#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yit s SER 2 N 0.00 5.21 0.17 8.00 1.04 -1.26 -5.01 113.70 121.84 1yit s SER 2 Ca 0.00 -0.63 -0.17 0.00 0.48 0.00 0.00 55.95 55.63 1yit s SER 2 Cb 0.00 -0.70 0.10 0.00 0.10 0.00 0.00 66.02 65.53 1yit s SER 2 CO 0.00 -0.59 1.67 0.50 0.98 0.00 0.00 173.24 175.81 1yit h LYS 3 N 1.03 0.02 -0.38 4.02 3.64 -2.07 -1.81 116.57 121.02 1yit h LYS 3 Ca -0.42 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.03 1yit h LYS 3 Cb 1.26 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.01 1yit h LYS 3 CO 0.56 0.01 -0.05 0.87 -2.27 0.00 0.00 179.45 178.57 1yit h LYS 4 N 0.02 0.04 -0.33 1.90 1.57 -2.02 -2.17 116.57 115.58 1yit h LYS 4 Ca 0.20 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.07 1yit h LYS 4 Cb 0.30 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1yit h LYS 4 CO -0.40 0.03 0.26 -0.22 -0.57 0.00 0.00 179.45 178.55 1yit h LYS 5 N 0.04 0.00 -0.13 3.15 1.63 -1.73 -1.77 116.57 117.77 1yit h LYS 5 Ca 0.18 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1yit h LYS 5 Cb 0.27 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1yit h LYS 5 CO -0.36 0.00 0.00 0.54 -3.45 0.00 0.00 179.45 176.18 1yit n ARG 6 N -4.25 1.66 0.07 1.90 1.74 -0.82 -4.35 116.66 112.60 1yit n ARG 6 Ca 0.05 -0.98 -0.07 0.00 -0.77 0.00 0.00 57.85 56.07 1yit n ARG 6 Cb 0.43 -1.40 0.06 0.00 -1.02 0.00 0.00 32.46 30.53 1yit n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1yit h GLN 7 N 2.05 0.30 -6.12 5.56 1.08 -1.33 -3.44 115.11 113.20 1yit h GLN 7 Ca 0.00 -0.24 -0.67 0.00 -1.45 0.00 0.00 58.65 56.29 1yit h GLN 7 Cb 0.45 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1yit h GLN 7 CO 0.00 0.88 1.19 0.54 -0.95 0.00 0.00 178.83 180.48 1yit n ARG 8 N -3.83 1.51 0.00 1.46 5.12 -1.26 -0.59 116.66 119.07 1yit n ARG 8 Ca -0.03 0.51 0.00 0.00 -1.93 0.00 0.00 57.85 56.39 1yit n ARG 8 Cb 0.68 -2.47 0.00 0.00 -1.16 0.00 0.00 32.46 29.51 1yit n ARG 8 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yit n GLY 9 N 5.20 0.58 0.01 -0.13 0.00 -1.26 -4.93 105.19 104.66 1yit n GLY 9 Ca 0.31 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.45 1yit n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1yit n SER 10 N 0.00 0.40 0.00 1.61 3.41 0.24 -4.94 113.62 114.34 1yit n SER 10 Ca 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1yit n SER 10 Cb 0.00 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1yit n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1yit n ARG 11 N -1.57 0.00 0.00 4.33 0.63 -1.26 -4.05 116.66 114.75 1yit n ARG 11 Ca 0.06 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.13 1yit n ARG 11 Cb 0.35 0.00 0.51 0.00 0.45 0.00 0.00 32.46 33.76 1yit n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1yit n THR 12 N 0.00 0.00 -4.34 5.15 -2.24 -1.26 -4.95 114.28 106.63 1yit n THR 12 Ca 0.00 -0.24 -0.39 0.00 -2.27 0.00 0.00 64.05 61.15 1yit n THR 12 Cb 0.00 0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 68.68 1yit n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1yit n HIS 13 N 0.09 -1.54 -0.99 4.78 8.25 -1.26 -1.10 115.22 123.46 1yit n HIS 13 Ca 0.18 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.40 1yit n HIS 13 Cb 0.36 -2.56 0.00 0.00 1.12 0.00 0.00 29.99 28.90 1yit n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yit n GLY 14 N -1.27 0.52 0.44 -1.41 0.00 -1.26 -4.89 105.19 97.32 1yit n GLY 14 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1yit n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yit n GLY 15 N -2.39 -0.04 6.52 -0.02 0.00 -0.26 -5.02 105.19 103.98 1yit n GLY 15 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1yit n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yit n GLY 16 N 1.12 0.35 3.72 -0.02 0.00 -1.26 -4.71 105.19 104.39 1yit n GLY 16 Ca 0.18 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 1yit n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yit n SER 17 N 5.47 3.12 0.00 1.61 2.88 -1.26 -4.80 113.62 120.63 1yit n SER 17 Ca 0.00 1.21 0.06 0.00 -1.33 0.00 0.00 58.87 58.80 1yit n SER 17 Cb 0.00 -1.53 0.30 0.00 -0.75 0.00 0.00 64.21 62.23 1yit n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yit n HIS 18 N 0.58 0.00 1.29 0.66 -0.00 -1.26 -1.25 115.22 115.23 1yit n HIS 18 Ca 0.04 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.86 1yit n HIS 18 Cb 0.37 -0.21 0.36 0.00 -0.00 0.00 0.00 29.99 30.50 1yit n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1yit n LYS 19 N -1.21 1.64 -0.01 -1.40 5.02 -1.26 -4.56 118.16 116.37 1yit n LYS 19 Ca 0.06 -0.97 -0.01 0.00 -2.02 0.00 0.00 58.31 55.38 1yit n LYS 19 Cb 0.08 -1.36 -0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1yit n LYS 19 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1yit h ASN 20 N 1.88 0.00 -0.08 4.39 2.35 -1.47 -3.43 115.58 119.22 1yit h ASN 20 Ca 