#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vn1 s GLU 8 N 0.00 0.34 -0.21 -4.13 2.12 -1.26 -5.06 118.70 110.50 2vn1 s GLU 8 Ca 0.00 0.62 -0.09 0.00 0.36 0.00 0.00 54.97 55.87 2vn1 s GLU 8 Cb 0.00 0.35 -0.04 0.00 0.26 0.00 0.00 34.13 34.70 2vn1 s GLU 8 CO 0.00 -0.35 0.11 0.21 -0.54 0.00 0.00 175.26 174.69 2vn1 s LYS 9 N 2.89 4.02 -0.10 4.30 2.20 -1.26 -0.84 119.74 130.95 2vn1 s LYS 9 Ca 0.07 -0.31 0.03 0.00 -0.36 0.00 0.00 55.97 55.40 2vn1 s LYS 9 Cb -0.12 -3.36 0.01 0.00 -1.51 0.00 0.00 37.83 32.85 2vn1 s LYS 9 CO -0.15 0.18 -0.18 0.08 -0.36 0.00 0.00 175.35 174.91 2vn1 s VAL 10 N 0.67 1.68 -0.42 4.02 1.01 0.31 -4.98 120.40 122.70 2vn1 s VAL 10 Ca 0.06 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 61.05 2vn1 s VAL 10 Cb -0.13 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.78 2vn1 s VAL 10 CO 0.01 0.48 0.63 -0.70 0.00 0.00 0.00 175.10 175.52 2vn1 s GLU 11 N 0.66 3.35 0.01 2.72 2.12 -1.26 0.63 118.70 126.93 2vn1 s GLU 11 Ca -0.13 -0.31 0.26 0.00 0.36 0.00 0.00 54.97 55.15 2vn1 s GLU 11 Cb -0.16 -3.93 0.72 0.00 0.26 0.00 0.00 34.13 31.02 2vn1 s GLU 11 CO 0.03 -0.96 1.57 1.28 -0.54 0.00 0.00 175.26 176.65 2vn1 n LEU 12 N 6.21 0.37 -3.94 2.70 4.77 -0.01 -4.83 117.00 122.27 2vn1 n LEU 12 Ca -0.02 0.18 -0.17 0.00 -0.03 0.00 0.00 56.01 55.97 2vn1 n LEU 12 Cb 0.48 -0.32 -0.15 0.00 -2.33 0.00 0.00 43.42 41.10 2vn1 n LEU 12 CO 0.53 0.07 -0.40 0.42 -1.33 0.00 0.00 177.39 176.67 2vn1 s THR 13 N -3.01 0.43 0.39 -5.08 -4.23 -1.23 -4.99 115.64 97.91 2vn1 s THR 13 Ca 0.12 -0.19 0.17 0.00 -1.18 0.00 0.00 61.69 60.61 2vn1 s THR 13 Cb 0.18 -0.39 0.38 0.00 1.34 0.00 0.00 72.50 74.01 2vn1 s THR 13 CO 0.65 0.14 1.76 0.00 -0.54 0.00 0.00 174.62 176.63 2vn1 h ALA 14 N 6.30 2.18 -0.00 3.99 0.00 -1.95 0.28 119.26 130.06 2vn1 h ALA 14 Ca -0.31 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2vn1 h ALA 14 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2vn1 h ALA 14 CO 0.50 -0.60 -0.02 -0.40 0.00 0.00 0.00 179.25 178.72 2vn1 n ASP 15 N -4.67 0.14 -0.62 0.00 5.75 -1.26 -4.91 116.55 110.98 2vn1 n ASP 15 Ca 0.26 -0.51 -0.07 0.00 -0.01 0.00 0.00 54.79 54.46 2vn1 n ASP 15 Cb 0.88 -0.15 -0.02 0.00 -1.03 0.00 0.00 41.12 40.79 2vn1 n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2vn1 n GLY 16 N 1.20 0.61 0.08 6.12 0.00 0.97 -4.91 105.19 109.27 2vn1 n GLY 16 Ca 0.17 -0.69 0.13 0.00 0.00 0.00 0.00 46.02 45.63 2vn1 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vn1 n GLY 17 N -1.74 -1.59 2.63 -0.02 0.00 -1.26 -4.56 105.19 98.65 2vn1 n GLY 17 Ca -0.07 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 2vn1 n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vn1 s VAL 18 N -3.10 0.02 -0.15 1.61 1.01 -1.25 -0.89 120.40 117.63 2vn1 s VAL 18 Ca 0.10 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.82 2vn1 s VAL 18 Cb 0.13 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.84 2vn1 s VAL 18 CO 0.54 -0.31 -0.19 -0.63 0.00 0.00 0.00 175.10 174.52 2vn1 s ILE 19 N 2.09 1.89 -0.20 2.22 1.01 -0.82 -0.82 121.20 126.56 2vn1 s ILE 19 Ca 0.02 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 2vn1 s ILE 19 Cb -0.16 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.59 2vn1 s ILE 19 CO -0.11 0.51 -0.02 -0.75 0.00 0.00 0.00 174.94 174.58 2vn1 s LYS 20 N 1.13 3.54 -0.27 2.79 2.20 0.21 -0.81 119.74 128.53 2vn1 s LYS 20 Ca -0.01 -0.56 -0.08 0.00 -0.36 0.00 0.00 55.97 54.97 2vn1 s LYS 20 Cb -0.14 -3.04 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 2vn1 s LYS 20 CO -0.07 -0.04 0.10 0.99 -0.36 0.00 0.00 175.35 175.96 2vn1 s THR 21 N 1.12 4.46 -0.10 3.43 2.01 0.12 0.12 115.64 126.79 2vn1 s THR 21 Ca 0.02 -0.21 -0.29 0.00 0.31 0.00 0.00 61.69 61.52 2vn1 s THR 21 Cb -0.14 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 2vn1 s THR 21 CO 0.01 0.26 1.00 -0.63 -0.69 0.00 0.00 174.62 174.57 2vn1 s ILE 22 N 1.62 4.79 -0.14 1.82 1.01 -0.02 -0.49 121.20 129.80 2vn1 s ILE 22 Ca 0.06 2.03 0.18 0.00 0.00 0.00 0.00 60.65 62.92 2vn1 s ILE 22 Cb -0.16 -4.31 -0.25 0.00 0.01 0.00 0.00 