#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q2h n PRO -5 N 0.00 1.78 -4.40 -1.09 -0.02 -1.26 -5.05 135.00 124.97 2q2h n PRO -5 Ca 0.00 0.65 -0.20 0.00 -2.02 0.00 0.00 63.50 61.93 2q2h n PRO -5 Cb 0.00 -2.52 -0.10 0.00 -0.02 0.00 0.00 33.50 30.86 2q2h n PRO -5 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2q2h s THR -4 N -1.27 1.50 0.05 3.45 -4.23 -1.26 -5.17 115.64 108.71 2q2h s THR -4 Ca 0.68 -2.11 -0.15 0.00 -1.18 0.00 0.00 61.69 58.93 2q2h s THR -4 Cb -0.44 -2.38 0.03 0.00 1.34 0.00 0.00 72.50 71.04 2q2h s THR -4 CO 0.52 -0.34 0.34 0.00 -0.54 0.00 0.00 174.62 174.61 2q2h s ALA -3 N -3.11 -0.80 0.63 3.99 0.00 -1.26 -5.17 121.76 116.05 2q2h s ALA -3 Ca 0.28 0.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 2q2h s ALA -3 Cb 0.04 0.35 0.09 0.00 0.00 0.00 0.00 23.12 23.60 2q2h s ALA -3 CO 0.10 -0.44 0.61 0.00 0.00 0.00 0.00 175.76 176.03 2q2h n ALA -2 N 0.50 0.03 -0.99 0.00 0.00 -1.26 -5.08 120.51 113.71 2q2h n ALA -2 Ca -0.18 -1.14 -0.30 0.00 0.00 0.00 0.00 53.44 51.81 2q2h n ALA -2 Cb 0.60 0.17 0.14 0.00 0.00 0.00 0.00 19.45 20.36 2q2h n ALA -2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2q2h s ASN -1 N -3.44 3.41 0.35 0.00 4.22 -1.26 -4.98 114.94 113.24 2q2h s ASN -1 Ca 0.40 1.84 -0.29 0.00 -2.14 0.00 0.00 52.86 52.67 2q2h s ASN -1 Cb -0.02 -2.44 -0.11 0.00 1.28 0.00 0.00 41.25 39.96 2q2h s ASN -1 CO 0.26 -2.74 1.51 -0.55 -2.04 0.00 0.00 177.10 173.55 2q2h s SER 2 N -3.08 6.36 -0.12 3.54 0.15 -1.26 -4.93 113.70 114.36 2q2h s SER 2 Ca 0.64 3.01 0.13 0.00 0.70 0.00 0.00 55.95 60.44 2q2h s SER 2 Cb -0.20 -2.66 0.59 0.00 -1.71 0.00 0.00 66.02 62.04 2q2h s SER 2 CO 0.58 -0.88 1.45 0.61 1.20 0.00 0.00 173.24 176.20 2q2h n GLY 3 N 0.92 2.32 3.82 9.45 0.00 -1.26 -5.00 105.19 115.43 2q2h n GLY 3 Ca 0.03 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 2q2h n GLY 3 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2q2h s GLU 4 N -1.98 3.38 0.24 1.61 2.02 -1.26 -5.08 118.70 117.63 2q2h s GLU 4 Ca 0.41 1.06 0.05 0.00 0.02 0.00 0.00 54.97 56.51 2q2h s GLU 4 Cb 0.28 -2.05 -0.05 0.00 0.10 0.00 0.00 34.13 32.41 2q2h s GLU 4 CO 0.17 -0.75 -0.05 0.96 0.02 0.00 0.00 175.26 175.61 2q2h s ILE 5 N -2.68 1.36 0.65 -1.63 -4.36 -1.26 -5.16 121.20 108.12 2q2h s ILE 5 Ca 0.61 -2.09 -0.10 0.00 -0.26 0.00 0.00 60.65 58.81 2q2h s ILE 5 Cb -0.14 -2.29 -0.00 0.00 1.25 0.00 0.00 42.46 41.28 2q2h s ILE 5 CO 0.41 -0.40 1.03 -0.94 0.24 0.00 0.00 174.94 175.28 2q2h s SER 6 N -3.34 5.72 0.24 4.36 1.04 -1.26 -4.99 113.70 115.46 2q2h s SER 6 Ca 0.27 1.12 -0.07 0.00 0.48 0.00 0.00 55.95 57.75 2q2h s SER 6 Cb 0.04 -2.04 0.25 0.00 0.10 0.00 0.00 66.02 64.37 2q2h s SER 6 CO 0.09 -1.13 1.90 0.22 0.98 0.00 0.00 173.24 175.30 2q2h h TYR 7 N -0.44 1.14 -0.99 5.02 5.03 -2.01 -2.59 116.97 122.14 2q2h h TYR 7 Ca -0.45 0.03 0.12 0.00 2.58 0.00 0.00 58.73 61.01 2q2h h TYR 7 Cb 1.24 -0.38 -0.08 0.00 1.55 0.00 0.00 36.73 39.05 2q2h h TYR 7 CO 0.54 0.70 0.62 0.00 -1.32 0.00 0.00 178.16 178.69 2q2h h ALA 8 N 1.36 1.49 0.00 1.82 0.00 -1.98 0.25 119.26 122.20 2q2h h ALA 8 Ca 0.35 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 2q2h h ALA 8 Cb -0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2q2h h ALA 8 CO -0.09 0.20 -0.03 -0.44 0.00 0.00 0.00 179.25 178.89 2q2h h ASP 9 N 0.97 0.00 0.00 0.00 3.45 -1.86 -1.28 116.42 117.70 2q2h h ASP 9 Ca 0.49 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.95 2q2h h ASP 9 Cb 0.49 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 2q2h h ASP 9 CO -0.27 0.03 -0.00 0.15 -1.57 0.00 0.00 179.24 177.58 2q2h h PHE 10 N 0.00 0.00 -0.17 4.55 3.57 -1.07 -3.39 116.94 120.43 2q2h h PHE 10 Ca -0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2q2h h PHE 10 Cb 0.75 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 2q2h h PHE 10 CO 0.00 0.90 -0.00 1.49 -2.23 0.00 0.00 178.31 178.47 2q2h h GLU 11 N -0.90 0.25 0.00 1.11 4.22 -0.23 -2.26 114.58 116.77 2q2h h GLU 11 Ca -0.00 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.41 