0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 1yit h ASN 20 Cb 0.42 0.00 0.07 0.00 0.05 0.00 0.00 38.32 38.85 1yit h ASN 20 CO 0.00 0.14 1.52 0.54 -1.65 0.00 0.00 177.43 177.98 1yit n ARG 21 N -2.69 0.82 0.00 0.81 1.74 -1.26 -4.68 116.66 111.40 1yit n ARG 21 Ca -0.01 -1.62 0.00 0.00 -0.77 0.00 0.00 57.85 55.45 1yit n ARG 21 Cb 0.05 -3.01 0.00 0.00 -1.02 0.00 0.00 32.46 28.48 1yit n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1yit n ARG 22 N 7.68 0.00 0.00 5.56 1.74 -1.26 -5.15 116.66 125.23 1yit n ARG 22 Ca 0.47 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 1yit n ARG 22 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.87 1yit n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yit n GLY 23 N 5.00 1.26 0.12 -0.13 0.00 -1.26 -4.94 105.19 105.24 1yit n GLY 23 Ca 0.00 -1.91 0.09 0.00 0.00 0.00 0.00 46.02 44.20 1yit n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yit n ALA 24 N -3.00 1.18 0.11 4.61 0.00 -1.26 -2.24 120.51 119.91 1yit n ALA 24 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.59 1yit n ALA 24 Cb 0.00 -1.28 0.34 0.00 0.00 0.00 0.00 19.45 18.51 1yit n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1yit h GLY 25 N 0.53 0.24 2.00 0.00 0.00 -1.92 -0.92 103.07 103.00 1yit h GLY 25 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1yit h GLY 25 CO 0.00 0.16 0.00 1.57 0.00 0.00 0.00 176.54 178.27 1yit n HIS 26 N -4.19 0.71 0.12 5.60 -0.00 -0.95 -1.52 115.22 114.99 1yit n HIS 26 Ca -0.01 0.29 0.04 0.00 -0.00 0.00 0.00 57.72 58.04 1yit n HIS 26 Cb 0.34 -0.97 0.07 0.00 -0.00 0.00 0.00 29.99 29.43 1yit n HIS 26 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1yit n ARG 27 N -2.16 1.41 -2.49 1.57 1.74 -0.57 -4.99 116.66 111.17 1yit n ARG 27 Ca 0.02 -1.41 -0.15 0.00 -0.77 0.00 0.00 57.85 55.54 1yit n ARG 27 Cb 0.19 -1.18 0.01 0.00 -1.02 0.00 0.00 32.46 30.46 1yit n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yit n GLY 28 N 0.36 -0.19 0.00 -0.13 0.00 -0.57 -4.82 105.19 99.83 1yit n GLY 28 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1yit n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yit n GLY 29 N -1.13 3.27 3.71 -0.02 0.00 -0.46 -4.62 105.19 105.94 1yit n GLY 29 Ca -0.13 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 1yit n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yit s ARG 30 N -3.70 4.41 7.72 1.61 6.06 -1.26 -4.59 118.95 129.19 1yit s ARG 30 Ca 0.00 1.85 0.00 0.00 -2.50 0.00 0.00 55.73 55.08 1yit s ARG 30 Cb 0.00 -3.32 0.00 0.00 0.06 0.00 0.00 34.95 31.69 1yit s ARG 30 CO 0.00 -0.29 0.00 0.41 -2.50 0.00 0.00 175.30 172.92 1yit n GLY 31 N 3.24 3.89 0.75 8.12 0.00 -1.26 -1.92 105.19 118.01 1yit n GLY 31 Ca 0.09 0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.15 1yit n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yit n ASP 32 N 6.42 2.04 -4.62 1.61 8.00 -1.26 -4.96 116.55 123.78 1yit n ASP 32 Ca 0.00 -2.18 -0.47 0.00 0.71 0.00 0.00 54.79 52.85 1yit n ASP 32 Cb 0.00 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 1yit n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yit n ALA 33 N 0.20 0.04 -1.02 2.24 0.00 -0.81 -1.98 120.51 119.18 1yit n ALA 33 Ca 0.09 0.43 -0.01 0.00 0.00 0.00 0.00 53.44 53.95 1yit n ALA 33 Cb 0.42 -2.12 -0.00 0.00 0.00 0.00 0.00 19.45 17.74 1yit n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yit n GLY 34 N 1.91 0.48 0.00 0.00 0.00 -1.26 -4.74 105.19 101.58 1yit n GLY 34 Ca 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1yit n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1yit n ARG 35 N -2.71 0.00 0.00 1.61 -4.01 -0.84 -0.56 116.66 110.16 1yit n ARG 35 Ca -0.01 0.17 0.00 0.00 -1.04 0.00 0.00 57.85 56.98 1yit n ARG 35 Cb 0.06 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 27.98 1yit n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1yit n ASP 36 N -1.17 0.84 0.00 2.89 5.75 -1.26 -3.79 116.55 119.81 1yit n ASP 36 Ca 0.00 -1.28 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 1yit n ASP 36 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1yit n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1yit n LYS 37 N -0.14 0.00 0.20 0.11 4.76 0.28 -4.78 118.16 118.59 1yit n LYS 37 Ca 0.00 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.58 1yit n LYS 37 Cb 0.23 0.00 0.59 0.00 -1.84 0.00 0.00 35.03 34.01 1yit n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1yit h HIS 38 N 0.00 0.00 -0.33 2.13 2.07 -1.93 -3.21 115.15 113.88 1yit h HIS 38 Ca 0.00 0.00 -0.26 0.00 -2.85 0.00 0.00 60.37 57.26 1yit h HIS 38 Cb 0.00 0.00 -0.30 0.00 2.57 0.00 0.00 27.41 29.68 1yit h HIS 38 CO 0.00 0.00 -0.84 0.39 -3.07 0.00 0.00 177.93 174.41 1yit n GLU 39 N -2.63 1.96 0.21 5.12 1.02 -0.77 -4.81 120.64 120.73 1yit n GLU 39 Ca 0.01 -3.37 0.06 0.00 -0.02 0.00 0.00 57.16 53.83 1yit n GLU 39 Cb 0.26 -1.52 0.52 0.00 -0.02 0.00 