#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kvb n LEU 2 N 0.00 0.87 0.00 -0.89 7.94 -1.21 -4.65 117.00 119.06 1kvb n LEU 2 Ca 0.00 0.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.08 1kvb n LEU 2 Cb 0.00 -1.06 0.00 0.00 0.53 0.00 0.00 43.42 42.89 1kvb n LEU 2 CO 0.00 -0.87 0.00 0.29 -1.11 0.00 0.00 177.39 175.70 1kvb n LYS 3 N 8.39 0.00 -2.71 1.96 4.76 -1.26 -3.34 118.16 125.96 1kvb n LYS 3 Ca 0.57 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 56.01 1kvb n LYS 3 Cb 0.12 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.33 1kvb n LYS 3 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1kvb s GLN 4 N 0.00 0.16 0.13 1.97 -1.52 -1.26 -4.80 119.66 114.34 1kvb s GLN 4 Ca 0.00 -0.11 -0.30 0.00 -1.95 0.00 0.00 55.36 53.00 1kvb s GLN 4 Cb 0.00 0.01 -0.07 0.00 -0.22 0.00 0.00 33.01 32.73 1kvb s GLN 4 CO 0.00 -0.22 1.14 0.08 -0.25 0.00 0.00 175.29 176.04 1kvb s VAL 5 N 1.52 3.93 -0.20 1.09 1.01 0.14 -4.72 120.40 123.17 1kvb s VAL 5 Ca 0.18 1.54 -0.04 0.00 0.00 0.00 0.00 61.98 63.67 1kvb s VAL 5 Cb 0.08 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1kvb s VAL 5 CO -0.13 0.21 -0.03 -1.61 0.00 0.00 0.00 175.10 173.53 1kvb s GLU 6 N 0.19 3.48 -0.04 2.72 2.02 -0.99 -0.16 118.70 125.92 1kvb s GLU 6 Ca 0.53 -0.59 0.06 0.00 0.02 0.00 0.00 54.97 55.00 1kvb s GLU 6 Cb -0.29 -3.00 -0.01 0.00 0.10 0.00 0.00 34.13 30.92 1kvb s GLU 6 CO 0.33 -0.07 -0.23 0.42 0.02 0.00 0.00 175.26 175.74 1kvb s ILE 7 N 1.16 1.83 -0.03 -1.63 1.01 0.19 -0.99 121.20 122.74 1kvb s ILE 7 Ca 0.02 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 59.77 1kvb s ILE 7 Cb -0.15 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 1kvb s ILE 7 CO -0.00 0.51 -0.20 -0.36 0.00 0.00 0.00 174.94 174.90 1kvb s PHE 8 N -0.25 1.84 0.05 3.97 0.08 -0.28 -0.27 117.98 123.12 1kvb s PHE 8 Ca 0.01 -0.43 -0.03 0.00 0.12 0.00 0.00 56.93 56.61 1kvb s PHE 8 Cb -0.12 -1.20 -0.03 0.00 -0.57 0.00 0.00 43.02 41.10 1kvb s PHE 8 CO 0.02 -0.09 0.02 0.95 -0.10 0.00 0.00 175.22 176.01 1kvb s THR 9 N -0.29 0.18 -0.18 0.64 -4.23 -0.99 -1.15 115.64 109.62 1kvb s THR 9 Ca 0.03 -1.50 -0.29 0.00 -1.18 0.00 0.00 61.69 58.76 1kvb s THR 9 Cb -0.09 -1.23 0.11 0.00 1.34 0.00 0.00 72.50 72.63 1kvb s THR 9 CO 