00 0.00 175.10 174.45 1jdt s LEU 201 N 0.10 2.36 -0.21 3.92 1.43 0.23 -2.12 118.68 124.39 1jdt s LEU 201 Ca -0.03 -0.77 -0.06 0.00 -1.03 0.00 0.00 54.13 52.24 1jdt s LEU 201 Cb -0.10 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.05 1jdt s LEU 201 CO 0.01 0.10 0.03 -0.69 0.23 0.00 0.00 176.35 176.02 1jdt s VAL 202 N -1.37 4.11 -0.21 -1.59 1.01 0.15 -1.27 120.40 121.22 1jdt s VAL 202 Ca 0.13 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.57 1jdt s VAL 202 Cb -0.09 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1jdt s VAL 202 CO 0.06 0.40 1.79 -0.69 0.00 0.00 0.00 175.10 176.67 1jdt s VAL 203 N 1.15 3.46 -0.10 2.92 1.01 -0.66 -1.43 120.40 126.75 1jdt s VAL 203 Ca 0.03 0.51 0.21 0.00 0.00 0.00 0.00 61.98 62.73 1jdt s VAL 203 Cb -0.14 -3.50 -0.24 0.00 0.00 0.00 0.00 36.38 32.49 1jdt s VAL 203 CO 0.02 -0.24 0.58 -1.54 0.00 0.00 0.00 175.10 173.93 1jdt n SER 204 N 9.24 0.25 -3.48 3.32 3.41 0.27 -1.15 113.62 125.48 1jdt n SER 204 Ca 0.22 0.10 -0.13 0.00 -0.26 0.00 0.00 58.87 58.79 1jdt n SER 204 Cb 0.45 1.42 -0.03 0.00 -0.26 0.00 0.00 64.21 65.78 1jdt n SER 204 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1jdt s ASP 205 N -4.90 -0.55 -0.22 4.04 1.47 -1.19 -2.50 116.67 112.81 1jdt s ASP 205 Ca -0.06 0.16 0.02 0.00 1.18 0.00 0.00 52.55 53.85 1jdt s ASP 205 Cb 0.12 0.56 0.04 0.00 -0.34 0.00 0.00 42.92 43.30 1jdt s ASP 205 CO 0.87 -0.85 -0.15 0.21 0.68 0.00 0.00 175.17 175.93 1jdt s ASN 206 N -2.30 3.82 0.07 2.11 3.84 -1.26 -0.11 114.94 121.10 1jdt s ASN 206 Ca -0.02 -1.05 0.27 0.00 0.21 0.00 0.00 52.86 52.27 1jdt s ASN 206 Cb -0.01 -1.50 1.06 0.00 -0.55 0.00 0.00 41.25 40.25 1jdt s ASN 206 CO -0.06 -0.11 1.84 0.18 -2.79 0.00 0.00 177.10 176.16 1jdt n LEU 207 N 4.53 0.25 -0.90 3.21 4.77 -0.40 -2.90 117.00 125.56 1jdt n LEU 207 Ca -0.17 0.53 0.10 0.00 -0.03 0.00 0.00 56.01 56.43 1jdt n LEU 207 Cb 0.46 -0.45 0.26 0.00 -2.33 0.00 0.00 43.42 41.35 1jdt n LEU 207 CO 0.23 -0.09 0.71 0.00 -1.33 0.00 0.00 177.39 176.91 1jdt n ALA 208 N -1.59 2.44 -1.00 -1.18 0.00 -1.26 -5.00 120.51 112.92 1jdt n ALA 208 Ca 0.06 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1jdt n ALA 208 Cb 0.35 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1jdt n ALA 208 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jdt n LYS 209 N 0.94 0.00 -3.67 0.00 5.02 -1.14 -4.77 118.16 114.54 1jdt n LYS 209 Ca 0.17 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.32 1jdt n LYS 209 Cb 0.44 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.38 1jdt n LYS 209 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1jdt s ILE 214 N 0.00 0.04 0.55 -0.18 2.07 -1.04 -4.91 121.20 117.73 1jdt s ILE 214 Ca 0.00 -0.35 -0.15 0.00 -1.41 0.00 0.00 60.65 58.74 1jdt s ILE 214 Cb 0.00 -0.82 -0.07 0.00 0.13 0.00 0.00 42.46 41.71 1jdt s ILE 214 CO 0.00 -0.19 1.00 0.42 -1.91 0.00 0.00 174.94 174.26 1jdt s THR 215 N -1.66 4.52 0.31 4.00 -4.23 -1.26 -4.95 115.64 112.37 1jdt s THR 215 Ca -0.10 1.11 