42.46 37.76 2vn1 s ILE 22 CO 0.05 0.01 0.29 0.18 0.00 0.00 0.00 174.94 175.48 2vn1 n LEU 23 N 4.96 0.19 -3.57 2.97 4.77 0.37 -4.37 117.00 122.31 2vn1 n LEU 23 Ca 0.08 0.09 -0.06 0.00 -0.03 0.00 0.00 56.01 56.09 2vn1 n LEU 23 Cb 0.49 0.33 -0.07 0.00 -2.33 0.00 0.00 43.42 41.83 2vn1 n LEU 23 CO 0.52 0.35 0.07 -0.75 -1.33 0.00 0.00 177.39 176.26 2vn1 s LYS 24 N -2.74 0.40 0.52 3.23 2.20 -0.78 -4.94 119.74 117.63 2vn1 s LYS 24 Ca -0.08 1.05 -0.22 0.00 -0.36 0.00 0.00 55.97 56.36 2vn1 s LYS 24 Cb 0.08 0.35 -0.06 0.00 -1.51 0.00 0.00 37.83 36.69 2vn1 s LYS 24 CO 0.84 -0.33 1.26 0.15 -0.36 0.00 0.00 175.35 176.92 2vn1 s LYS 25 N 2.68 3.37 0.00 4.03 -0.14 -1.26 -1.13 119.74 127.29 2vn1 s LYS 25 Ca 0.01 2.00 0.00 0.00 -1.36 0.00 0.00 55.97 56.63 2vn1 s LYS 25 Cb -0.13 -2.28 0.00 0.00 -1.68 0.00 0.00 37.83 33.74 2vn1 s LYS 25 CO -0.15 -0.93 0.00 0.41 -0.76 0.00 0.00 175.35 173.91 2vn1 n GLY 26 N 0.59 1.02 3.73 -3.33 0.00 -1.26 -4.63 105.19 101.31 2vn1 n GLY 26 Ca 0.09 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 2vn1 n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2vn1 s ASP 27 N -1.00 7.17 0.32 1.61 1.11 -0.21 -4.94 116.67 120.74 2vn1 s ASP 27 Ca 0.00 2.11 -0.28 0.00 0.18 0.00 0.00 52.55 54.56 2vn1 s ASP 27 Cb 0.00 -2.60 -0.09 0.00 1.07 0.00 0.00 42.92 41.30 2vn1 s ASP 27 CO 0.00 -0.32 1.14 -1.61 1.18 0.00 0.00 175.17 175.56 2vn1 s GLU 28 N -0.02 4.44 0.00 8.23 2.02 -1.26 -4.56 118.70 127.54 2vn1 s GLU 28 Ca 0.52 1.84 0.00 0.00 0.02 0.00 0.00 54.97 57.35 2vn1 s GLU 28 Cb -0.30 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 30.93 2vn1 s GLU 28 CO 0.34 0.02 0.00 0.41 0.02 0.00 0.00 175.26 176.05 2vn1 n GLY 29 N 0.93 4.29 0.26 -1.39 0.00 -1.26 -4.79 105.19 103.23 2vn1 n GLY 29 Ca 0.01 -1.17 0.13 0.00 0.00 0.00 0.00 46.02 44.99 2vn1 n GLY 29 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2vn1 h GLU 30 N 0.00 0.00 0.00 1.61 4.81 -1.96 -0.07 114.58 118.97 2vn1 h GLU 30 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2vn1 h GLU 30 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2vn1 h GLU 30 CO 0.00 0.13 0.00 -1.91 -0.73 0.00 0.00 179.01 176.50 2vn1 n GLU 31 N -3.53 0.02 -0.68 1.92 2.13 -1.26 -2.16 120.64 117.07 2vn1 n GLU 31 Ca -0.01 0.18 0.09 0.00 0.66 0.00 0.00 57.16 58.08 2vn1 n GLU 31 Cb 0.28 -1.53 0.36 0.00 0.27 0.00 0.00 31.44 30.82 2vn1 n GLU 31 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2vn1 n ASN 32 N -1.56 4.97 -4.19 4.31 3.02 -0.04 -4.88 115.26 116.89 2vn1 n ASN 32 Ca 0.05 -2.63 -0.33 0.00 -0.03 0.00 0.00 54.58 51.63 2vn1 n ASN 32 Cb 0.23 -0.60 -0.16 0.00 -0.61 0.00 0.00 39.78 38.64 2vn1 n ASN 32 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2vn1 s ILE 33 N -2.19 2.24 0.41 2.41 1.01 -0.92 -0.83 121.20 123.33 2vn1 s ILE 33 Ca 0.51 -0.91 -0.26 0.00 0.00 0.00 0.00 60.65 59.99 2vn1 s ILE 33 Cb 0.35 -1.92 -0.08 0.00 0.01 0.00 0.00 42.46 40.82 2vn1 s ILE 33 CO 0.21 0.54 1.28 -2.16 0.00 0.00 0.00 174.94 174.80 2vn1 s PRO 34 N 0.90 3.95 0.19 2.79 0.04 -1.26 -5.04 135.00 136.57 2vn1 s PRO 34 Ca -0.04 2.10 0.10 0.00 0.04 0.00 0.00 61.00 63.19 2vn1 s PRO 34 Cb -0.15 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 2vn1 s PRO 34 CO -0.03 -0.49 -0.13 0.15 0.04 0.00 0.00 177.00 176.53 2vn1 s LYS 35 N -2.28 1.91 0.19 4.56 -0.14 -1.26 -4.89 119.74 117.84 2vn1 s LYS 35 Ca 0.57 -1.35 -0.31 0.00 -1.36 0.00 0.00 55.97 53.52 2vn1 s LYS 35 Cb -0.37 -2.06 -0.16 0.00 -1.68 0.00 0.00 37.83 33.56 2vn1 s LYS 35 CO 0.47 0.42 0.89 1.17 -0.76 0.00 0.00 175.35 177.54 2vn1 n LYS 36 N 0.06 0.69 0.00 1.68 4.81 -1.26 -1.13 118.16 123.01 2vn1 n LYS 36 Ca -0.11 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 2vn1 n LYS 36 Cb 0.56 -1.54 0.00 0.00 0.02 0.00 0.00 35.03 34.07 2vn1 n LYS 36 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vn1 n GLY 37 N 1.75 3.07 3.76 3.14 0.00 0.06 -4.96 105.19 112.00 2vn1 n GLY 37 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2vn1 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2vn1 s ASN 38 N -1.21 5.66 -0.14 1.61 0.02 -0.28 -4.58 114.94 116.01 2vn1 s ASN 38 Ca 0.00 2.45 -0.25 0.00 -1.02 0.00 0.00 52.86 54.04 2vn1 s ASN 38 Cb 0.00 -2.61 -0.02 0.00 0.02 0.00 0.00 41.25 38.64 2vn1 s ASN 38 CO 0.00 -1.28 0.82 -0.70 0.02 0.00 0.00 177.10 175.96 2vn1 s GLU 39 N -2.94 4.34 0.01 -0.60 2.12 -0.61 -1.32 118.70 119.69 2vn1 s GLU 39 Ca 0.70 1.01 0.04 0.00 0.36 0.00 0.00 54.97 57.08 2vn1 s GLU 39 Cb -0.32 -3.55 -0.03 0.00 0.26 0.00 0.00 34.13 30.49 2vn1 s GLU 39 CO 0.37 -0.24 -0.11 0.08 -0.54 0.00 0.00 175.26 174.82 2vn1 s VAL 40 N 1.84 3.34 -0.15 3.70 1.01 0.16 -1.30 120.40 129.01 2vn1 s VAL 40 Ca 0.39 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.50 2vn1 s VAL 40 Cb -0.17 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.80 2vn1 s VAL 40 CO 0.14 0.40 -0.20 -0.89 0.00 0.00 0.00 175.10 174.55 2vn1 s THR 41 N -0.95 1.99 0.27 3.92 2.01 0.21 -1.59 115.64 121.50 2vn1 s THR 41 Ca 0.16 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.27 2vn1 s THR 41 Cb -0.11 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 2vn1 s THR 41 CO 0.06 0.53 0.22 0.68 -0.69 0.00 0.00 174.62 175.42 2vn1 s VAL 42 N 1.03 0.00 0.10 3.82 -7.23 -0.05 -1.22 120.40 116.86 2vn1 s VAL 42 Ca -0.02 -1.98 0.09 0.00 -1.81 0.00 0.00 61.98 58.25 2vn1 s VAL 42 Cb -0.14 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 2vn1 s VAL 42 CO -0.06 0.00 -0.22 -1.00 -0.31 0.00 0.00 175.10 173.51 2vn1 s HIS 43 N -3.76 1.88 0.16 2.82 3.76 -0.90 -0.15 115.29 119.10 2vn1 s HIS 43 Ca 0.40 -0.41 -0.15 0.00 -0.15 0.00 0.00 55.06 54.74 2vn1 s HIS 43 Cb 0.04 -1.03 0.03 0.00 1.11 0.00 0.00 32.58 32.73 2vn1 s HIS 43 CO 0.20 0.22 0.42 1.52 -0.85 0.00 0.00 174.74 176.26 2vn1 s TYR 44 N -1.12 -0.08 -0.04 1.40 -0.85 -1.26 -1.67 117.35 113.73 2vn1 s TYR 44 Ca 0.08 -0.26 -0.01 0.00 -0.52 0.00 0.00 57.07 56.36 2vn1 s TYR 44 Cb -0.10 0.26 0.03 0.00 0.38 0.00 0.00 41.96 42.53 2vn1 s TYR 44 CO 0.04 -0.78 0.02 0.08 -1.52 0.00 0.00 175.55 173.40 2vn1 s VAL 45 N -3.85 0.11 -0.02 -3.49 1.01 -0.74 -1.77 120.40 111.65 2vn1 s VAL 45 Ca 0.07 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.33 2vn1 s VAL 45 Cb 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 2vn1 s VAL 45 CO -0.07 0.17 -0.21 -0.83 0.00 0.00 0.00 175.10 174.16 2vn1 s GLY 46 N 1.55 1.40 0.07 4.51 0.00 0.35 -1.20 107.32 114.00 2vn1 s GLY 46 Ca -0.02 -1.10 -0.04 0.00 0.00 0.00 0.00 44.72 43.56 2vn1 s GLY 46 CO -0.03 -0.91 0.06 -1.59 0.00 0.00 0.00 173.10 170.63 2vn1 s LYS 47 N -0.79 0.74 -0.14 2.90 -2.85 0.03 -0.55 119.74 119.07 2vn1 s LYS 47 Ca 0.11 -1.14 -0.18 0.00 -1.00 0.00 0.00 55.97 53.76 2vn1 s LYS 47 Cb -0.10 0.26 -0.04 0.00 -2.06 0.00 0.00 37.83 35.89 2vn1 s LYS 47 CO 0.00 -0.19 0.48 -0.51 0.10 0.00 0.00 175.35 175.24 2vn1 s LEU 48 N -2.91 4.24 0.32 2.77 1.43 -0.99 -1.33 118.68 122.22 2vn1 s LEU 48 Ca 0.08 0.76 0.02 0.00 -1.03 0.00 0.00 54.13 53.96 2vn1 s LEU 48 Cb 0.07 -2.68 0.55 0.00 0.03 0.00 0.00 46.19 44.16 2vn1 s LEU 48 CO -0.09 -0.04 1.91 -0.08 0.23 0.00 0.00 176.35 178.28 2vn1 h GLU 49 N 6.92 0.74 -0.48 1.70 4.81 -1.76 0.83 114.58 127.34 2vn1 h GLU 49 Ca -0.39 -0.11 0.05 0.00 -0.13 0.00 0.00 59.36 58.78 2vn1 h GLU 49 Cb 1.17 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.38 2vn1 h GLU 49 CO 0.75 0.61 0.23 0.66 -0.73 0.00 0.00 179.01 180.53 2vn1 h SER 50 N 0.73 0.32 0.00 1.04 4.64 -1.94 -3.16 113.55 115.18 2vn1 h SER 50 Ca 0.18 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2vn1 h SER 50 Cb 0.16 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2vn1 h SER 50 CO -0.02 0.22 -1.44 0.35 -0.87 0.00 0.00 176.83 175.08 2vn1 n THR 51 N -4.91 0.00 -0.84 2.95 -2.24 -1.14 -4.97 114.28 103.12 2vn1 n THR 51 Ca 0.04 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2vn1 n THR 51 Cb 0.14 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2vn1 n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vn1 n GLY 52 N 1.43 0.67 3.78 3.38 0.00 0.29 -4.99 105.19 109.74 2vn1 n GLY 52 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2vn1 