0.00 31.44 30.68 1yit n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1yit h PHE 40 N 1.73 0.06 -1.42 -0.32 -5.15 -1.59 -3.41 116.94 106.83 1yit h PHE 40 Ca 0.04 -0.00 -0.72 0.00 -0.20 0.00 0.00 57.97 57.09 1yit h PHE 40 Cb 1.40 -0.02 0.05 0.00 0.22 0.00 0.00 35.95 37.61 1yit h PHE 40 CO 0.62 0.17 0.28 0.72 -2.00 0.00 0.00 178.31 178.10 1yit n HIS 41 N -4.38 1.15 -3.57 6.09 -0.00 -1.26 -2.67 115.22 110.58 1yit n HIS 41 Ca -0.02 0.80 -0.20 0.00 -0.00 0.00 0.00 57.72 58.30 1yit n HIS 41 Cb 0.20 -2.23 0.05 0.00 -0.00 0.00 0.00 29.99 28.01 1yit n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1yit n ASN 42 N 2.11 -2.46 -4.02 0.41 5.03 -1.26 -5.02 115.26 110.04 1yit n ASN 42 Ca 0.19 -0.77 -0.13 0.00 0.87 0.00 0.00 54.58 54.73 1yit n ASN 42 Cb 0.15 -4.43 -0.12 0.00 -1.02 0.00 0.00 39.78 34.36 1yit n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1yit s HIS 43 N -3.53 0.57 0.46 3.10 3.76 -1.09 -5.12 115.29 113.44 1yit s HIS 43 Ca 0.10 -0.38 -0.24 0.00 -0.15 0.00 0.00 55.06 54.39 1yit s HIS 43 Cb -0.02 -0.35 -0.07 0.00 1.11 0.00 0.00 32.58 33.24 1yit s HIS 43 CO 0.79 -0.07 1.30 -1.21 -0.85 0.00 0.00 174.74 174.70 1yit s GLU 44 N -1.14 3.67 0.49 1.40 0.41 -1.26 -4.94 118.70 117.33 1yit s GLU 44 Ca -0.07 2.12 -0.21 0.00 -0.41 0.00 0.00 54.97 56.39 1yit s GLU 44 Cb -0.08 -2.53 -0.07 0.00 -1.78 0.00 0.00 34.13 29.68 1yit s GLU 44 CO 0.00 -0.73 1.14 -1.25 -0.49 0.00 0.00 175.26 173.93 1yit s PRO 45 N -2.55 3.61 0.85 0.39 0.04 -1.26 -4.98 135.00 131.10 1yit s PRO 45 Ca 0.63 1.67 -0.12 0.00 0.04 0.00 0.00 61.00 63.21 1yit s PRO 45 Cb -0.37 -2.23 0.09 0.00 0.04 0.00 0.00 34.50 32.03 1yit s PRO 45 CO 0.46 -0.65 1.09 1.28 0.04 0.00 0.00 177.00 179.22 1yit n LEU 46 N -0.83 3.56 0.00 -3.56 4.77 -1.26 -4.96 117.00 114.72 1yit n LEU 46 Ca 0.09 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1yit n LEU 46 Cb 0.50 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1yit n LEU 46 CO 0.45 -2.05 0.00 0.61 -1.33 0.00 0.00 177.39 175.06 1yit n GLY 47 N 0.60 3.21 3.82 -0.72 0.00 -1.26 -5.09 105.19 105.74 1yit n GLY 47 Ca 0.12 -1.90 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 1yit n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yit s LYS 48 N -2.47 3.08 -0.11 1.61 1.02 -1.26 -5.11 119.74 116.50 1yit s LYS 48 Ca 0.00 -0.57 -0.04 0.00 0.02 0.00 0.00 55.97 55.38 1yit s LYS 48 Cb 0.00 -2.85 0.06 0.00 -0.52 0.00 0.00 37.83 34.52 1yit s LYS 48 CO 0.00 0.60 0.20 0.45 -0.92 0.00 0.00 175.35 175.68 1yit s SER 49 N -2.25 0.73 0.66 2.83 0.15 -1.26 -5.13 113.70 109.43 1yit s SER 49 Ca 0.29 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.27 1yit s SER 49 Cb -0.12 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1yit s SER 49 CO 0.21 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.01 1yit n GLY 50 N 5.33 -0.13 3.34 9.45 0.00 -1.26 -4.99 105.19 116.93 1yit n GLY 50 Ca -0.05 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 1yit n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1yit s PHE 51 N 0.00 1.02 0.06 1.61 -0.12 -1.26 -5.17 117.98 114.12 1yit s PHE 51 Ca 0.00 -1.24 0.07 0.00 -0.05 0.00 0.00 56.93 55.71 1yit s PHE 51 Cb 0.00 -0.33 -0.03 0.00 -0.63 0.00 0.00 43.02 42.03 1yit s PHE 51 CO 0.00 -0.81 -0.19 0.15 -0.05 0.00 0.00 175.22 174.32 1yit s LYS 52 N -3.91 1.18 0.04 1.99 1.02 -1.26 -5.13 119.74 113.67 1yit s LYS 52 Ca 0.34 -0.95 -0.10 0.00 0.02 0.00 0.00 55.97 55.28 1yit s LYS 52 Cb 0.04 -1.30 -0.05 0.00 -0.52 0.00 0.00 37.83 35.99 1yit s LYS 52 CO 0.14 0.32 0.36 1.03 -0.92 0.00 0.00 175.35 176.28 1yit s ARG 53 N -1.39 3.73 0.06 1.68 0.52 -1.26 -5.01 118.95 117.28 1yit s ARG 53 Ca 0.05 0.14 -0.37 0.00 -0.52 0.00 0.00 55.73 55.03 1yit s ARG 53 Cb -0.09 -3.06 -0.17 0.00 0.52 0.00 0.00 34.95 32.15 1yit s ARG 53 CO 0.02 0.61 1.30 -0.35 0.02 0.00 0.00 175.30 176.91 1yit n PRO 54 N 1.15 0.93 -0.32 3.54 -0.04 -1.26 -4.82 135.00 134.18 1yit n PRO 54 Ca -0.10 0.34 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 1yit n PRO 54 Cb 0.53 -1.96 0.25 0.00 -0.04 0.00 0.00 33.50 32.28 1yit n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1yit h GLN 55 N 4.35 0.04 0.00 0.54 4.20 -1.97 0.17 115.11 122.43 1yit h GLN 55 Ca -0.48 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1yit h GLN 55 Cb 1.35 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.12 1yit h GLN 55 CO 0.76 0.02 0.00 0.36 -0.67 0.00 0.00 178.83 179.30 1yit n LYS 56 N -5.46 0.83 -0.05 1.46 2.85 -1.26 -2.30 118.16 114.23 1yit n LYS 56 Ca 0.20 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.51 1yit n LYS 56 Cb 0.67 -1.19 0.07 0.00 -0.65 0.00 0.00 35.03 33.93 1yit n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1yit n VAL 57 N -0.69 0.29 -3.52 0.58 0.31 0.58 -4.98 118.33 110.90 1yit n VAL 57 Ca 0.08 -0.65 -0.37 0.00 -0.01 0.00 0.00 64.34 63.39 1yit n VAL 57 Cb 0.04 1.