0.23 0.00 -1.18 0.00 0.00 61.69 61.74 1jdt s THR 215 Cb -0.03 -3.73 0.22 0.00 1.34 0.00 0.00 72.50 70.31 1jdt s THR 215 CO 0.04 -0.79 1.92 0.50 -0.54 0.00 0.00 174.62 175.75 1jdt h LYS 216 N 0.56 0.00 0.11 3.99 3.64 -2.02 -2.27 116.57 120.58 1jdt h LYS 216 Ca -0.46 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.91 1jdt h LYS 216 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1jdt h LYS 216 CO 0.61 0.22 -0.05 1.49 -2.27 0.00 0.00 179.45 179.45 1jdt h GLU 217 N 0.00 -0.14 -0.19 1.90 4.81 -2.00 -2.95 114.58 116.01 1jdt h GLU 217 Ca -0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1jdt h GLU 217 Cb 0.56 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1jdt h GLU 217 CO 0.03 0.37 -0.01 0.93 -0.73 0.00 0.00 179.01 179.59 1jdt h GLU 218 N -0.80 0.27 0.57 1.92 4.39 -1.95 -1.42 114.58 117.56 1jdt h GLU 218 Ca -0.01 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 1jdt h GLU 218 Cb 0.57 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1jdt h GLU 218 CO 0.02 0.31 -0.29 1.25 -1.16 0.00 0.00 179.01 179.15 1jdt h LEU 219 N 0.27 -0.69 -1.33 1.33 5.85 -1.47 -1.11 115.31 118.16 1jdt h LEU 219 Ca 0.06 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.89 1jdt h LEU 219 Cb 0.21 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 1jdt h LEU 219 CO 0.01 -0.48 0.51 -0.33 -0.34 0.00 0.00 178.44 177.80 1jdt h GLU 220 N -0.79 0.76 -0.39 1.25 5.08 -1.28 0.38 114.58 119.60 1jdt h GLU 220 Ca -0.08 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1jdt h GLU 220 Cb 0.61 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1jdt h GLU 220 CO 0.11 0.51 0.22 -0.22 -1.00 0.00 0.00 179.01 178.63 1jdt h LYS 221 N 0.79 0.53 -0.27 2.33 3.64 -0.82 0.14 116.57 122.90 1jdt h LYS 221 Ca 0.34 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.55 1jdt h LYS 221 Cb 0.32 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1jdt h LYS 221 CO -0.12 0.43 -0.26 0.77 -2.27 0.00 0.00 179.45 178.00 1jdt h SER 222 N 0.50 0.70 0.21 4.20 0.02 -0.26 -2.26 113.55 116.65 1jdt h SER 222 Ca 0.14 -0.47 0.01 0.00 -0.84 0.00 0.00 61.79 60.63 1jdt h SER 222 Cb 0.04 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 1jdt h SER 222 CO -0.02 1.02 -0.43 0.58 -1.14 0.00 0.00 176.83 176.83 1jdt h VAL 223 N 0.39 0.14 -0.18 2.27 2.07 -0.01 -0.88 116.25 120.03 1jdt h VAL 223 Ca 0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1jdt h VAL 223 Cb 0.82 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1jdt h VAL 223 CO 0.06 0.00 -0.08 0.24 0.02 0.00 0.00 177.57 177.82 1jdt h MET 224 N -0.73 -0.05 -0.59 1.57 2.86 -0.75 0.21 114.93 117.45 1jdt h MET 224 Ca 0.00 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.77 1jdt h MET 224 Cb 0.71 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 1jdt h MET 224 CO -0.20 -0.03 0.40 -0.44 1.06 0.00 0.00 176.91 177.70 1jdt h ASP 225 N -0.05 0.24 0.36 1.22 3.32 -1.10 -2.71 116.42 117.69 1jdt h ASP 225 Ca 0.10 0.01 -0.31 0.00 0.02 0.00 0.00 57.03 