n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2vn1 s LYS 53 N -0.33 4.28 0.03 1.61 2.20 -1.24 -4.77 119.74 121.52 2vn1 s LYS 53 Ca 0.00 0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 56.03 2vn1 s LYS 53 Cb 0.00 -3.31 -0.06 0.00 -1.51 0.00 0.00 37.83 32.95 2vn1 s LYS 53 CO 0.00 0.45 1.39 0.08 -0.36 0.00 0.00 175.35 176.91 2vn1 s VAL 54 N -0.46 3.63 -0.42 4.02 1.01 -1.26 -2.34 120.40 124.57 2vn1 s VAL 54 Ca 0.30 1.07 0.17 0.00 0.00 0.00 0.00 61.98 63.52 2vn1 s VAL 54 Cb -0.18 -3.69 -0.22 0.00 0.00 0.00 0.00 36.38 32.28 2vn1 s VAL 54 CO 0.17 0.02 0.55 2.22 0.00 0.00 0.00 175.10 178.07 2vn1 n PHE 55 N 4.96 0.00 -3.54 5.22 1.16 0.29 -4.94 117.46 120.60 2vn1 n PHE 55 Ca 0.13 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.63 2vn1 n PHE 55 Cb 0.43 -0.19 -0.02 0.00 -1.61 0.00 0.00 39.48 38.09 2vn1 n PHE 55 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2vn1 s ASP 56 N -3.24 -0.29 -0.24 5.98 2.15 -1.17 -5.03 116.67 114.83 2vn1 s ASP 56 Ca 0.00 0.04 -0.27 0.00 0.43 0.00 0.00 52.55 52.75 2vn1 s ASP 56 Cb 0.12 0.30 0.12 0.00 -0.30 0.00 0.00 42.92 43.16 2vn1 s ASP 56 CO 0.70 -0.46 1.01 -0.55 -0.17 0.00 0.00 175.17 175.69 2vn1 s SER 57 N -2.24 -0.43 0.53 -0.34 0.15 -1.26 -0.50 113.70 109.61 2vn1 s SER 57 Ca 0.06 0.72 0.35 0.00 0.70 0.00 0.00 55.95 57.77 2vn1 s SER 57 Cb -0.01 0.69 1.63 0.00 -1.71 0.00 0.00 66.02 66.62 2vn1 s SER 57 CO -0.07 -0.23 2.04 0.77 1.20 0.00 0.00 173.24 176.96 2vn1 h SER 58 N 3.64 0.00 0.95 5.45 4.64 -1.65 -1.94 113.55 124.63 2vn1 h SER 58 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2vn1 h SER 58 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2vn1 h SER 58 CO 0.18 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.63 2vn1 n PHE 59 N -2.89 0.47 0.08 4.77 0.99 -1.26 -0.27 117.46 119.35 2vn1 n PHE 59 Ca -0.00 0.16 -0.04 0.00 -0.00 0.00 0.00 57.45 57.56 2vn1 n PHE 59 Cb 0.20 -0.76 0.16 0.00 -1.00 0.00 0.00 39.48 38.08 2vn1 n PHE 59 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 2vn1 h ASP 60 N 0.00 0.28 0.00 4.37 3.45 -1.73 -3.19 116.42 119.61 2vn1 h ASP 60 Ca 0.00 -0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.32 2vn1 h ASP 60 Cb 0.47 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.17 2vn1 h ASP 60 CO 0.00 0.75 -1.49 0.54 -1.57 0.00 0.00 179.24 177.47 2vn1 n ARG 61 N -3.94 0.82 -3.46 3.56 1.74 -1.14 -5.00 116.66 109.23 2vn1 n ARG 61 Ca -0.02 -0.11 -0.19 0.00 -0.77 0.00 0.00 57.85 56.76 2vn1 n ARG 61 Cb 0.56 -1.35 0.09 0.00 -1.02 0.00 0.00 32.46 30.74 2vn1 n ARG 61 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2vn1 n ASN 62 N -1.89 -3.37 -3.77 0.55 5.15 0.63 -5.00 115.26 107.56 2vn1 n ASN 62 Ca -0.02 -0.59 -0.28 0.00 -0.60 0.00 0.00 54.58 53.10 2vn1 n ASN 62 Cb 0.38 -5.03 -0.16 0.00 -0.53 0.00 0.00 39.78 34.43 2vn1 n ASN 62 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2vn1 s VAL 63 N -3.34 0.72 0.51 3.44 1.01 -0.94 -5.02 120.40 116.79 2vn1 s VAL 63 Ca 0.18 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 2vn1 s VAL 63 Cb -0.08 -1.20 -0.07 0.00 0.00 0.00 0.00 36.38 35.03 2vn1 s VAL 63 CO 0.72 -0.21 1.14 -0.81 0.00 0.00 0.00 175.10 175.94 2vn1 n PRO 64 N 4.97 1.41 -3.27 2.72 -0.04 -1.26 -4.79 135.00 134.74 2vn1 n PRO 64 Ca -0.09 0.52 -0.38 0.00 -0.04 0.00 0.00 63.50 63.50 2vn1 n PRO 64 Cb 0.46 -2.29 -0.06 0.00 -0.04 0.00 0.00 33.50 31.57 2vn1 n PRO 64 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2vn1 s PHE 65 N -1.34 3.50 -0.05 0.54 5.36 0.79 -4.87 117.98 121.92 2vn1 s PHE 65 Ca 0.69 0.93 0.06 0.00 -0.96 0.00 0.00 56.93 57.65 2vn1 s PHE 65 Cb -0.46 -2.60 -0.02 0.00 -0.34 0.00 0.00 43.02 39.59 2vn1 s PHE 65 CO 0.52 0.12 -0.22 0.15 -1.46 0.00 0.00 175.22 174.33 2vn1 s LYS 66 N 0.78 2.46 0.23 10.12 1.02 -1.26 -0.87 119.74 132.22 2vn1 s LYS 66 Ca 0.27 -0.84 -0.15 0.00 0.02 0.00 0.00 55.97 55.27 2vn1 s LYS 66 Cb -0.15 -2.21 0.01 0.00 -0.52 0.00 0.00 37.83 34.95 2vn1 s LYS 66 CO 0.11 0.49 0.52 -0.59 -0.92 0.00 0.00 175.35 174.96 2vn1 s PHE 67 N -0.41 0.12 -0.22 3.18 -0.12 -0.62 -4.96 117.98 114.96 2vn1 s PHE 67 