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.90 1yit n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1yit s GLN 58 N -0.87 4.17 -0.13 5.55 -0.21 -0.97 -5.00 119.66 122.20 1yit s GLN 58 Ca 0.14 0.18 -0.09 0.00 0.02 0.00 0.00 55.36 55.61 1yit s GLN 58 Cb 0.09 -3.38 -0.04 0.00 1.00 0.00 0.00 33.01 30.67 1yit s GLN 58 CO 0.13 0.33 0.18 -1.21 -2.12 0.00 0.00 175.29 172.59 1yit s GLU 59 N 0.17 3.72 -0.23 2.91 2.02 -1.26 -5.07 118.70 120.96 1yit s GLU 59 Ca 0.19 -0.07 0.02 0.00 0.02 0.00 0.00 54.97 55.13 1yit s GLU 59 Cb -0.14 -3.26 0.04 0.00 0.10 0.00 0.00 34.13 30.87 1yit s GLU 59 CO 0.06 0.62 -0.13 -2.00 0.02 0.00 0.00 175.26 173.83 1yit s GLU 60 N -0.61 2.55 0.06 1.61 2.12 -1.26 -5.04 118.70 118.13 1yit s GLU 60 Ca 0.15 -1.14 -0.21 0.00 0.36 0.00 0.00 54.97 54.13 1yit s GLU 60 Cb -0.12 -2.81 -0.06 0.00 0.26 0.00 0.00 34.13 31.40 1yit s GLU 60 CO 0.04 -0.44 0.61 0.00 -0.54 0.00 0.00 175.26 174.93 1yit s ALA 61 N 1.19 3.54 -0.29 6.30 0.00 -1.26 -0.96 121.76 130.27 1yit s ALA 61 Ca -0.03 0.08 -0.16 0.00 0.00 0.00 0.00 51.96 51.85 1yit s ALA 61 Cb -0.17 -2.72 -0.02 0.00 0.00 0.00 0.00 23.12 20.20 1yit s ALA 61 CO -0.07 0.31 0.43 0.00 0.00 0.00 0.00 175.76 176.43 1yit s ALA 62 N -0.82 3.54 0.29 0.00 0.00 -0.32 -4.96 121.76 119.50 1yit s ALA 62 Ca 0.31 -0.86 0.11 0.00 0.00 0.00 0.00 51.96 51.51 1yit s ALA 62 Cb -0.20 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.05 1yit s ALA 62 CO 0.20 -0.84 -0.10 0.95 0.00 0.00 0.00 175.76 175.96 1yit s THR 63 N 2.19 2.75 -0.21 0.00 -4.23 -1.26 -1.00 115.64 113.88 1yit s THR 63 Ca 0.17 -2.18 -0.23 0.00 -1.18 0.00 0.00 61.69 58.27 1yit s THR 63 Cb -0.16 -2.57 0.06 0.00 1.34 0.00 0.00 72.50 71.18 1yit s THR 63 CO 0.11 -0.34 0.63 -0.51 -0.54 0.00 0.00 174.62 173.97 1yit s ILE 64 N -2.47 0.00 0.13 2.99 2.07 -1.01 -4.98 121.20 117.94 1yit s ILE 64 Ca 0.31 -0.02 -0.12 0.00 -1.41 0.00 0.00 60.65 59.42 1yit s ILE 64 Cb -0.04 -0.89 -0.07 0.00 0.13 0.00 0.00 42.46 41.60 1yit s ILE 64 CO 0.17 -0.01 0.50 -1.81 -1.91 0.00 0.00 174.94 171.88 1yit s ASP 65 N 0.11 6.74 0.34 4.50 1.01 -1.26 0.56 116.67 128.68 1yit s ASP 65 Ca -0.02 0.96 0.10 0.00 0.71 0.00 0.00 52.55 54.30 1yit s ASP 65 Cb -0.04 -2.24 0.85 0.00 1.01 0.00 0.00 42.92 42.49 1yit s ASP 65 CO 0.02 0.10 1.82 -0.37 0.21 0.00 0.00 175.17 176.95 1yit h VAL 66 N 2.72 0.73 -1.00 -1.27 -1.51 -1.16 -0.22 116.25 114.53 1yit h VAL 66 Ca -0.48 -0.23 0.25 0.00 -1.23 0.00 0.00 66.70 65.01 1yit h VAL 66 Cb 1.19 0.01 -0.13 0.00 -2.13 0.00 0.00 31.29 30.23 1yit h VAL 66 CO 0.66 0.12 0.59 -0.09 -1.23 0.00 0.00 177.57 177.63 1yit h ARG 67 N 0.66 0.54 -0.11 5.19 2.43 -1.62 0.64 114.38 122.11 1yit h ARG 67 Ca 0.53 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.62 1yit h ARG 67 Cb 0.94 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.37 1yit h ARG 67 CO -0.29 0.35 -0.09 1.49 -1.51 0.00 0.00 179.97 179.93 1yit h GLU 68 N 0.55 0.25 0.35 0.20 4.81 -1.32 -1.69 114.58 117.74 1yit h GLU 68 Ca 0.66 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.74 1yit h GLU 68 Cb 1.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 1yit h GLU 68 CO -0.49 0.65 -0.22 0.82 -0.73 0.00 0.00 179.01 179.04 1yit h ILE 69 N -0.14 0.00 -1.05 2.32 2.04 -1.18 -3.06 117.51 116.45 1yit h ILE 69 Ca 0.02 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.16 1yit h ILE 69 Cb 0.59 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.56 1yit h ILE 69 CO 0.02 0.00 0.65 -0.78 0.00 0.00 0.00 178.15 178.04 1yit h ASP 70 N -0.54 0.52 0.73 1.72 3.58 -1.02 0.33 116.42 121.75 1yit h ASP 70 Ca -0.05 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1yit h ASP 70 Cb 0.43 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.53 1yit h ASP 70 CO 0.05 0.04 0.00 -0.62 -2.88 0.00 0.00 179.24 175.82 1yit n GLU 71 N -4.79 0.16 -0.20 0.28 1.02 -0.64 -3.28 120.64 113.19 1yit n GLU 71 Ca 0.28 0.37 0.06 0.00 -0.02 0.00 0.00 57.16 57.84 1yit n GLU 71 Cb 0.90 -1.79 0.08 0.00 -0.02 0.00 0.00 31.44 30.60 1yit n GLU 71 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1yit n ASN 72 N -2.08 1.45 -0.21 1.62 3.02 0.11 -4.83 115.26 114.34 1yit n ASN 72 Ca 0.03 -2.56 0.00 0.00 -0.03 0.00 0.00 54.58 52.02 1yit n ASN 72 Cb 0.23 -0.30 0.11 0.00 -0.61 0.00 0.00 39.78 39.21 1yit n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1yit h VAL 73 N 2.41 0.75 0.13 2.41 -1.51 -1.36 0.45 116.25 119.52 1yit h VAL 73 Ca 0.00 -0.13 -0.01 0.00 -1.23 0.00 0.00 66.70 65.33 1yit h VAL 73 Cb 1.09 0.