56.84 1jdt h ASP 225 Cb 0.20 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 1jdt h ASP 225 CO -0.22 0.13 -1.87 0.61 -1.72 0.00 0.00 179.24 176.17 1jdt n GLY 226 N -1.56 -0.95 0.33 2.75 0.00 -0.36 -4.10 105.19 101.30 1jdt n GLY 226 Ca 0.10 -0.11 0.16 0.00 0.00 0.00 0.00 46.02 46.17 1jdt n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdt h ALA 227 N 0.90 1.99 -0.50 4.61 0.00 -0.28 0.79 119.26 126.77 1jdt h ALA 227 Ca -0.35 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1jdt h ALA 227 Cb 2.05 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.84 1jdt h ALA 227 CO 0.07 -0.30 0.00 0.87 0.00 0.00 0.00 179.25 179.89 1jdt h LYS 228 N 0.00 0.84 -0.18 0.00 1.57 -1.70 -0.41 116.57 116.69 1jdt h LYS 228 Ca 0.10 -0.23 -0.17 0.00 -1.87 0.00 0.00 60.65 58.48 1jdt h LYS 228 Cb 0.48 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1jdt h LYS 228 CO -0.00 0.84 -0.59 0.00 -0.57 0.00 0.00 179.45 179.13 1jdt h ALA 229 N 1.22 0.63 -0.30 3.86 0.00 -1.07 -2.63 119.26 120.97 1jdt h ALA 229 Ca 0.15 -0.53 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 1jdt h ALA 229 Cb 0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1jdt h ALA 229 CO 0.02 0.70 -0.01 0.28 0.00 0.00 0.00 179.25 180.24 1jdt h VAL 230 N 0.43 1.26 -0.71 0.00 2.07 -1.00 -2.01 116.25 116.29 1jdt h VAL 230 Ca -0.00 -0.97 -0.07 0.00 0.82 0.00 0.00 66.70 66.48 1jdt h VAL 230 Cb 1.15 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 1jdt h VAL 230 CO 0.11 0.31 0.16 -0.07 0.02 0.00 0.00 177.57 178.11 1jdt h LEU 231 N 0.32 1.08 -0.33 2.57 3.38 -1.10 0.94 115.31 122.17 1jdt h LEU 231 Ca 0.08 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1jdt h LEU 231 Cb 0.45 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1jdt h LEU 231 CO 0.02 1.04 0.22 0.44 0.09 0.00 0.00 178.44 180.24 1jdt h ASP 232 N 1.08 0.38 0.40 -0.43 3.32 -1.40 -1.39 116.42 118.38 1jdt h ASP 232 Ca 0.22 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1jdt h ASP 232 Cb 0.39 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1jdt h ASP 232 CO 0.00 0.28 -0.26 0.74 -1.72 0.00 0.00 179.24 178.28 1jdt h THR 233 N 0.44 0.45 -0.99 0.35 2.02 -0.95 0.05 112.91 114.29 1jdt h THR 233 Ca 0.12 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.51 1jdt h THR 233 Cb -0.05 0.45 -0.09 0.00 -1.74 0.00 0.00 68.15 66.72 1jdt h THR 233 CO -0.03 0.00 0.62 -0.07 0.37 0.00 0.00 175.52 176.42 1jdt h LEU 234 N -0.64 0.60 -2.43 2.58 3.38 -0.58 -0.72 115.31 117.50 1jdt h LEU 234 Ca -0.04 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1jdt h LEU 234 Cb 0.54 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1jdt h LEU 234 CO 0.03 0.20 0.00 0.35 0.09 0.00 0.00 178.44 179.11 1jdt n THR 235 N -4.67 0.70 1.44 0.22 -2.24 -0.54 -4.99 114.28 104.19 1jdt n THR 235 Ca 0.23 -0.83 0.12 0.00 -2.27 0.00 0.00 64.05 61.29 1jdt n THR 235 Cb 0.68 0.74 0.69 0.00 -2.10 0.00 0.00 70.33 70.34 1jdt n THR 235 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96