Ca 0.04 -0.50 -0.09 0.00 -0.05 0.00 0.00 56.93 56.33 2vn1 s PHE 67 Cb -0.12 0.32 -0.05 0.00 -0.63 0.00 0.00 43.02 42.55 2vn1 s PHE 67 CO 0.02 -0.99 0.12 -1.01 -0.05 0.00 0.00 175.22 173.31 2vn1 s HIS 68 N -3.95 3.30 0.19 3.49 3.76 -1.26 0.40 115.29 121.21 2vn1 s HIS 68 Ca 0.16 0.17 -0.31 0.00 -0.15 0.00 0.00 55.06 54.92 2vn1 s HIS 68 Cb -0.01 -2.20 -0.10 0.00 1.11 0.00 0.00 32.58 31.37 2vn1 s HIS 68 CO 0.04 0.10 1.59 -1.17 -0.85 0.00 0.00 174.74 174.46 2vn1 s LEU 69 N 0.78 4.37 -1.22 0.89 2.96 -0.43 -3.73 118.68 122.30 2vn1 s LEU 69 Ca 0.06 2.69 -0.11 0.00 -0.22 0.00 0.00 54.13 56.55 2vn1 s LEU 69 Cb -0.13 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 2vn1 s LEU 69 CO 0.02 -0.85 0.71 -0.62 -1.32 0.00 0.00 176.35 174.29 2vn1 n GLU 70 N 3.76 -2.51 0.00 1.98 1.02 -1.26 -0.76 120.64 122.86 2vn1 n GLU 70 Ca 0.13 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 2vn1 n GLU 70 Cb 0.38 -4.58 0.00 0.00 -0.02 0.00 0.00 31.44 27.22 2vn1 n GLU 70 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2vn1 n GLN 71 N -4.16 1.45 -1.10 3.49 1.13 -1.24 -4.69 117.38 112.25 2vn1 n GLN 71 Ca -0.18 -0.98 -0.04 0.00 -1.94 0.00 0.00 57.00 53.87 2vn1 n GLN 71 Cb 0.63 -0.78 -0.02 0.00 0.11 0.00 0.00 30.24 30.18 2vn1 n GLN 71 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2vn1 n GLY 72 N -0.25 0.66 0.13 1.08 0.00 -1.26 -4.92 105.19 100.63 2vn1 n GLY 72 Ca 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.29 2vn1 n GLY 72 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2vn1 h GLU 73 N 0.12 0.00 -5.25 1.61 4.81 -1.94 -3.47 114.58 110.47 2vn1 h GLU 73 Ca -0.07 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.77 2vn1 h GLU 73 Cb 0.26 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.50 2vn1 h GLU 73 CO 0.11 0.45 -0.70 0.14 -0.73 0.00 0.00 179.01 178.28 2vn1 s VAL 74 N -2.97 1.33 0.41 0.32 -7.23 -1.26 -5.07 120.40 105.93 2vn1 s VAL 74 Ca 0.03 -2.10 -0.24 0.00 -1.81 0.00 0.00 61.98 57.86 2vn1 s VAL 74 Cb 0.08 -2.11 -0.11 0.00 0.56 0.00 0.00 36.38 34.80 2vn1 s VAL 74 CO 0.75 -0.54 0.99 2.30 -0.31 0.00 0.00 175.10 178.30 2vn1 n ILE 75 N -0.35 2.39 -0.28 -0.62 -5.35 -1.26 -4.74 119.36 109.14 2vn1 n ILE 75 Ca -0.08 -0.50 0.10 0.00 -0.27 0.00 0.00 62.75 62.00 2vn1 n ILE 75 Cb 0.62 -1.12 0.25 0.00 -1.74 0.00 0.00 39.64 37.65 2vn1 n ILE 75 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2vn1 h LYS 76 N 1.54 0.29 -0.89 6.28 3.64 -1.82 -0.36 116.57 125.25 2vn1 h LYS 76 Ca -0.44 -0.02 0.17 0.00 -1.27 0.00 0.00 60.65 59.10 2vn1 h LYS 76 Cb 1.34 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 33.03 2vn1 h LYS 76 CO 0.57 0.19 0.58 0.78 -2.27 0.00 0.00 179.45 179.30 2vn1 h GLY 77 N 0.30 1.03 0.79 5.01 0.00 -1.22 -1.69 103.07 107.28 2vn1 h GLY 77 Ca 0.50 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.53 2vn1 h GLY 77 CO -0.56 0.03 -0.16 1.49 0.00 0.00 0.00 176.54 177.34 2vn1 h TRP 78 N 0.53 0.50 -0.83 5.60 4.06 -1.32 -1.38 115.95 123.12 2vn1 h TRP 78 Ca 0.46 -0.15 0.02 0.00 2.06 0.00 0.00 58.89 61.28 2vn1 h TRP 78 Cb 0.95 -0.11 -0.05 0.00 -1.00 0.00 0.00 29.16 28.96 2vn1 h TRP 78 CO -0.00 0.78 0.54 -0.44 -3.56 0.00 0.00 178.44 175.76 2vn1 h ASP 79 N 0.08 0.90 -0.09 -3.49 3.32 -1.33 0.55 116.42 116.37 2vn1 h ASP 79 Ca 0.03 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2vn1 h ASP 79 Cb 0.69 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 2vn1 h ASP 79 CO 0.04 0.63 0.03 0.40 -1.72 0.00 0.00 179.24 178.62 2vn1 h ILE 80 N 1.06 1.18 -0.15 0.35 2.04 -1.31 -2.11 117.51 118.57 2vn1 h ILE 80 Ca 0.32 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 2vn1 h ILE 80 Cb -0.04 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2vn1 h ILE 80 CO -0.10 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.21 2vn1 h VAL 82 N 0.01 1.26 0.00 0.00 2.07 -0.96 -2.43 116.25 116.21 2vn1 h VAL 82 Ca 0.04 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.31 2vn1 h VAL 82 Cb 0.37 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2vn1 h VAL 82 CO 0.01 0.42 0.00 0.77 0.02 0.00 