2q2h h GLU 11 Cb 0.90 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2q2h h GLU 11 CO 0.00 0.28 0.00 1.57 -2.18 0.00 0.00 179.01 178.68 2q2h h LYS 12 N 0.25 0.00 -6.28 1.92 2.10 -1.43 -3.39 116.57 109.74 2q2h h LYS 12 Ca 0.06 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 58.13 2q2h h LYS 12 Cb 0.17 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.43 2q2h h LYS 12 CO 0.00 0.00 0.79 0.08 -2.00 0.00 0.00 179.45 178.33 2q2h s VAL 13 N -3.69 4.51 -0.66 0.07 1.01 -0.85 -4.99 120.40 115.80 2q2h s VAL 13 Ca 0.00 1.60 -0.18 0.00 0.00 0.00 0.00 61.98 63.40 2q2h s VAL 13 Cb 0.10 -4.41 0.13 0.00 0.00 0.00 0.00 36.38 32.20 2q2h s VAL 13 CO 0.47 -0.52 0.72 -0.62 0.00 0.00 0.00 175.10 175.16 2q2h s ASP 14 N 1.75 6.32 -0.22 3.32 -1.08 -1.26 -5.01 116.67 120.49 2q2h s ASP 14 Ca 0.44 -1.76 -0.08 0.00 -0.52 0.00 0.00 52.55 50.63 2q2h s ASP 14 Cb -0.12 -2.28 -0.04 0.00 -1.46 0.00 0.00 42.92 39.02 2q2h s ASP 14 CO 0.17 -0.98 0.08 -0.63 0.52 0.00 0.00 175.17 174.33 2q2h s ILE 15 N 2.10 4.69 0.21 4.11 1.01 -1.26 -1.24 121.20 130.82 2q2h s ILE 15 Ca 0.13 -0.06 0.10 0.00 0.00 0.00 0.00 60.65 60.82 2q2h s ILE 15 Cb -0.21 -3.15 -0.05 0.00 0.01 0.00 0.00 42.46 39.06 2q2h s ILE 15 CO 0.02 0.39 -0.19 -0.13 0.00 0.00 0.00 174.94 175.03 2q2h s ARG 16 N 0.98 1.43 -0.12 2.79 1.81 -0.23 -0.98 118.95 124.63 2q2h s ARG 16 Ca 0.04 -1.56 -0.08 0.00 -1.72 0.00 0.00 55.73 52.42 2q2h s ARG 16 Cb -0.14 -1.49 -0.04 0.00 -0.45 0.00 0.00 34.95 32.83 2q2h s ARG 16 CO 0.03 0.29 0.17 0.54 -0.68 0.00 0.00 175.30 175.65 2q2h s VAL 17 N -2.28 5.45 0.22 3.52 0.11 -0.77 -1.10 120.40 125.55 2q2h s VAL 17 Ca 0.22 0.27 -0.12 0.00 -2.93 0.00 0.00 61.98 59.42 2q2h s VAL 17 Cb -0.05 -3.44 -0.00 0.00 -1.53 0.00 0.00 36.38 31.36 2q2h s VAL 17 CO 0.09 0.60 0.43 -0.83 -3.33 0.00 0.00 175.10 172.06 2q2h s GLY 18 N -0.89 0.45 -0.18 6.54 0.00 -0.56 -0.61 107.32 112.07 2q2h s GLY 18 Ca 0.15 -0.80 -0.06 0.00 0.00 0.00 0.00 44.72 44.01 2q2h s GLY 18 CO 0.04 -0.64 0.02 -1.59 0.00 0.00 0.00 173.10 170.93 2q2h s THR 19 N -3.99 4.34 0.07 0.90 2.01 -0.57 -0.74 115.64 117.66 2q2h s THR 19 Ca 0.20 -0.19 -0.31 0.00 0.31 0.00 0.00 61.69 61.70 2q2h s THR 19 Cb 0.00 -2.95 -0.08 0.00 0.01 0.00 0.00 72.50 69.49 2q2h s THR 19 CO 0.05 0.45 1.65 -0.63 -0.69 0.00 0.00 174.62 175.45 2q2h s ILE 20 N 0.59 3.03 -0.02 1.82 1.01 -0.03 0.03 121.20 127.63 2q2h s ILE 20 Ca 0.01 0.49 0.11 0.00 0.00 0.00 0.00 60.65 61.26 2q2h s ILE 20 Cb -0.14 -3.31 -0.17 0.00 0.01 0.00 0.00 42.46 38.85 2q2h s ILE 20 CO 0.02 -0.00 0.23 1.33 0.00 0.00 0.00 174.94 176.52 2q2h n VAL 21 N 4.71 0.05 -3.89 2.92 0.24 0.15 -0.51 118.33 122.01 2q2h n VAL 21 Ca 0.16 -0.27 -0.11 0.00 -2.04 0.00 0.00 64.34 62.08 2q2h n VAL 21 Cb 0.40 0.17 -0.11 0.00 -1.47 0.00 0.00 33.84 32.84 2q2h n VAL 21 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2q2h s GLU 22 N -2.75 0.38 -0.17 7.34 2.12 -1.13 -4.93 118.70 119.57 2q2h s GLU 22 Ca -0.04 -0.34 -0.09 0.00 0.36 0.00 0.00 54.97 54.86 2q2h s GLU 22 Cb 0.07 0.16 0.06 0.00 0.26 0.00 0.00 34.13 34.67 2q2h s GLU 22 CO 0.47 -0.08 0.40 0.00 -0.54 0.00 0.00 175.26 175.51 2q2h s ALA 23 N -1.13 -1.01 0.07 6.30 0.00 -1.26 -1.39 121.76 123.34 2q2h s ALA 23 Ca -0.12 1.49 -0.05 0.00 0.00 0.00 0.00 51.96 53.28 2q2h s ALA 23 Cb -0.07 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 2q2h s ALA 23 CO 0.01 -0.27 0.08 0.14 0.00 0.00 0.00 175.76 175.72 2q2h s VAL 24 N 1.42 0.18 0.78 0.00 -7.23 -0.27 -4.77 120.40 110.50 2q2h s VAL 24 Ca -0.09 -1.51 -0.14 0.00 -1.81 0.00 0.00 61.98 58.42 2q2h s VAL 24 Cb -0.09 -1.45 0.07 0.00 0.56 0.00 0.00 36.38 35.47 2q2h s VAL 24 CO -0.12 -0.82 1.22 -2.65 -0.31 0.00 0.00 175.10 172.42 2q2h n PRO 25 N 0.02 0.34 -3.71 4.82 -0.02 -1.26 -0.73 135.00 134.46 2q2h n PRO 25 Ca -0.14 0.19 -0.36 0.00 -2.02 0.00 0.00 63.50 61.17 2q2h n PRO 25 Cb 0.62 -2.45 -0.09 0.00 -0.02 0.00 0.00 33.50 31.55 2q2h n PRO 25 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2q2h s PHE 