0.01 -0.83 0.94 -0.62 -0.54 0.00 0.00 174.62 173.58 1kvb s ASP 10 N -2.59 -0.46 0.15 3.99 2.15 -0.84 -4.50 116.67 114.57 1kvb s ASP 10 Ca 0.02 0.64 0.04 0.00 0.43 0.00 0.00 52.55 53.67 1kvb s ASP 10 Cb 0.04 0.56 -0.04 0.00 -0.30 0.00 0.00 42.92 43.17 1kvb s ASP 10 CO -0.08 -0.33 -0.09 -0.83 -0.17 0.00 0.00 175.17 173.68 1kvb s GLY 11 N -0.68 1.08 -0.19 2.66 0.00 -1.26 -0.79 107.32 108.14 1kvb s GLY 11 Ca -0.02 -1.50 -0.20 0.00 0.00 0.00 0.00 44.72 43.00 1kvb s GLY 11 CO 0.01 -1.58 0.56 -0.45 0.00 0.00 0.00 173.10 171.63 1kvb s SER 12 N -3.17 -0.57 -0.03 1.64 0.15 -0.48 -4.83 113.70 106.41 1kvb s SER 12 Ca 0.17 1.07 -0.01 0.00 0.70 0.00 0.00 55.95 57.88 1kvb s SER 12 Cb 0.03 1.08 0.02 0.00 -1.71 0.00 0.00 66.02 65.44 1kvb s SER 12 CO 0.01 -0.22 0.06 0.00 1.20 0.00 0.00 173.24 174.28 1kvb n LEU 14 N 3.52 0.47 -3.81 0.00 4.32 0.14 -4.84 117.00 116.80 1kvb n LEU 14 Ca -0.18 0.02 -0.08 0.00 -0.02 0.00 0.00 56.01 55.74 1kvb n LEU 14 Cb 0.56 -0.20 0.02 0.00 -1.62 0.00 0.00 43.42 42.18 1kvb n LEU 14 CO 0.23 0.09 0.55 -0.83 -1.22 0.00 0.00 177.39 176.20 1kvb s GLY 15 N -2.52 0.35 -0.49 -0.72 0.00 -1.26 -4.92 107.32 97.76 1kvb s GLY 15 Ca 0.27 -0.72 0.04 0.00 0.00 0.00 0.00 44.72 44.31 1kvb s GLY 15 CO 0.49 -0.17 0.37 0.21 0.00 0.00 0.00 173.10 174.01 1kvb s ASN 16 N -3.08 2.40 0.84 1.64 2.47 -1.26 -2.65 114.94 115.29 1kvb s ASN 16 Ca 0.16 -3.24 -0.11 0.00 0.42 0.00 0.00 52.86 50.09 1kvb s ASN 16 Cb -0.05 -0.76 0.14 0.00 -1.45 0.00 0.00 41.25 39.13 1kvb s ASN 16 CO 0.11 -0.15 1.18 -2.16 -3.72 0.00 0.00 177.10 172.36 1kvb s PRO 17 N -0.30 1.39 -0.02 0.43 0.04 -1.26 -5.11 135.00 130.16 1kvb s PRO 17 Ca 0.30 -0.38 -0.29 0.00 0.04 0.00 0.00 61.00 60.67 1kvb s PRO 17 Cb 0.00 -2.01 0.10 0.00 0.04 0.00 0.00 34.50 32.64 1kvb s PRO 17 CO -0.18 -1.86 1.30 0.20 0.04 0.00 0.00 177.00 176.50 1kvb s GLY 18 N -4.73 -0.18 0.47 0.56 0.00 0.15 -4.91 107.32 98.68 1kvb s GLY 18 Ca 0.68 0.15 -0.23 0.00 0.00 0.00 0.00 44.72 45.31 1kvb s GLY 18 CO 0.49 4.87 1.15 -1.55 0.00 0.00 0.00 173.10 178.06 1kvb n PRO 19 N -0.85 1.56 -4.01 2.90 -0.04 -1.18 -1.73 135.00 131.66 1kvb n PRO 19 Ca 0.02 0.56 -0.10 0.00 -0.04 0.00 0.00 63.50 63.94 1kvb n PRO 19 Cb 0.59 -2.27 -0.05 0.00 -0.04 0.00 0.00 33.50 31.74 