0.00 177.57 178.79 2vn1 h SER 83 N 0.65 0.00 -0.18 0.57 4.64 -1.40 -1.20 113.55 116.63 2vn1 h SER 83 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2vn1 h SER 83 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2vn1 h SER 83 CO 0.05 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.47 2vn1 n SER 84 N -2.34 3.02 -4.94 4.97 3.41 -0.92 -4.81 113.62 112.02 2vn1 n SER 84 Ca -0.00 -1.92 -0.25 0.00 -0.26 0.00 0.00 58.87 56.44 2vn1 n SER 84 Cb 0.10 -0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 2vn1 n SER 84 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2vn1 s MET 85 N -1.60 3.50 0.15 4.33 -1.94 -0.45 -5.11 119.30 118.18 2vn1 s MET 85 Ca 0.30 -0.34 0.07 0.00 -1.71 0.00 0.00 55.69 54.00 2vn1 s MET 85 Cb 0.19 -2.72 -0.04 0.00 2.01 0.00 0.00 34.83 34.27 2vn1 s MET 85 CO 0.28 0.23 -0.02 1.03 -0.01 0.00 0.00 175.02 176.52 2vn1 s ARG 86 N -4.02 2.35 0.24 2.03 0.52 -1.26 -4.28 118.95 114.54 2vn1 s ARG 86 Ca 0.39 -1.07 -0.30 0.00 -0.52 0.00 0.00 55.73 54.23 2vn1 s ARG 86 Cb -0.10 -2.36 -0.14 0.00 0.52 0.00 0.00 34.95 32.87 2vn1 s ARG 86 CO 0.33 0.47 1.16 1.17 0.02 0.00 0.00 175.30 178.46 2vn1 n LYS 87 N 0.10 1.47 -0.94 3.54 4.81 -0.01 -1.13 118.16 126.00 2vn1 n LYS 87 Ca -0.10 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 2vn1 n LYS 87 Cb 0.54 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.59 2vn1 n LYS 87 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2vn1 n ASN 88 N 1.66 -2.56 -4.78 3.14 3.02 0.23 -1.05 115.26 114.93 2vn1 n ASN 88 Ca 0.12 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.30 2vn1 n ASN 88 Cb 0.30 -1.27 -0.05 0.00 -0.61 0.00 0.00 39.78 38.15 2vn1 n ASN 88 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2vn1 s GLU 89 N -0.55 4.30 -0.09 3.52 2.12 -0.29 -4.53 118.70 123.19 2vn1 s GLU 89 Ca 0.00 1.50 0.05 0.00 0.36 0.00 0.00 54.97 56.87 2vn1 s GLU 89 Cb 0.00 -2.66 -0.00 0.00 0.26 0.00 0.00 34.13 31.73 2vn1 s GLU 89 CO 0.00 -0.02 -0.24 0.15 -0.54 0.00 0.00 175.26 174.61 2vn1 s LYS 90 N -2.31 2.89 0.18 4.30 1.02 -0.29 -1.79 119.74 123.76 2vn1 s LYS 90 Ca 0.55 -0.89 -0.06 0.00 0.02 0.00 0.00 55.97 55.59 2vn1 s LYS 90 Cb -0.22 -2.26 -0.02 0.00 -0.52 0.00 0.00 37.83 34.81 2vn1 s LYS 90 CO 0.28 0.25 0.25 0.00 -0.92 0.00 0.00 175.35 175.20 2vn1 s LEU 92 N -3.04 2.08 -0.07 0.00 2.96 0.36 -0.55 118.68 120.41 2vn1 s LEU 92 Ca 0.25 -0.57 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 2vn1 s LEU 92 Cb 0.04 -1.41 0.00 0.00 0.50 0.00 0.00 46.19 45.33 2vn1 s LEU 92 CO 0.05 0.12 -0.18 0.54 -1.32 0.00 0.00 176.35 175.56 2vn1 s VAL 93 N 0.59 1.58 -0.27 1.68 0.11 0.13 0.14 120.40 124.36 2vn1 s VAL 93 Ca -0.13 -0.76 -0.10 0.00 -2.93 0.00 0.00 61.98 58.06 2vn1 s VAL 93 Cb -0.17 -1.39 -0.05 0.00 -1.53 0.00 0.00 36.38 33.25 2vn1 s VAL 93 CO 0.03 0.45 0.17 -0.60 -3.33 0.00 0.00 175.10 171.82 2vn1 s ARG 94 N 0.38 3.92 -0.23 1.54 3.52 0.01 -1.36 118.95 126.73 2vn1 s ARG 94 Ca -0.14 -0.34 0.02 0.00 -0.13 0.00 0.00 55.73 55.15 2vn1 s ARG 94 Cb -0.16 -3.59 0.04 0.00 -1.56 0.00 0.00 34.95 29.69 2vn1 s ARG 94 CO 0.05 -0.15 -0.14 0.42 -0.81 0.00 0.00 175.30 174.67 2vn1 s ILE 95 N 1.64 2.10 0.54 4.11 1.01 0.14 -1.94 121.20 128.79 2vn1 s ILE 95 Ca 0.07 -1.34 -0.17 0.00 0.00 0.00 0.00 60.65 59.21 2vn1 s ILE 95 Cb -0.16 -2.09 -0.06 0.00 0.01 0.00 0.00 42.46 40.16 2vn1 s ILE 95 CO 0.09 0.20 1.03 -1.61 0.00 0.00 0.00 174.94 174.64 2vn1 s GLU 96 N 1.19 3.64 0.32 2.79 2.02 -0.07 0.35 118.70 128.94 2vn1 s GLU 96 Ca -0.03 1.14 0.07 0.00 0.02 0.00 0.00 54.97 56.17 2vn1 s GLU 96 Cb -0.17 -2.08 0.89 0.00 0.10 0.00 0.00 34.13 32.87 2vn1 s GLU 96 CO -0.08 -0.54 1.53 -1.13 0.02 0.00 0.00 175.26 175.06 2vn1 n SER 97 N -1.65 0.00 -0.27 -0.19 3.41 -1.09 -0.29 113.62 113.54 2vn1 n SER 97 Ca 0.08 1.64 0.19 0.00 -0.26 0.00 0.00 58.87 60.52 2vn1 n SER 97 Cb 0.53 -0.65 0.49 0.00 -0.26 0.00 0.00 64.21 64.32 2vn1 n SER 97 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 2vn1 h MET 98 N 0.00 0.44 -0.55 4.33 -1.53 -1.90 0.38 114.93 116.09 2vn1 h MET 98 Ca 0.65 -0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.89 2vn1 h MET 98 Cb 1.47 -0.10 0.00 0.00 -0.55 0.00 0.00 31.60 32.42 2vn1 h MET 98 CO -0.87 0.29 0.00 0.66 0.14 0.00 0.00 176.91 177.13 2vn1 n TYR 99 N -4.55 0.87 0.00 1.39 4.02 0.60 -4.76 117.16 114.73 2vn1 n TYR 99 Ca 0.21 -0.54 0.00 0.00 -0.01 0.00 0.00 57.90 57.56 2vn1 n TYR 99 Cb 0.71 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.96 2vn1 n TYR 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2vn1 n GLY 100 N 1.04 1.52 1.73 2.72 0.00 0.11 -0.68 105.19 111.64 2vn1 n GLY 100 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.29 2vn1 n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2vn1 n TYR 101 N 0.00 1.89 -0.79 1.61 4.01 -1.20 -4.68 117.16 118.01 2vn1 n TYR 101 Ca 0.00 -0.75 0.00 0.00 -0.16 0.00 0.00 57.90 56.99 2vn1 n TYR 101 Cb 0.00 -0.47 0.00 0.00 -0.31 0.00 0.00 39.34 38.56 2vn1 n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2vn1 n GLY 102 N 0.48 1.37 0.20 2.72 0.00 0.04 -0.57 105.19 109.43 2vn1 n GLY 102 Ca 0.27 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 46.02 2vn1 n GLY 102 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2vn1 h ASP 103 N 1.55 0.00 -0.32 1.61 3.45 -1.92 0.15 116.42 120.93 2vn1 h ASP 103 Ca 0.00 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.36 2vn1 h ASP 103 Cb 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 2vn1 h ASP 103 CO 0.00 0.18 -0.20 -0.33 -1.57 0.00 0.00 179.24 177.32 2vn1 h GLU 104 N 0.00 0.70 0.00 3.56 3.07 -1.88 -3.38 114.58 116.65 2vn1 h GLU 104 Ca -0.00 -0.32 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 2vn1 h GLU 104 Cb 1.07 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 2vn1 h GLU 104 CO 0.02 0.93 0.00 0.41 -1.40 0.00 0.00 179.01 178.97 2vn1 n GLY 105 N 0.01 -2.06 2.82 -3.84 0.00 0.26 -4.51 105.19 97.87 2vn1 n GLY 105 Ca -0.03 -1.52 -0.17 0.00 0.00 0.00 0.00 46.02 44.30 2vn1 n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vn1 n GLY 107 N 5.05 1.53 0.50 0.00 0.00 -1.26 -1.60 105.19 109.42 2vn1 n GLY 107 Ca -0.10 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.51 2vn1 n GLY 107 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2vn1 n GLU 108 N 7.14 2.27 0.01 1.61 1.02 -1.26 -4.49 120.64 126.94 2vn1 n GLU 108 Ca 0.00 -1.75 -0.16 0.00 -0.02 0.00 0.00 57.16 55.24 2vn1 n GLU 108 Cb 0.00 -1.22 -0.14 0.00 -0.02 0.00 0.00 31.44 30.06 2vn1 n GLU 108 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2vn1 h SER 109 N 1.74 0.27 -3.76 1.62 0.87 -1.98 -3.44 113.55 108.86 2vn1 h SER 109 Ca 0.00 -0.52 -0.66 0.00 -1.23 0.00 0.00 61.79 59.39 2vn1 h SER 109 Cb 0.62 -0.09 -0.38 0.00 -0.44 0.00 0.00 62.40 62.11 2vn1 h SER 109 CO 0.00 1.45 -0.77 -0.63 -0.53 0.00 0.00 176.83 176.35 2vn1 s ILE 110 N -2.59 2.08 0.95 2.23 1.01 -0.63 -5.02 121.20 119.24 2vn1 s ILE 110 Ca -0.13 -1.81 -0.11 0.00 0.00 0.00 0.00 60.65 58.60 2vn1 s ILE 110 Cb 0.07 -2.33 0.16 0.00 0.01 0.00 0.00 42.46 40.37 2vn1 s ILE 110 CO 0.81 -0.25 1.09 -2.84 0.00 0.00 0.00 174.94 173.76 2vn1 s PRO 111 N 1.09 0.79 0.74 2.79 0.02 -1.26 -0.27 135.00 138.89 2vn1 s PRO 111 Ca -0.01 1.08 -0.12 0.00 0.02 0.00 0.00 61.00 61.96 2vn1 s PRO 111 Cb -0.19 -1.73 0.04 0.00 0.02 0.00 0.00 34.50 32.63 2vn1 s PRO 111 CO -0.07 -2.64 1.11 0.20 -0.33 0.00 0.00 177.00 175.27 2vn1 s GLY 112 N -2.99 1.88 -1.49 0.52 0.00 -1.26 -3.48 107.32 100.50 2vn1 s GLY 112 Ca 0.65 0.41 -0.12 0.00 0.00 0.00 0.00 44.72 45.66 2vn1 s GLY 112 CO 0.59 0.77 1.01 0.70 0.00 0.00 0.00 173.10 176.17 2vn1 n ASN 113 N -3.11 -5.25 -4.87 1.64 3.02 0.52 -4.94 115.26 102.27 2vn1 n ASN 113 Ca 0.10 -0.69 -0.37 0.00 -0.03 0.00 0.00 54.58 53.59 2vn1 n ASN 113 Cb 0.52 -4.18 -0.06 0.00 -0.61 0.00 0.00 39.78 35.45 2vn1 n ASN 113 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2vn1 s SER 114 N -3.26 6.36 -0.07 6.41 0.01 -1.23 -4.86 113.70 117.06 2vn1 s SER 114 Ca 0.63 0.45 -0.16 0.00 1.31 0.00 0.00 55.95 58.18 2vn1 s SER 114 Cb -0.31 -2.06 -0.05 0.00 0.21 0.00 0.00 66.02 63.81 2vn1 s SER 114 CO 0.78 0.39 0.42 -0.69 0.41 0.00 