26 N -2.00 3.53 0.45 6.00 2.19 -0.44 -4.45 117.98 123.25 2q2h s PHE 26 Ca 0.75 -2.85 0.13 0.00 0.33 0.00 0.00 56.93 55.30 2q2h s PHE 26 Cb -0.31 -3.17 1.06 0.00 -1.31 0.00 0.00 43.02 39.29 2q2h s PHE 26 CO 0.49 -0.79 2.03 -1.35 1.83 0.00 0.00 175.22 177.43 2q2h h PRO 27 N 6.64 0.33 -0.00 10.12 0.11 -1.93 -1.89 132.00 145.37 2q2h h PRO 27 Ca 0.04 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2q2h h PRO 27 Cb 0.90 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2q2h h PRO 27 CO 0.75 0.22 -0.36 0.39 -0.21 0.00 0.00 178.00 178.79 2q2h n GLU 28 N -4.47 0.51 -1.75 1.05 4.71 -1.26 -4.93 120.64 114.50 2q2h n GLU 28 Ca 0.06 -0.30 -0.42 0.00 -0.01 0.00 0.00 57.16 56.49 2q2h n GLU 28 Cb 0.26 -1.49 -0.00 0.00 -1.01 0.00 0.00 31.44 29.20 2q2h n GLU 28 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2q2h n ALA 29 N -0.98 1.96 -0.08 0.62 0.00 -0.71 -4.92 120.51 116.39 2q2h n ALA 29 Ca 0.09 0.34 -0.12 0.00 0.00 0.00 0.00 53.44 53.76 2q2h n ALA 29 Cb 0.34 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.39 2q2h n ALA 29 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2q2h h ARG 30 N 2.75 0.46 -6.34 0.00 2.43 -1.91 -3.42 114.38 108.34 2q2h h ARG 30 Ca -0.49 -0.17 -0.66 0.00 -0.81 0.00 0.00 59.98 57.85 2q2h h ARG 30 Cb 1.26 -0.03 -0.15 0.00 -0.42 0.00 0.00 29.97 30.63 2q2h h ARG 30 CO 0.63 0.67 -0.69 0.15 -1.51 0.00 0.00 179.97 179.22 2q2h s LYS 31 N -4.82 2.50 0.21 0.20 1.02 -1.26 -5.07 119.74 112.52 2q2h s LYS 31 Ca -0.14 -0.80 -0.32 0.00 0.02 0.00 0.00 55.97 54.73 2q2h s LYS 31 Cb 0.07 -2.50 -0.15 0.00 -0.52 0.00 0.00 37.83 34.73 2q2h s LYS 31 CO 0.76 0.57 1.19 -2.30 -0.92 0.00 0.00 175.35 174.64 2q2h n PRO 32 N 1.02 1.40 -3.90 -1.68 -0.02 -1.26 -4.97 135.00 125.59 2q2h n PRO 32 Ca -0.13 0.50 -0.10 0.00 -2.02 0.00 0.00 63.50 61.75 2q2h n PRO 32 Cb 0.52 -2.01 -0.06 0.00 -0.02 0.00 0.00 33.50 31.93 2q2h n PRO 32 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2q2h s ALA 33 N -0.32 -0.25 -0.06 3.55 0.00 -1.26 -4.29 121.76 119.12 2q2h s ALA 33 Ca 0.69 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.98 2q2h s ALA 33 Cb -0.78 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.21 2q2h s ALA 33 CO 0.53 -0.70 -0.18 0.42 0.00 0.00 0.00 175.76 175.84 2q2h s ILE 34 N -3.95 1.50 -0.05 0.00 1.01 -0.53 -1.33 121.20 117.85 2q2h s ILE 34 Ca 0.15 -0.73 -0.18 0.00 0.00 0.00 0.00 60.65 59.89 2q2h s ILE 34 Cb 0.02 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.14 2q2h s ILE 34 CO -0.00 0.43 0.49 -0.54 0.00 0.00 0.00 174.94 175.32 2q2h s LYS 35 N 0.22 4.23 0.14 2.79 1.02 0.09 -1.16 119.74 127.08 2q2h s LYS 35 Ca -0.09 0.52 0.06 0.00 0.02 0.00 0.00 55.97 56.49 2q2h s LYS 35 Cb -0.14 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 2q2h s LYS 35 CO 0.04 0.36 -0.14 0.14 -0.92 0.00 0.00 175.35 174.83 2q2h s VAL 36 N -0.07 1.40 -0.12 3.17 -7.23 0.36 -1.11 120.40 116.80 2q2h s VAL 36 Ca 0.27 -1.86 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 2q2h s VAL 36 Cb -0.16 -1.68 -0.01 0.00 0.56 0.00 0.00 36.38 35.08 2q2h s VAL 36 CO 0.13 -0.49 -0.16 -0.54 -0.31 0.00 0.00 175.10 173.73 2q2h s LYS 37 N -3.00 3.23 -0.12 4.82 1.02 -0.49 -1.43 119.74 123.77 2q2h s LYS 37 Ca 0.13 -0.73 0.02 0.00 0.02 0.00 0.00 55.97 55.41 2q2h s LYS 37 Cb -0.03 -2.54 -0.00 0.00 -0.52 0.00 0.00 37.83 34.74 2q2h s LYS 37 CO 0.03 0.25 -0.20 0.42 -0.92 0.00 0.00 175.35 174.93 2q2h s ILE 38 N 0.25 2.34 -0.53 2.17 1.01 0.52 -0.68 121.20 126.27 2q2h s ILE 38 Ca -0.11 -0.91 -0.23 0.00 0.00 0.00 0.00 60.65 59.40 2q2h s ILE 38 Cb -0.16 -1.94 0.04 0.00 0.01 0.00 0.00 42.46 40.42 2q2h s ILE 38 CO 0.06 0.54 0.89 -0.62 0.00 0.00 0.00 174.94 175.81 2q2h s ASP 39 N 0.53 6.34 -0.17 3.58 -1.08 0.10 -0.96 116.67 125.00 2q2h s ASP 39 Ca -0.13 -0.38 0.07 0.00 -0.52 0.00 0.00 52.55 51.59 2q2h s ASP 39 Cb -0.17 -2.41 0.48 0.00 -1.46 0.00 0.00 42.92 39.36 2q2h s ASP 39 CO 0.05 -1.15 1.33 0.49 0.52 0.00 0.00 175.17 176.40 2q2h n PHE 40 N 7.23 1.41 0.00 -5.34 3.01 -0.42 -1.51 