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 1yit h VAL 73 CO 0.00 0.07 -0.06 0.71 -1.23 0.00 0.00 177.57 177.06 1yit h THR 74 N 0.39 1.05 -0.90 7.19 1.35 -1.88 -2.93 112.91 117.18 1yit h THR 74 Ca 0.31 -0.99 0.26 0.00 -0.55 0.00 0.00 66.41 65.44 1yit h THR 74 Cb 0.40 1.64 -0.04 0.00 -1.73 0.00 0.00 68.15 68.43 1yit h THR 74 CO -0.32 0.23 0.73 -0.07 -0.25 0.00 0.00 175.52 175.83 1yit h LEU 75 N -0.67 0.00 -4.67 3.87 3.38 -1.76 0.15 115.31 115.62 1yit h LEU 75 Ca -0.02 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.44 1yit h LEU 75 Cb 0.50 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.10 1yit h LEU 75 CO 0.03 0.00 0.70 0.18 0.09 0.00 0.00 178.44 179.44 1yit n LEU 76 N -4.00 6.64 0.32 1.67 4.77 0.15 -4.62 117.00 121.93 1yit n LEU 76 Ca 0.19 -4.12 0.21 0.00 -0.03 0.00 0.00 56.01 52.26 1yit n LEU 76 Cb 1.04 -1.28 1.12 0.00 -2.33 0.00 0.00 43.42 41.98 1yit n LEU 76 CO 0.35 1.79 1.14 0.00 -1.33 0.00 0.00 177.39 179.34 1yit h ALA 77 N 3.29 1.02 -0.42 -1.18 0.00 -1.12 -2.07 119.26 118.79 1yit h ALA 77 Ca 0.43 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.12 1yit h ALA 77 Cb 0.72 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.38 1yit h ALA 77 CO 0.93 -0.02 0.28 0.00 0.00 0.00 0.00 179.25 180.43 1yit n ALA 78 N -2.03 3.85 -3.47 0.00 0.00 -1.26 -4.75 120.51 112.85 1yit n ALA 78 Ca -0.03 -1.23 -0.16 0.00 0.00 0.00 0.00 53.44 52.03 1yit n ALA 78 Cb 0.09 -1.19 -0.12 0.00 0.00 0.00 0.00 19.45 18.23 1yit n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1yit s ASP 79 N 0.04 1.00 0.00 0.00 1.01 -0.78 -5.12 116.67 112.82 1yit s ASP 79 Ca 0.24 -0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.47 1yit s ASP 79 Cb 0.20 0.60 0.00 0.00 1.01 0.00 0.00 42.92 44.73 1yit s ASP 79 CO 0.04 -0.31 0.00 0.47 0.21 0.00 0.00 175.17 175.58 1yit n ASP 80 N 5.33 0.00 -2.61 0.27 9.92 -1.25 -4.70 116.55 123.51 1yit n ASP 80 Ca -0.05 0.00 -0.34 0.00 -0.53 0.00 0.00 54.79 53.87 1yit n ASP 80 Cb 0.50 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 41.01 1yit n ASP 80 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1yit n VAL 81 N 0.03 3.19 -1.24 2.53 0.31 -1.26 -2.31 118.33 119.58 1yit n VAL 81 Ca 0.00 -4.20 -0.37 0.00 -0.01 0.00 0.00 64.34 59.76 1yit n VAL 81 Cb 0.00 -1.22 0.04 0.00 -0.91 0.00 0.00 33.84 31.75 1yit n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yit n ALA 82 N -0.61 -2.54 0.00 3.52 0.00 -1.26 -4.91 120.51 114.71 1yit n ALA 82 Ca 0.51 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1yit n ALA 82 Cb 0.50 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1yit n ALA 82 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1yit n GLU 83 N 0.48 0.00 -3.85 0.00 0.28 -1.26 -4.73 120.64 111.57 1yit n GLU 83 Ca 0.08 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.82 1yit n GLU 83 Cb 0.50 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.36 1yit n GLU 83 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1yit s PHE 89 N 0.00 1.66 -0.08 -1.84 0.40 0.41 -5.14 117.98 113.39 1yit s PHE 89 Ca 0.00 -0.82 -0.01 0.00 -0.60 0.00 0.00 56.93 55.49 1yit s PHE 89 Cb 0.00 -1.93 0.03 0.00 0.51 0.00 0.00 43.02 41.63 1yit s PHE 89 CO 0.00 -0.49 -0.01 0.50 0.70 0.00 0.00 175.22 175.93 1yit s ARG 90 N -4.29 0.72 0.00 0.44 3.52 -0.98 0.02 118.95 118.39 1yit s ARG 90 Ca 0.36 0.04 0.03 0.00 -0.13 0.00 0.00 55.73 56.03 1yit s ARG 90 Cb -0.02 -1.10 -0.01 0.00 -1.56 0.00 0.00 34.95 32.26 1yit s ARG 90 CO 0.22 -0.31 -0.09 0.54 -0.81 0.00 0.00 175.30 174.84 1yit s VAL 91 N 1.94 0.72 -0.71 7.11 0.11 -0.18 -3.93 120.40 125.45 1yit s VAL 91 Ca 0.05 -0.50 -0.19 0.00 -2.93 0.00 0.00 61.98 58.41 1yit s VAL 91 Cb -0.12 -0.62 0.12 0.00 -1.53 0.00 0.00 36.38 34.22 1yit s VAL 91 CO -0.06 0.12 0.84 -0.62 -3.33 0.00 0.00 175.10 172.06 1yit s ASP 92 N -0.43 6.37 0.31 3.54 -1.08 -1.26 -1.68 116.67 122.44 1yit s ASP 92 Ca 0.02 -1.72 0.06 0.00 -0.52 0.00 0.00 52.55 50.39 1yit s ASP 92 Cb -0.04 -2.32 0.86 0.00 -1.46 0.00 0.00 42.92 39.95 1yit s ASP 92 CO -0.00 -1.06 1.50 0.52 0.52 0.00 0.00 175.17 176.64 1yit n VAL 93 N 5.34 -0.40 -0.48 1.11 0.31 -0.44 -0.15 118.33 123.62 1yit n VAL 93 Ca 0.03 2.06 0.41 0.00 -0.01 0.00 0.00 64.34 66.83 1yit n VAL 93 Cb 0.45 -3.08 0.75 0.00 -0.91 0.00 0.00 33.84 31.05 1yit n VAL 93 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1yit h ARG 94 N 0.00 0.04 -0.01 5.55 3.08 -1.92 0.95 114.38 122.07 1yit h ARG 94 Ca 0.63 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.68 1yit h ARG 94 Cb 1.42 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.46 1yit h ARG 94 CO -0.86 0.03 -0.22 -0.25 -1.07 0.00 0.00 179.97 177.60 1yit n ASP 95 N -4.19 1.60 -0.12 7.04 8.00 0.79 -4.29 116.55 125.36 1yit n ASP 95 Ca 0.34 -1.30 -0.19 0.00 0.71 0.00 0.00 54.79 54.34 1yit n ASP 95 Cb 1.53 0.16 -0.11 0.00 -0.02 0.00 0.00 41.12 42.69 1yit n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1yit n VAL 96 N -0.08 1.39 -2.06 2.53 0.31 0.32 -4.92 118.33 115.82 1yit n VAL 96 Ca 0.13 -0.49 -0.43 0.00 -0.01 0.00 0.00 64.34 63.55 1yit n VAL 96 Cb 0.41 -1.47 -0.03 0.00 -0.91 0.00 0.00 33.84 31.84 1yit n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1yit s VAL 97 N -2.48 3.58 1.11 2.52 1.01 -0.74 -5.00 120.40 120.41 1yit s VAL 97 Ca -0.33 0.63 -0.13 0.00 0.00 0.00 0.00 61.98 62.14 1yit s VAL 97 Cb 0.10 -3.68 0.25 0.00 0.00 0.00 0.00 36.38 33.04 1yit s VAL 97 CO 0.53 -0.36 1.06 -1.61 0.00 0.00 0.00 175.10 174.72 1yit s GLU 98 N 5.15 -0.44 -1.65 2.72 2.02 -1.26 -3.15 118.70 122.09 1yit s GLU 98 Ca 0.75 0.57 0.00 0.00 0.02 0.00 0.00 54.97 56.32 1yit s GLU 98 Cb -0.24 -1.63 0.00 0.00 0.10 0.00 0.00 34.13 32.36 1yit s GLU 98 CO 0.32 -3.33 0.00 0.39 0.02 0.00 0.00 175.26 172.65 1yit n GLU 99 N -4.60 -1.75 0.00 1.61 1.02 -1.26 -4.83 120.64 110.83 1yit n GLU 99 Ca 0.04 0.93 0.13 0.00 -0.02 0.00 0.00 57.16 58.24 1yit n GLU 99 Cb 0.56 -5.50 0.29 0.00 -0.02 0.00 0.00 31.44 26.77 1yit n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yit n ALA 100 N -1.34 3.05 -0.29 0.62 0.00 -1.19 -4.02 120.51 117.35 1yit n ALA 100 Ca -0.21 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1yit n ALA 100 Cb 0.65 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1yit n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1yit n ASP 101 N -0.16 0.00 -0.23 0.00 8.00 -1.26 -3.50 116.55 119.40 1yit n ASP 101 Ca 0.13 0.69 0.00 0.00 0.71 0.00 0.00 54.79 56.32 1yit n ASP 101 Cb 0.40 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 1yit n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1yit n ASP 102 N -1.57 0.41 -4.81 -2.24 5.75 -1.26 -4.82 116.55 108.00 1yit n ASP 102 Ca 0.00 -1.79 -0.34 0.00 -0.01 0.00 0.00 54.79 52.65 1yit n ASP 102 Cb 0.00 -0.20 -0.07 0.00 -1.03 0.00 0.00 41.12 39.82 1yit n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1yit s ALA 103 N -1.55 3.04 -0.70 2.12 0.00 -1.23 -4.95 121.76 118.50 1yit s ALA 103 Ca 0.00 0.44 0.26 0.00 0.00 0.00 0.00 51.96 52.65 1yit s ALA 103 Cb 0.00 -3.17 0.72 0.00 0.00 0.00 0.00 23.12 20.67 1yit s ALA 103 CO 0.00 0.09 1.71 0.22 0.00 0.00 0.00 175.76 177.78 1yit h ASP 104 N 2.02 0.00 0.00 0.00 1.82 -1.37 -3.48 116.42 115.42 1yit h ASP 104 Ca -0.49 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 1yit h ASP 104 Cb 1.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.20 1yit h ASP 104 CO 0.61 0.01 0.00 0.00 -1.61 0.00 0.00 179.24 178.25 1yit n TYR 105 N -2.32 0.00 -3.92 0.28 0.18 -1.26 -4.99 117.16 105.14 1yit n TYR 105 Ca 0.05 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.48 1yit n TYR 105 Cb 0.44 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.31 1yit n TYR 105 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1yit s VAL 106 N -2.00 5.03 -0.05 -3.48 1.01 -1.26 -1.17 120.40 118.48 1yit s VAL 106 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1yit s VAL 106 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1yit s VAL 106 CO 0.00 0.47 -0.15 -0.75 0.00 0.00 0.00 175.10 174.67 1yit s LYS 107 N 0.22 1.78 -0.13 2.72 2.20 -0.17 -1.81 119.74 124.55 1yit s LYS 107 Ca 0.06 -0.54 -0.15 0.00 -0.36 0.00 0.00 55.97 54.97 1yit s LYS 107 Cb -0.12 -1.50 -0.05 0.00 -1.51 0.00 0.00 37.83 34.65 1yit s LYS 107 CO -0.00 0.16 0.36 0.08 -0.36 0.00 0.00 175.35 175.59 1yit s VAL 108 N 0.26 5.25 0.18 4.02 1.01 0.54 -2.41 120.40 129.25 1yit s VAL 108 Ca -0.08 0.71 0.06 0.00 0.00 0.00 0.00 61.98 62.66 1yit s VAL 108 Cb -0.13 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1yit s VAL 108 CO 0.03 0.39 0.12 -0.76 0.00 0.00 0.00 175.10 174.87 1yit s LEU 109 N 0.38 3.72 -0.84 3.92 1.43 0.19 -2.43 118.68 125.05 1yit s LEU 109 Ca 0.20 -0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 53.09 1yit s LEU 109 Cb -0.14 -2.33 0.33 0.00 0.03 0.00 0.00 46.19 44.08 1yit s LEU 109 CO 0.07 0.06 2.06 0.61 0.23 0.00 0.00 176.35 179.38 1yit n GLY 110 N -0.40 5.49 3.67 -3.19 0.00 -1.26 -0.91 105.19 108.59 1yit n GLY 110 Ca -0.08 -2.45 -0.37 0.00 0.00 0.00 0.00 46.02 43.11 1yit n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yit s ALA 111 N -3.95 3.58 0.00 4.61 0.00 -1.26 -4.73 121.76 120.02 1yit s ALA 111 Ca 0.52 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1yit s ALA 111 Cb 0.42 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 21.06 1yit s ALA 111 CO -0.39 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.54 1yit n GLY 112 N 4.09 -1.41 4.01 0.00 0.00 -1.26 -2.32 105.19 108.30 1yit n GLY 112 Ca -0.12 -2.09 -0.18 0.00 0.00 0.00 0.00 46.02 43.63 1yit n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yit s GLN 113 N 0.00 2.67 -0.28 1.61 -0.21 -1.26 -4.81 119.66 117.38 1yit s GLN 113 Ca 0.00 -1.37 -0.03 0.00 0.02 0.00 0.00 55.36 53.98 1yit s GLN 113 Cb 0.00 -2.71 0.10 0.00 1.00 0.00 0.00 33.01 31.40 1yit s GLN 113 CO 0.00 -0.43 0.12 0.08 -2.12 0.00 0.00 175.29 172.93 1yit s VAL 114 N -2.45 0.17 -0.63 1.09 1.01 -1.26 -4.16 120.40 114.18 1yit s VAL 114 Ca 0.56 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1yit s VAL 114 Cb -0.08 -1.11 0.47 0.00 0.00 0.00 0.00 36.38 35.66 1yit s VAL 114 CO 0.34 -0.66 1.98 0.54 