0.00 173.24 174.55 2vn1 s VAL 115 N -0.93 5.13 0.01 3.43 1.01 -1.26 -2.68 120.40 125.11 2vn1 s VAL 115 Ca 0.14 0.85 0.04 0.00 0.00 0.00 0.00 61.98 63.01 2vn1 s VAL 115 Cb -0.12 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2vn1 s VAL 115 CO 0.04 0.44 -0.09 -0.76 0.00 0.00 0.00 175.10 174.73 2vn1 s LEU 116 N -0.13 3.04 -0.15 3.92 1.43 0.16 -2.08 118.68 124.87 2vn1 s LEU 116 Ca 0.24 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2vn1 s LEU 116 Cb -0.15 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.34 2vn1 s LEU 116 CO 0.11 0.28 -0.19 -0.76 0.23 0.00 0.00 176.35 176.02 2vn1 s LEU 117 N -1.36 1.98 -0.01 1.79 1.43 -0.44 0.23 118.68 122.30 2vn1 s LEU 117 Ca 0.16 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 52.74 2vn1 s LEU 117 Cb -0.11 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.75 2vn1 s LEU 117 CO 0.06 0.03 -0.15 -0.36 0.23 0.00 0.00 176.35 176.16 2vn1 s PHE 118 N 1.08 1.34 -0.23 0.29 0.08 -0.47 -0.79 117.98 119.28 2vn1 s PHE 118 Ca -0.02 -0.26 -0.06 0.00 0.12 0.00 0.00 56.93 56.72 2vn1 s PHE 118 Cb -0.14 -0.86 -0.02 0.00 -0.57 0.00 0.00 43.02 41.42 2vn1 s PHE 118 CO -0.06 -0.03 0.03 -1.21 -0.10 0.00 0.00 175.22 173.85 2vn1 s GLU 119 N -0.34 3.60 -0.03 0.44 2.02 -0.34 0.20 118.70 124.24 2vn1 s GLU 119 Ca 0.06 -0.51 0.06 0.00 0.02 0.00 0.00 54.97 54.59 2vn1 s GLU 119 Cb -0.06 -3.20 -0.01 0.00 0.10 0.00 0.00 34.13 30.96 2vn1 s GLU 119 CO -0.01 -0.12 -0.21 0.42 0.02 0.00 0.00 175.26 175.36 2vn1 s ILE 120 N 1.39 1.68 -0.20 -1.63 1.01 0.28 -1.78 121.20 121.95 2vn1 s ILE 120 Ca 0.05 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.83 2vn1 s ILE 120 Cb -0.15 -1.42 0.03 0.00 0.01 0.00 0.00 42.46 40.94 2vn1 s ILE 120 CO 0.02 0.48 -0.15 -0.70 0.00 0.00 0.00 174.94 174.58 2vn1 s GLU 121 N -0.28 2.53 -0.64 2.79 2.12 -0.67 -0.91 118.70 123.64 2vn1 s GLU 121 Ca 0.02 -0.93 -0.25 0.00 0.36 0.00 0.00 54.97 54.18 2vn1 s GLU 121 Cb -0.10 -2.56 0.04 0.00 0.26 0.00 0.00 34.13 31.77 2vn1 s GLU 121 CO 0.01 -0.35 1.10 -1.17 -0.54 0.00 0.00 175.26 174.31 2vn1 s LEU 122 N 1.29 3.77 0.01 2.70 2.96 -0.74 -2.12 118.68 126.56 2vn1 s LEU 122 Ca 0.00 -0.48 -0.19 0.00 -0.22 0.00 0.00 54.13 53.25 2vn1 s LEU 122 Cb -0.15 -2.69 -0.25 0.00 0.50 0.00 0.00 46.19 43.60 2vn1 s LEU 122 CO -0.10 -1.52 1.09 -0.07 -1.32 0.00 0.00 176.35 174.43 2vn1 h LEU 123 N 11.88 0.63 -7.92 -0.68 3.38 -1.50 0.67 115.31 121.77 2vn1 h LEU 123 Ca -0.27 -0.79 0.35 0.00 0.09 0.00 0.00 57.88 57.25 2vn1 h LEU 123 Cb 1.06 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.55 2vn1 h LEU 123 CO 1.19 1.34 0.90 -0.94 0.09 0.00 0.00 178.44 181.02 2vn1 s SER 124 N -6.94 0.00 0.05 -0.43 1.04 -1.08 -4.57 113.70 101.77 2vn1 s SER 124 Ca -0.12 -0.19 -0.27 0.00 0.48 0.00 0.00 55.95 55.85 2vn1 s SER 124 Cb 0.04 0.14 0.09 0.00 0.10 0.00 0.00 66.02 66.39 2vn1 s SER 124 CO 0.85 -0.28 0.81 0.72 0.98 0.00 0.00 173.24 176.32 2vn1 s PHE 125 N -2.05 -0.39 -0.04 5.02 -0.71 -1.26 -0.62 117.98 117.94 2vn1 s PHE 125 Ca 0.29 0.22 -0.12 0.00 -1.04 0.00 0.00 56.93 56.27 2vn1 s PHE 125 Cb -0.00 0.55 0.02 0.00 -1.21 0.00 0.00 43.02 42.38 2vn1 s PHE 125 CO -0.01 -0.66 0.27 -0.98 -1.34 0.00 0.00 175.22 172.50 2vn1 s ARG 126 N -3.32 0.53 0.23 1.99 1.70 -0.42 -4.98 118.95 114.68 2vn1 s ARG 126 Ca 0.04 -0.05 -0.21 0.00 -0.47 0.00 0.00 55.73 55.05 2vn1 s ARG 126 Cb -0.01 0.24 -0.08 0.00 -0.57 0.00 0.00 34.95 34.52 2vn1 s ARG 126 CO -0.09 -0.12 0.76 -2.00 -1.08 0.00 0.00 175.30 172.76 2vn1 s GLU 127 N -0.88 4.32 0.23 3.89 2.12 -1.26 -1.57 118.70 125.55 2vn1 s GLU 127 Ca -0.10 0.95 0.01 0.00 0.36 0.00 0.00 54.97 56.20 2vn1 s GLU 127 Cb -0.05 -2.89 0.04 0.00 0.26 0.00 0.00 34.13 31.50 2vn1 s GLU 127 CO 0.02 0.39 0.32 1.28 -0.54 0.00 0.00 175.26 176.74 2vn1 n LEU 128 N 0.76 0.00 0.00 2.70 4.77 -1.26 -4.97 117.00 119.00 2vn1 n LEU 128 Ca -0.02 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 2vn1 n LEU 128 Cb 0.51 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2vn1 n LEU 128 CO 0.43 -0.64 0.00 -1.84 -1.33 0.00 0.00 177.39 174.02