117.46 121.83 2q2h n PHE 40 Ca 0.01 -0.64 0.00 0.00 1.01 0.00 0.00 57.45 57.83 2q2h n PHE 40 Cb 0.47 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 2q2h n PHE 40 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2q2h n GLY 41 N 0.18 0.15 0.23 1.37 0.00 -1.26 -2.52 105.19 103.33 2q2h n GLY 41 Ca 0.21 -1.88 0.07 0.00 0.00 0.00 0.00 46.02 44.43 2q2h n GLY 41 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2q2h h PRO 42 N 0.00 0.00 0.04 1.61 0.13 -1.92 0.25 132.00 132.11 2q2h h PRO 42 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2q2h h PRO 42 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2q2h h PRO 42 CO 0.00 0.17 -0.02 0.93 -0.23 0.00 0.00 178.00 178.85 2q2h h GLU 43 N 0.00 -0.06 -0.11 0.86 3.07 -1.95 -3.38 114.58 113.02 2q2h h GLU 43 Ca -0.00 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.63 2q2h h GLU 43 Cb 0.32 0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2q2h h GLU 43 CO 0.02 0.42 -0.85 0.82 -1.40 0.00 0.00 179.01 178.02 2q2h h ILE 44 N -0.97 1.28 0.00 3.13 2.04 -1.74 -3.50 117.51 117.75 2q2h h ILE 44 Ca -0.01 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.81 2q2h h ILE 44 Cb 0.50 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.68 2q2h h ILE 44 CO 0.01 0.65 0.00 0.61 0.00 0.00 0.00 178.15 179.41 2q2h n GLY 45 N 0.82 -1.79 3.74 5.37 0.00 0.88 -4.89 105.19 109.32 2q2h n GLY 45 Ca -0.09 -1.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 2q2h n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2q2h s ILE 46 N 0.00 5.21 0.07 -0.61 1.01 -1.26 -1.30 121.20 124.32 2q2h s ILE 46 Ca 0.00 0.78 0.07 0.00 0.00 0.00 0.00 60.65 61.50 2q2h s ILE 46 Cb 0.00 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 2q2h s ILE 46 CO 0.00 0.38 -0.18 -0.54 0.00 0.00 0.00 174.94 174.60 2q2h s LYS 47 N 0.34 1.10 0.11 2.79 -0.14 -0.14 -4.91 119.74 118.89 2q2h s LYS 47 Ca 0.22 -0.97 -0.18 0.00 -1.36 0.00 0.00 55.97 53.68 2q2h s LYS 47 Cb -0.14 -1.22 -0.07 0.00 -1.68 0.00 0.00 37.83 34.72 2q2h s LYS 47 CO 0.08 0.29 0.58 0.15 -0.76 0.00 0.00 175.35 175.70 2q2h s LYS 48 N -1.49 4.14 0.34 1.68 1.02 -1.26 -0.36 119.74 123.81 2q2h s LYS 48 Ca 0.04 0.68 -0.12 0.00 0.02 0.00 0.00 55.97 56.59 2q2h s LYS 48 Cb -0.09 -3.11 0.02 0.00 -0.52 0.00 0.00 37.83 34.13 2q2h s LYS 48 CO 0.02 0.57 0.63 0.45 -0.92 0.00 0.00 175.35 176.11 2q2h s SER 49 N -1.34 0.24 0.08 2.83 0.15 -0.52 -0.82 113.70 114.32 2q2h s SER 49 Ca 0.33 -1.15 -0.07 0.00 0.70 0.00 0.00 55.95 55.76 2q2h s SER 49 Cb -0.18 0.74 -0.01 0.00 -1.71 0.00 0.00 66.02 64.86 2q2h s SER 49 CO 0.19 -1.44 0.14 -0.94 1.20 0.00 0.00 173.24 172.39 2q2h s SER 50 N -3.09 0.20 -0.00 5.45 1.04 -1.26 -0.48 113.70 115.56 2q2h s SER 50 Ca 0.21 -0.73 -0.21 0.00 0.48 0.00 0.00 55.95 55.70 2q2h s SER 50 Cb -0.03 0.31 0.04 0.00 0.10 0.00 0.00 66.02 66.44 2q2h s SER 50 CO 0.13 -0.70 0.47 0.00 0.98 0.00 0.00 173.24 174.12 2q2h s ALA 51 N -3.87 -1.19 -1.34 5.32 0.00 -0.31 -4.53 121.76 115.84 2q2h s ALA 51 Ca 0.05 0.63 -0.10 0.00 0.00 0.00 0.00 51.96 52.54 2q2h s ALA 51 Cb 0.06 0.17 0.12 0.00 0.00 0.00 0.00 23.12 23.47 2q2h s ALA 51 CO -0.11 -0.38 2.05 0.94 0.00 0.00 0.00 175.76 178.27 2q2h n GLN 52 N 0.85 3.51 -1.41 0.00 7.27 -1.26 -1.45 117.38 124.89 2q2h n GLN 52 Ca -0.20 -3.23 0.00 0.00 0.07 0.00 0.00 57.00 53.65 2q2h n GLN 52 Cb 0.58 -2.99 0.10 0.00 2.41 0.00 0.00 30.24 30.33 2q2h n GLN 52 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 177.06 177.57 2q2h n ILE 53 N 3.66 1.35 0.64 1.69 -5.35 -1.26 -4.33 119.36 115.76 2q2h n ILE 53 Ca 0.46 -2.55 0.13 0.00 -0.27 0.00 0.00 62.75 60.52 2q2h n ILE 53 Cb 0.35 0.28 0.37 0.00 -1.74 0.00 0.00 39.64 38.90 2q2h n ILE 53 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2q2h n THR 54 N -0.42 0.53 0.04 7.28 -2.24 -1.26 -2.78 114.28 115.42 2q2h n THR 54 Ca 0.16 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 2q2h n THR 54 Cb 0.91 -0.49 -0.07 0.00 -2.10 0.00 0.00 70.33 68.57 2q2h n THR 54 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2q2h