0.00 0.00 0.00 175.10 177.31 1yit n ARG 115 N 5.15 2.68 -3.48 2.72 1.74 -1.26 -4.87 116.66 119.34 1yit n ARG 115 Ca -0.05 -3.30 -0.11 0.00 -0.77 0.00 0.00 57.85 53.61 1yit n ARG 115 Cb 0.43 -2.27 -0.02 0.00 -1.02 0.00 0.00 32.46 29.57 1yit n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1yit s HIS 116 N -3.76 -0.47 -0.57 -1.55 3.76 -1.26 -5.10 115.29 106.34 1yit s HIS 116 Ca 0.63 0.23 -0.20 0.00 -0.15 0.00 0.00 55.06 55.57 1yit s HIS 116 Cb 0.50 0.52 0.08 0.00 1.11 0.00 0.00 32.58 34.80 1yit s HIS 116 CO 0.01 -0.85 0.73 -1.83 -0.85 0.00 0.00 174.74 171.94 1yit s GLU 117 N -3.77 3.09 0.01 1.40 -1.05 -1.25 -4.79 118.70 112.35 1yit s GLU 117 Ca 0.02 -1.05 0.02 0.00 -0.15 0.00 0.00 54.97 53.81 1yit s GLU 117 Cb -0.01 -4.20 -0.04 0.00 -0.44 0.00 0.00 34.13 29.45 1yit s GLU 117 CO -0.12 -1.48 0.01 -0.51 0.95 0.00 0.00 175.26 174.11 1yit s LEU 118 N 2.95 3.53 -0.35 1.83 1.43 -1.26 0.16 118.68 126.96 1yit s LEU 118 Ca 0.15 -0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 1yit s LEU 118 Cb -0.21 -2.07 0.10 0.00 0.03 0.00 0.00 46.19 44.04 1yit s LEU 118 CO 0.09 0.26 0.07 -0.89 0.23 0.00 0.00 176.35 176.11 1yit s THR 119 N -1.13 2.32 -0.13 5.49 2.01 0.10 -1.54 115.64 122.77 1yit s THR 119 Ca 0.21 -2.41 -0.10 0.00 0.31 0.00 0.00 61.69 59.70 1yit s THR 119 Cb -0.12 -2.71 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 1yit s THR 119 CO 0.12 -0.62 0.19 -0.76 -0.69 0.00 0.00 174.62 172.87 1yit s LEU 120 N 0.82 4.34 -0.25 4.42 1.43 -0.96 -1.01 118.68 127.47 1yit s LEU 120 Ca 0.11 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.70 1yit s LEU 120 Cb -0.20 -2.18 0.04 0.00 0.03 0.00 0.00 46.19 43.88 1yit s LEU 120 CO -0.07 0.30 -0.10 -0.63 0.23 0.00 0.00 176.35 176.07 1yit s ILE 121 N -0.47 2.40 0.26 -0.59 1.01 -0.68 0.45 121.20 123.57 1yit s ILE 121 Ca 0.15 -1.34 -0.07 0.00 0.00 0.00 0.00 60.65 59.38 1yit s ILE 121 Cb -0.12 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 1yit s ILE 121 CO 0.04 0.12 0.39 0.00 0.00 0.00 0.00 174.94 175.49 1yit s ALA 122 N 1.20 0.39 -0.33 9.38 0.00 -0.94 -1.33 121.76 130.13 1yit s ALA 122 Ca -0.04 -1.26 0.20 0.00 0.00 0.00 0.00 51.96 50.86 1yit s ALA 122 Cb -0.18 1.17 0.24 0.00 0.00 0.00 0.00 23.12 24.36 1yit s ALA 122 CO -0.06 -0.77 1.55 -0.44 0.00 0.00 0.00 175.76 176.04 1yit h ASP 123 N 2.30 0.00 -5.00 0.00 3.32 -1.68 0.11 116.42 115.47 1yit h ASP 123 Ca -0.29 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.70 1yit h ASP 123 Cb 1.25 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.62 1yit h ASP 123 CO 0.41 0.19 0.16 -0.62 -1.72 0.00 0.00 179.24 177.66 1yit s ASP 124 N -6.30 -0.61 0.02 6.45 2.15 -0.81 -4.00 116.67 113.57 1yit s ASP 124 Ca 0.06 0.52 -0.01 0.00 0.43 0.00 0.00 52.55 53.55 1yit s ASP 124 Cb 0.06 0.54 -0.02 0.00 -0.30 0.00 0.00 42.92 43.20 1yit s ASP 124 CO 0.70 -0.68 -0.00 -0.36 -0.17 0.00 0.00 175.17 174.66 1yit s PHE 125 N -1.75 0.21 0.60 -5.34 0.40 -1.26 -0.34 117.98 110.50 1yit s PHE 125 Ca -0.09 -0.43 -0.06 0.00 -0.60 0.00 0.00 56.93 55.75 1yit s PHE 125 Cb -0.00 -0.15 0.01 0.00 0.51 0.00 0.00 43.02 43.38 1yit s PHE 125 CO 0.05 -0.19 0.92 -1.54 0.70 0.00 0.00 175.22 175.15 1yit s SER 126 N -1.34 5.60 0.13 1.36 1.04 -1.02 -4.94 113.70 114.53 1yit s SER 126 Ca -0.15 0.76 -0.19 0.00 0.48 0.00 0.00 55.95 56.86 1yit s SER 126 Cb -0.09 -1.75 -0.01 0.00 0.10 0.00 0.00 66.02 64.27 1yit s SER 126 CO -0.01 -1.08 1.72 -0.08 0.98 0.00 0.00 173.24 174.77 1yit h GLU 127 N -0.21 0.07 0.00 4.02 4.81 -2.01 -2.04 114.58 119.21 1yit h GLU 127 Ca -0.45 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 1yit h GLU 127 Cb 1.25 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1yit h GLU 127 CO 0.61 0.05 -0.14 0.78 -0.73 0.00 0.00 179.01 179.58 1yit h GLY 128 N 0.07 0.00 0.97 1.92 0.00 -1.93 -2.39 103.07 101.71 1yit h GLY 128 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.35 1yit h GLY 128 CO -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.24 1yit h ALA 129 N 1.86 0.52 0.63 3.60 0.00 -1.67 -2.55 119.26 121.65 1yit h ALA 129 Ca -0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1yit h ALA 129 Cb 0.37 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1yit h ALA 129 CO 0.02 0.41 -0.30 0.00 0.00 0.00 0.00 179.25 179.38 1yit h ARG 130 N 0.55 -0.81 -0.91 0.00 3.08 -1.12 -2.41 114.38 112.76 1yit h ARG 130 Ca 0.09 0.06 0.11 0.00 0.07 0.00 0.00 59.98 60.30 1yit h ARG 130 Cb 0.65 0.18 -0.12 0.00 0.08 0.00 0.00 29.97 30.76 1yit h ARG 130 CO 0.04 -0.54 -0.46 0.39 -1.07 0.00 0.00 179.97 178.34 1yit n GLU 131 N -4.47 -0.32 -0.16 0.04 1.02 -0.94 -0.40 120.64 115.40 1yit n GLU 131 Ca -0.10 1.38 -0.04 0.00 -0.02 0.00 0.00 57.16 58.37 1yit n GLU 131 Cb 0.33 -2.04 0.05 0.00 -0.02 0.00 0.00 31.44 29.76 1yit n GLU 131 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1yit h LYS 132 N 0.00 0.48 -0.09 3.49 