h VAL 55 N 0.00 0.84 0.00 2.28 2.07 -1.92 -3.37 116.25 116.16 2q2h h VAL 55 Ca 0.00 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.32 2q2h h VAL 55 Cb 0.73 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2q2h h VAL 55 CO 0.00 0.23 -0.86 1.41 0.02 0.00 0.00 177.57 178.37 2q2h n HIS 56 N -4.89 0.16 -4.35 1.57 8.25 -1.26 -4.99 115.22 109.72 2q2h n HIS 56 Ca -0.07 0.05 -0.18 0.00 -0.26 0.00 0.00 57.72 57.25 2q2h n HIS 56 Cb 0.26 -0.33 -0.10 0.00 1.12 0.00 0.00 29.99 30.94 2q2h n HIS 56 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2q2h s TYR 57 N -3.11 1.65 0.08 4.41 1.51 -1.12 -5.13 117.35 115.64 2q2h s TYR 57 Ca 0.06 -0.75 0.03 0.00 -1.01 0.00 0.00 57.07 55.41 2q2h s TYR 57 Cb 0.15 -0.89 -0.03 0.00 -0.11 0.00 0.00 41.96 41.08 2q2h s TYR 57 CO 0.78 0.17 -0.09 0.95 -1.11 0.00 0.00 175.55 176.25 2q2h s THR 58 N -3.18 0.77 0.49 -0.71 -4.23 -1.26 -4.46 115.64 103.05 2q2h s THR 58 Ca 0.25 -1.57 0.23 0.00 -1.18 0.00 0.00 61.69 59.42 2q2h s THR 58 Cb 0.03 -1.25 0.41 0.00 1.34 0.00 0.00 72.50 73.03 2q2h s THR 58 CO 0.08 -0.60 1.93 -0.65 -0.54 0.00 0.00 174.62 174.84 2q2h h PRO 59 N 3.65 0.17 -0.06 3.99 0.11 -1.95 -0.90 132.00 137.02 2q2h h PRO 59 Ca -0.36 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.54 2q2h h PRO 59 Cb 1.19 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2q2h h PRO 59 CO 0.53 0.11 -0.80 0.93 -0.21 0.00 0.00 178.00 178.56 2q2h h GLU 60 N 0.17 0.44 0.00 1.05 3.07 -1.96 -3.28 114.58 114.08 2q2h h GLU 60 Ca 0.36 -0.39 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2q2h h GLU 60 Cb 1.18 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 2q2h h GLU 60 CO -0.06 1.04 -0.72 0.66 -1.40 0.00 0.00 179.01 178.52 2q2h h SER 61 N 0.29 0.00 0.75 1.42 4.64 -1.85 -3.36 113.55 115.43 2q2h h SER 61 Ca -0.05 -0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.09 2q2h h SER 61 Cb 1.40 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.47 2q2h h SER 61 CO 0.14 0.00 -0.84 -0.07 -0.87 0.00 0.00 176.83 175.20 2q2h h LEU 62 N 0.00 0.08 -9.52 5.97 3.38 -1.23 -3.43 115.31 110.56 2q2h h LEU 62 Ca 0.00 -0.06 -0.53 0.00 0.09 0.00 0.00 57.88 57.38 2q2h h LEU 62 Cb 0.99 -0.02 0.04 0.00 0.09 0.00 0.00 40.66 41.76 2q2h h LEU 62 CO 0.00 0.88 1.09 -0.69 0.09 0.00 0.00 178.44 179.81 2q2h s VAL 63 N -3.16 2.54 0.00 1.22 1.01 -1.25 -1.18 120.40 119.58 2q2h s VAL 63 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2q2h s VAL 63 Cb 0.11 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.43 2q2h s VAL 63 CO 0.80 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.51 2q2h n GLY 64 N 4.19 1.08 3.73 4.51 0.00 0.34 -5.00 105.19 114.03 2q2h n GLY 64 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2q2h n GLY 64 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2q2h s ARG 65 N -0.93 4.61 -0.10 1.61 3.52 -0.32 -4.75 118.95 122.58 2q2h s ARG 65 Ca 0.00 1.65 -0.24 0.00 -0.13 0.00 0.00 55.73 57.01 2q2h s ARG 65 Cb 0.00 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 30.05 2q2h s ARG 65 CO 0.00 0.09 0.75 -0.65 -0.81 0.00 0.00 175.30 174.67 2q2h s GLN 66 N -0.15 4.38 0.32 5.12 -0.21 -1.26 -0.85 119.66 127.01 2q2h s GLN 66 Ca 0.49 0.92 0.10 0.00 0.02 0.00 0.00 55.36 56.90 2q2h s GLN 66 Cb -0.28 -3.50 -0.06 0.00 1.00 0.00 0.00 33.01 30.18 2q2h s GLN 66 CO 0.33 -0.08 -0.09 0.14 -2.12 0.00 0.00 175.29 173.47 2q2h s VAL 67 N 1.29 2.48 -0.12 1.09 -7.23 0.08 -4.60 120.40 113.38 2q2h s VAL 67 Ca 0.38 -2.19 -0.04 0.00 -1.81 0.00 0.00 61.98 58.33 2q2h s VAL 67 Cb -0.17 -2.60 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 2q2h s VAL 67 CO 0.16 -0.27 0.01 -0.76 -0.31 0.00 0.00 175.10 173.94 2q2h s LEU 68 N -3.61 3.58 0.00 1.32 1.43 -1.26 -1.49 118.68 118.65 2q2h s LEU 68 Ca 0.32 0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.48 2q2h s LEU 68 Cb -0.01 -1.85 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 2q2h s LEU 68 CO 0.17 0.29 0.05 -0.83 0.23 0.00 0.00 176.35 176.26 2q2h s GLY 69 N -0.37 0.11 -0.22 -3.19 0.00 -0.26 -0.97 107.32 102.42 2q2h s GLY 69 Ca 0.07 -0.25 -0.28 0.00 0.00 0.00 0.00 44.72 44.26 2q2h s GLY 69 CO 0.02 -0.33 1.01 0.14 0.00 0.00 0.00 173.10 173.93 2q2h s VAL 70 N -1.07 4.71 -1.33 1.40 1.01 -0.21 -1.07 120.40 123.84 2q2h s VAL 70 Ca -0.12 1.97 0.17 0.00 0.00 0.00 0.00 61.98 64.00 2q2h s VAL 70 Cb -0.07 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 31.96 2q2h s VAL 70 CO 0.00 -0.15 0.84 1.33 0.00 0.00 0.00 175.10 177.12 2q2h n VAL 71 N 5.24 0.00 -1.46 2.92 0.24 -0.37 -2.20 118.33 122.69 2q2h n VAL 71 Ca 0.11 -0.25 -0.02 0.00 -2.04 0.00 0.00 64.34 62.14 2q2h n VAL 71 Cb 0.46 1.14 0.20 0.00 -1.47 0.00 0.00 33.84 34.17 2q2h n VAL 71 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2q2h n ASN 72 N -0.53 2.35 -4.86 -1.34 6.94 -1.26 -4.94 115.26 111.63 2q2h n ASN 72 Ca 0.06 -3.77 -0.31 0.00 -0.02 0.00 0.00 54.58 50.53 2q2h n ASN 72 Cb 0.33 -0.61 -0.03 0.00 -2.36 0.00 0.00 39.78 37.11 2q2h n ASN 72 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 2q2h s PHE 73 N -3.23 3.47 0.72 -2.53 2.99 -1.26 -4.98 117.98 113.15 2q2h s PHE 73 Ca 0.43 1.27 -0.14 0.00 0.00 0.00 0.00 56.93 58.48 2q2h s PHE 73 Cb 0.40 -2.63 0.03 0.00 0.00 0.00 0.00 43.02 40.82 2q2h s PHE 73 CO -0.01 -0.27 1.15 -1.25 -0.00 0.00 0.00 175.22 174.84 2q2h s PRO 74 N -4.03 2.33 0.44 0.24 0.04 -1.26 -4.95 135.00 127.81 2q2h s PRO 74 Ca 0.55 1.55 -0.24 0.00 0.04 0.00 0.00 61.00 62.91 2q2h s PRO 74 Cb -0.10 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 2q2h s PRO 74 CO 0.33 -1.65 1.09 -2.30 0.04 0.00 0.00 177.00 174.51 2q2h n PRO 75 N -2.76 1.47 -4.32 0.56 -0.02 -1.26 -4.95 135.00 123.72 2q2h n PRO 75 Ca 0.12 0.53 -0.33 0.00 -2.02 0.00 0.00 63.50 61.80 2q2h n PRO 75 Cb 0.51 -2.17 -0.15 0.00 -0.02 0.00 0.00 33.50 31.67 2q2h n PRO 75 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2q2h s ARG 76 N -2.17 3.14 -0.37 -0.52 3.52 -0.13 -4.96 118.95 117.46 2q2h s ARG 76 Ca 0.64 -0.77 -0.26 0.00 -0.13 0.00 0.00 55.73 55.21 2q2h s ARG 76 Cb -0.52 -2.64 0.02 0.00 -1.56 0.00 0.00 34.95 30.24 2q2h s ARG 76 CO 0.56 -0.09 0.94 -1.14 -0.81 0.00 0.00 175.30 174.75 2q2h s GLN 77 N 1.07 3.83 -0.53 5.12 2.00 -1.26 -0.66 119.66 129.23 2q2h s GLN 77 Ca -0.01 0.57 -0.00 0.00 -2.00 0.00 0.00 55.36 53.92 2q2h s GLN 77 Cb -0.14 -3.81 0.14 0.00 0.80 0.00 0.00 33.01 29.99 2q2h s GLN 77 CO -0.05 -0.97 0.31 0.42 -0.50 0.00 0.00 175.29 174.50 2q2h s ILE 78 N 3.52 3.21 0.00 -2.34 1.01 0.93 -4.98 121.20 122.55 2q2h s ILE 78 Ca 0.39 -2.84 0.00 0.00 0.00 0.00 0.00 60.65 58.20 2q2h s ILE 78 Cb -0.12 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.19 2q2h s ILE 78 CO 0.19 -0.80 0.00 0.61 0.00 0.00 0.00 174.94 174.95 2q2h n GLY 79 N 3.66 3.33 0.04 6.18 0.00 -1.26 -1.51 105.19 115.63 2q2h n GLY 79 Ca 0.05 -0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.12 2q2h n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2q2h n PRO 80 N 14.00 0.64 -3.66 1.61 -0.04 -1.26 -4.82 135.00 141.47 2q2h n PRO 80 Ca 0.00 -0.09 -0.36 0.00 -0.04 0.00 0.00 63.50 63.01 2q2h n PRO 80 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 2q2h n PRO 80 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2q2h s PHE 81 N -2.42 3.35 -0.52 0.54 5.36 -0.57 -5.06 117.98 118.67 2q2h s PHE 81 Ca 0.33 0.29 -0.16 0.00 -0.96 0.00 0.00 56.93 56.43 2q2h s PHE 81 Cb 0.21 -2.25 0.11 0.00 -0.34 0.00 0.00 43.02 40.75 2q2h s PHE 81 CO 0.45 0.14 0.46 0.50 -1.46 0.00 0.00 175.22 175.30 2q2h s ARG 82 N 0.84 2.96 0.26 10.12 3.52 -1.26 -0.05 118.95 135.34 2q2h s ARG 82 Ca 0.08 -1.62 -0.29 0.00 -0.13 0.00 0.00 55.73 53.78 2q2h s ARG 82 Cb -0.13 -4.24 -0.09 0.00 -1.56 0.00 0.00 34.95 28.93 2q2h s ARG 82 CO 0.03 -1.24 0.96 0.45 -0.81 0.00 0.00 175.30 174.69 2q2h s SER 83 N 3.29 7.53 -0.02 -2.12 0.15 0.17 -4.88 113.70 117.83 2q2h s SER 83 Ca 0.03 1.97 0.13 0.00 0.70 0.00 0.00 55.95 58.79 2q2h s SER 83 Cb -0.28 -2.61 -0.20 0.00 -1.71 0.00 0.00 66.02 61.22 2q2h s SER 83 CO 0.04 0.07 0.31 -0.62 1.20 