1.57 -1.47 0.93 116.57 121.48 1yit h LYS 132 Ca 0.22 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1yit h LYS 132 Cb 0.45 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1yit h LYS 132 CO -0.87 0.32 0.03 0.28 -0.57 0.00 0.00 179.45 178.64 1yit h VAL 133 N 0.50 1.18 -0.35 0.50 2.07 -0.20 -2.72 116.25 117.23 1yit h VAL 133 Ca 0.22 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1yit h VAL 133 Cb 0.13 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1yit h VAL 133 CO -0.15 0.15 0.07 -0.33 0.02 0.00 0.00 177.57 177.33 1yit h GLU 134 N -0.05 0.57 0.00 1.57 5.08 -0.82 -0.52 114.58 120.42 1yit h GLU 134 Ca 0.03 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1yit h GLU 134 Cb 0.22 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1yit h GLU 134 CO -0.00 0.64 0.00 0.41 -1.00 0.00 0.00 179.01 179.06 1yit n GLY 135 N -0.51 -0.37 0.29 -3.84 0.00 0.31 -0.82 105.19 100.26 1yit n GLY 135 Ca -0.02 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.04 1yit n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yit n ALA 136 N -0.86 2.61 -2.99 4.61 0.00 -0.82 -4.95 120.51 118.11 1yit n ALA 136 Ca 0.06 -2.69 -0.12 0.00 0.00 0.00 0.00 53.44 50.70 1yit n ALA 136 Cb 0.03 -0.44 0.05 0.00 0.00 0.00 0.00 19.45 19.09 1yit n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yit n GLY 137 N -1.26 0.01 3.38 0.00 0.00 0.00 -3.92 105.19 103.41 1yit n GLY 137 Ca 0.18 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1yit n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yit s GLY 138 N -3.51 2.24 0.15 -0.02 0.00 -0.26 -4.45 107.32 101.46 1yit s GLY 138 Ca 0.17 -1.68 0.05 0.00 0.00 0.00 0.00 44.72 43.26 1yit s GLY 138 CO 0.43 -1.64 -0.11 -1.35 0.00 0.00 0.00 173.10 170.43 1yit s SER 139 N -3.44 1.84 -0.21 1.64 1.04 -0.59 -3.78 113.70 110.21 1yit s SER 139 Ca 0.33 -1.00 -0.00 0.00 0.48 0.00 0.00 55.95 55.76 1yit s SER 139 Cb 0.04 -0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.20 1yit s SER 139 CO 0.18 -0.31 -0.04 -0.69 0.98 0.00 0.00 173.24 173.35 1yit s VAL 140 N -3.25 1.25 -0.26 5.02 1.01 -1.26 -2.26 120.40 120.65 1yit s VAL 140 Ca 0.16 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 1yit s VAL 140 Cb 0.02 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1yit s VAL 140 CO 0.01 -0.03 0.28 -1.61 0.00 0.00 0.00 175.10 173.75 1yit s GLU 141 N 1.54 4.03 -0.25 2.72 2.02 0.17 -4.97 118.70 123.96 1yit s GLU 141 Ca -0.03 -0.10 -0.23 0.00 0.02 0.00 0.00 54.97 54.64 1yit s GLU 141 Cb -0.17 -3.61 -0.01 0.00 0.10 0.00 0.00 34.13 30.43 1yit s GLU 141 CO -0.07 -0.14 0.73 -1.17 0.02 0.00 0.00 175.26 174.63 1yit s LEU 142 N 1.66 4.07 1.05 1.80 2.96 -1.26 -2.22 118.68 126.74 1yit s LEU 142 Ca 0.12 0.88 -0.18 0.00 -0.22 0.00 0.00 54.13 54.73 1yit s LEU 142 Cb -0.15 -3.03 0.03 0.00 0.50 0.00 0.00 46.19 43.54 1yit s LEU 142 CO 0.09 -0.44 -0.10 0.41 -1.32 0.00 0.00 176.35 174.98 1yit n THR 143 N 5.22 0.00 -0.17 3.68 -1.04 0.36 -4.74 114.28 117.59 1yit n THR 143 Ca 0.03 -0.25 -0.09 0.00 -2.04 0.00 0.00 64.05 61.69 1yit n THR 143 Cb 0.48 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 1yit n THR 143 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1yit h ASP 144 N -1.72 0.77 0.05 8.00 3.32 -1.96 -1.47 116.42 123.40 1yit h ASP 144 Ca -0.48 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 56.31 1yit h ASP 144 Cb 1.34 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 1yit h ASP 144 CO 0.34 0.84 -0.10 0.25 -1.72 0.00 0.00 179.24 178.85 1yit h LEU 145 N 0.67 -0.27 -0.33 1.55 6.46 -1.94 0.10 115.31 121.55 1yit h LEU 145 Ca 0.15 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1yit h LEU 145 Cb 0.40 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.43 1yit h LEU 145 CO 0.01 -0.15 0.48 0.61 -0.62 0.00 0.00 178.44 178.77 1yit n GLY 146 N -1.22 -0.36 2.00 3.75 0.00 -0.61 -2.25 105.19 106.49 1yit n GLY 146 Ca -0.06 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1yit n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yit n GLU 147 N -1.71 1.87 -0.08 1.61 1.02 0.36 -3.66 120.64 120.06 1yit n GLU 147 Ca -0.00 -1.14 -0.10 0.00 -0.02 0.00 0.00 57.16 55.89 1yit n GLU 147 Cb 0.48 -1.80 -0.15 0.00 -0.02 0.00 0.00 31.44 29.95 1yit n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1yit n GLU 148 N 1.78 0.67 -1.45 3.49 1.02 -0.96 -4.97 120.64 120.21 1yit n GLU 148 Ca 0.35 0.10 -0.42 0.00 -0.02 0.00 0.00 57.16 57.16 1yit n GLU 148 Cb 0.73 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 1yit n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1yit n ARG 149 N -2.89 0.57 0.00 3.49 5.12 -1.24 -5.24 116.66 116.48 1yit n ARG 149 Ca -0.29 0.21 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 1yit n ARG 149 Cb 1.12 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.94 1yit n ARG 149 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64