0.00 0.00 173.24 174.23 2q2h n GLU 84 N 1.26 0.59 -3.91 5.44 1.02 0.00 -0.96 120.64 124.09 2q2h n GLU 84 Ca -0.01 -0.11 -0.11 0.00 -0.02 0.00 0.00 57.16 56.91 2q2h n GLU 84 Cb 0.47 -1.29 -0.12 0.00 -0.02 0.00 0.00 31.44 30.48 2q2h n GLU 84 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2q2h s VAL 85 N -2.85 0.05 -0.29 2.62 1.01 -0.95 -4.71 120.40 115.27 2q2h s VAL 85 Ca -0.04 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 2q2h s VAL 85 Cb 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.28 2q2h s VAL 85 CO 0.54 -0.21 0.37 -0.22 0.00 0.00 0.00 175.10 175.58 2q2h s LEU 86 N -0.64 4.14 -0.09 3.92 0.20 -0.94 -4.52 118.68 120.75 2q2h s LEU 86 Ca -0.07 0.15 -0.23 0.00 0.69 0.00 0.00 54.13 54.67 2q2h s LEU 86 Cb -0.04 -2.41 -0.03 0.00 -0.43 0.00 0.00 46.19 43.27 2q2h s LEU 86 CO -0.00 -0.23 0.69 -0.89 -0.29 0.00 0.00 176.35 175.62 2q2h s THR 87 N 2.07 5.05 -0.03 3.68 2.01 -1.26 -1.04 115.64 126.12 2q2h s THR 87 Ca 0.14 1.40 -0.12 0.00 0.31 0.00 0.00 61.69 63.42 2q2h s THR 87 Cb -0.16 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 2q2h s THR 87 CO 0.11 0.23 0.33 -0.76 -0.69 0.00 0.00 174.62 173.84 2q2h s LEU 88 N 0.94 4.44 0.00 4.42 1.43 -0.14 -5.00 118.68 124.77 2q2h s LEU 88 Ca 0.36 0.82 -0.04 0.00 -1.03 0.00 0.00 54.13 54.24 2q2h s LEU 88 Cb -0.17 -2.48 0.01 0.00 0.03 0.00 0.00 46.19 43.59 2q2h s LEU 88 CO 0.17 0.34 0.20 0.61 0.23 0.00 0.00 176.35 177.89 2q2h n GLY 89 N 1.79 1.85 2.96 -3.19 0.00 -1.26 -1.73 105.19 105.61 2q2h n GLY 89 Ca -0.15 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 2q2h n GLY 89 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2q2h s PHE 90 N -6.91 0.12 0.02 1.61 0.40 0.43 -4.83 117.98 108.82 2q2h s PHE 90 Ca 0.05 -0.24 -0.30 0.00 -0.60 0.00 0.00 56.93 55.83 2q2h s PHE 90 Cb -0.01 -0.09 -0.04 0.00 0.51 0.00 0.00 43.02 43.39 2q2h s PHE 90 CO 0.03 -0.13 1.05 0.00 0.70 0.00 0.00 175.22 176.88 2q2h s ALA 91 N -0.84 3.23 0.99 5.36 0.00 -1.26 -0.42 121.76 128.82 2q2h s ALA 91 Ca -0.09 0.64 -0.06 0.00 0.00 0.00 0.00 51.96 52.45 2q2h s ALA 91 Cb -0.06 -3.37 0.08 0.00 0.00 0.00 0.00 23.12 19.77 2q2h s ALA 91 CO -0.00 -0.30 0.49 -0.40 0.00 0.00 0.00 175.76 175.55 2q2h n ASP 92 N 3.91 0.05 0.24 0.00 5.68 0.40 -4.83 116.55 122.00 2q2h n ASP 92 Ca 0.07 -1.19 0.18 0.00 -0.50 0.00 0.00 54.79 53.35 2q2h n ASP 92 Cb 0.49 -0.38 0.88 0.00 -1.14 0.00 0.00 41.12 40.98 2q2h n ASP 92 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2q2h h ALA 93 N -1.88 1.64 -0.03 2.12 0.00 -1.97 -0.84 119.26 118.30 2q2h h ALA 93 Ca -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2q2h h ALA 93 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2q2h h ALA 93 CO 0.11 -0.27 0.00 0.09 0.00 0.00 0.00 179.25 179.18 2q2h n ASN 94 N -3.58 2.81 0.00 0.00 3.02 -1.26 -4.96 115.26 111.29 2q2h n ASN 94 Ca 0.01 -1.90 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 2q2h n ASN 94 Cb 0.31 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 2q2h n ASN 94 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q2h n GLY 95 N 1.22 0.78 3.84 7.41 0.00 -0.32 -5.05 105.19 113.06 2q2h n GLY 95 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2q2h n GLY 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2q2h s ASP 96 N -2.83 6.85 -0.10 1.61 -0.00 -1.26 -4.66 116.67 116.28 2q2h s ASP 96 Ca 0.00 1.44 -0.23 0.00 -0.00 0.00 0.00 52.55 53.75 2q2h s ASP 96 Cb 0.00 -2.44 -0.03 0.00 -0.00 0.00 0.00 42.92 40.45 2q2h s ASP 96 CO 0.00 -0.25 0.70 -0.63 -0.00 0.00 0.00 175.17 174.99 2q2h s ILE 97 N -2.03 5.02 -0.15 0.77 -1.09 -1.26 -0.45 121.20 122.01 2q2h s ILE 97 Ca 0.56 1.42 -0.03 0.00 -2.23 0.00 0.00 60.65 60.38 2q2h s ILE 97 Cb -0.10 -4.03 -0.02 0.00 -1.58 0.00 0.00 42.46 36.72 2q2h s ILE 97 CO 0.16 0.20 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.32 2q2h s VAL 98 N 1.15 3.62 0.30 2.92 1.01 0.45 -4.70 120.40 125.14 2q2h s VAL 98 Ca 0.36 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 2q2h s VAL 98 Cb -0.17 -2.57 -0.10 0.00 0.00 0.00 0.00 36.38 33.54 2q2h s VAL 98 CO 0.16 0.50 1.14 -0.76 0.00 0.00 0.00 175.10 176.14 2q2h s LEU 99 N 0.40 4.49 0.63 3.92 1.43 -1.26 -0.43 118.68 127.86 2q2h s LEU 99 Ca -0.06 2.34 -0.19 0.00 -1.03 0.00 0.00 54.13 55.20 2q2h s LEU 99 Cb -0.15 -3.68 -0.02 0.00 0.03 0.00 0.00 46.19 42.37 2q2h s LEU 99 CO 0.04 -0.27 1.29 0.00 0.23 0.00 0.00 176.35 177.64 2q2h s ALA 100 N -1.20 2.45 0.31 4.21 0.00 -0.71 -4.87 121.76 121.96 2q2h s ALA 100 Ca 0.47 1.20 -0.02 0.00 0.00 0.00 0.00 51.96 53.61 2q2h s ALA 100 Cb -0.33 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.26 2q2h s ALA 100 CO 0.42 -1.51 0.43 0.00 0.00 0.00 0.00 175.76 175.11 2q2h n ALA 101 N -1.76 -0.31 -2.38 0.00 0.00 -1.26 -4.17 120.51 110.62 2q2h n ALA 101 Ca 0.15 -1.43 -0.30 0.00 0.00 0.00 0.00 53.44 51.86 2q2h n ALA 101 Cb 0.48 1.15 -0.14 0.00 0.00 0.00 0.00 19.45 20.94 2q2h n ALA 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2q2h s VAL 102 N -2.76 2.33 0.44 0.00 -7.23 -1.26 -4.97 120.40 106.95 2q2h s VAL 102 Ca 0.25 -1.45 0.12 0.00 -1.81 0.00 0.00 61.98 59.09 2q2h s VAL 102 Cb -0.01 -1.96 0.21 0.00 0.56 0.00 0.00 36.38 35.18 2q2h s VAL 102 CO 0.18 0.28 2.02 -0.08 -0.31 0.00 0.00 175.10 177.19 2q2h h GLU 103 N 4.46 0.15 -3.66 4.82 4.22 -2.02 -3.43 114.58 119.13 2q2h h GLU 103 Ca -0.48 -0.02 -0.08 0.00 0.08 0.00 0.00 59.36 58.86 2q2h h GLU 103 Cb 1.15 -0.03 -0.14 0.00 0.50 0.00 0.00 28.75 30.24 2q2h h GLU 103 CO 0.43 0.22 -0.27 -0.98 -2.18 0.00 0.00 179.01 176.23 2q2h s ARG 104 N -4.89 0.91 0.48 1.92 1.70 -1.26 -5.15 118.95 112.66 2q2h s ARG 104 Ca -0.05 -0.86 -0.24 0.00 -0.47 0.00 0.00 55.73 54.11 2q2h s ARG 104 Cb 0.16 0.38 -0.07 0.00 -0.57 0.00 0.00 34.95 34.85 2q2h s ARG 104 CO 0.71 -0.31 1.40 -2.14 -1.08 0.00 0.00 175.30 173.88 2q2h s PRO 105 N -3.78 3.50 0.27 3.89 0.02 -1.26 -5.04 135.00 132.60 2q2h s PRO 105 Ca 0.04 2.36 0.03 0.00 0.02 0.00 0.00 61.00 63.45 2q2h s PRO 105 Cb 0.04 -2.52 -0.06 0.00 0.02 0.00 0.00 34.50 31.98 2q2h s PRO 105 CO -0.11 -0.94 0.04 0.14 -0.33 0.00 0.00 177.00 175.80 2q2h s VAL 106 N -1.24 0.97 0.29 3.83 -7.23 -1.26 -5.12 120.40 110.65 2q2h s VAL 106 Ca 0.65 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 58.50 2q2h s VAL 106 Cb -0.43 -2.57 -0.12 0.00 0.56 0.00 0.00 36.38 33.82 2q2h s VAL 106 CO 0.53 -0.14 1.47 -2.65 -0.31 0.00 0.00 175.10 174.00 2q2h n PRO 107 N -0.52 2.38 -1.81 4.82 -0.02 -1.26 -4.92 135.00 133.68 2q2h n PRO 107 Ca -0.03 0.84 -0.41 0.00 -2.02 0.00 0.00 63.50 61.88 2q2h n PRO 107 Cb 0.65 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 2q2h n PRO 107 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2q2h s ASN 108 N 0.21 6.41 0.00 2.55 0.01 -1.26 -2.80 114.94 120.06 2q2h s ASN 108 Ca 0.62 2.91 0.00 0.00 -0.71 0.00 0.00 52.86 55.68 2q2h s ASN 108 Cb -0.56 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 38.47 2q2h s ASN 108 CO 0.53 -0.89 0.00 0.61 -1.51 0.00 0.00 177.10 175.84 2q2h n GLY 109 N 2.30 0.52 3.77 0.66 0.00 0.22 -4.28 105.19 108.37 2q2h n GLY 109 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2q2h n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2q2h s GLU 110 N -0.90 4.13 0.09 1.61 0.41 -1.12 -4.78 118.70 118.15 2q2h s GLU 110 Ca 0.00 2.02 -0.18 0.00 -0.41 0.00 0.00 54.97 56.40 2q2h s GLU 110 Cb 0.00 -2.83 -0.07 0.00 -1.78 0.00 0.00 34.13 29.46 2q2h s GLU 110 CO 0.00 -0.31 0.57 0.21 -0.49 0.00 0.00 175.26 175.24 2q2h s LYS 111 N -2.10 4.14 0.13 1.61 2.20 -1.26 -1.84 119.74 122.62 2q2h s LYS 111 Ca 0.54 0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 56.53 2q2h s LYS 111 Cb -0.35 -3.15 -0.07 0.00 -1.51 0.00 0.00 37.83 32.75 2q2h s LYS 111 CO 0.45 0.59 1.15 1.41 -0.36 0.00 0.00 175.35 178.59 2q2h s MET 112 N -1.35 4.52 0.00 4.03 -2.45 -0.15 -4.99 119.30 118.91 2q2h s MET 112 Ca 0.31 1.75 0.00 0.00 -1.25 0.00 0.00 55.69 56.51 2q2h s MET 112 Cb -0.18 -3.30 0.00 0.00 1.25 0.00 0.00 34.83 32.60 2q2h s MET 112 CO 0.19 -0.07 0.00 0.00 1.05 0.00 0.00 175.02 176.19