1kvb n PRO 19 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1kvb s GLY 20 N -0.76 0.76 0.24 0.55 0.00 -0.55 -0.68 107.32 106.88 1kvb s GLY 20 Ca 0.65 -1.04 -0.18 0.00 0.00 0.00 0.00 44.72 44.16 1kvb s GLY 20 CO 0.55 -0.71 0.58 -0.32 0.00 0.00 0.00 173.10 173.20 1kvb s GLY 21 N -3.07 0.06 0.17 0.20 0.00 0.15 -1.64 107.32 103.18 1kvb s GLY 21 Ca 0.24 -0.40 0.06 0.00 0.00 0.00 0.00 44.72 44.62 1kvb s GLY 21 CO 0.12 -0.28 -0.13 -2.52 0.00 0.00 0.00 173.10 170.29 1kvb s TYR 22 N -3.92 1.50 -0.03 1.90 -0.85 -0.88 -1.38 117.35 113.69 1kvb s TYR 22 Ca 0.13 -0.65 -0.00 0.00 -0.52 0.00 0.00 57.07 56.02 1kvb s TYR 22 Cb -0.03 -0.73 0.03 0.00 0.38 0.00 0.00 41.96 41.62 1kvb s TYR 22 CO 0.03 0.23 0.04 0.20 -1.52 0.00 0.00 175.55 174.53 1kvb s GLY 23 N -3.20 0.12 -0.01 5.49 0.00 0.03 -3.21 107.32 106.53 1kvb s GLY 23 Ca 0.19 0.30 0.00 0.00 0.00 0.00 0.00 44.72 45.22 1kvb s GLY 23 CO 0.04 0.85 -0.00 0.00 0.00 0.00 0.00 173.10 173.98 1kvb s ALA 24 N 1.30 0.13 -0.07 3.20 0.00 0.38 -1.99 121.76 124.72 1kvb s ALA 24 Ca -0.06 0.05 0.05 0.00 0.00 0.00 0.00 51.96 52.00 1kvb s ALA 24 Cb -0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 1kvb s ALA 24 CO -0.03 -0.01 -0.24 0.42 0.00 0.00 0.00 175.76 175.89 1kvb s ILE 25 N 0.34 2.11 -0.23 0.00 1.01 -0.30 -0.92 121.20 123.20 1kvb s ILE 25 Ca -0.03 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 59.60 1kvb s ILE 25 Cb -0.05 -1.77 0.05 0.00 0.01 0.00 0.00 42.46 40.70 1kvb s ILE 25 CO -0.01 0.57 -0.11 -0.76 0.00 0.00 0.00 174.94 174.63 1kvb s LEU 26 N -0.07 2.79 -0.84 2.97 2.01 -0.20 -1.13 118.68 124.21 1kvb s LEU 26 Ca -0.06 -1.13 -0.06 0.00 0.01 0.00 0.00 54.13 52.89 1kvb s LEU 26 Cb -0.15 -1.37 0.21 0.00 0.01 0.00 0.00 46.19 44.89 1kvb s LEU 26 CO 0.05 -0.17 0.73 -0.13 1.01 0.00 0.00 176.35 177.84 1kvb s ARG 27 N 1.27 3.29 -0.47 1.70 0.52 -0.16 -0.54 118.95 124.55 1kvb s ARG 27 Ca -0.05 -2.88 -0.14 0.00 -0.52 0.00 0.00 55.73 52.14 1kvb s ARG 27 Cb -0.18 -4.09 0.09 0.00 0.52 0.00 0.00 34.95 31.29 1kvb s ARG 27 CO -0.07 -1.24 0.38 -0.47 0.02 0.00 0.00 175.30 173.92 1kvb s TYR 28 N -0.65 3.28 0.00 -0.53 5.04 -1.06 -2.35 117.35 121.08 1kvb s TYR 28 Ca 0.23 -1.17 0.00 0.00 -2.44 0.00 0.00 57.07 53.69 1kvb s TYR 28 Cb -0.12 -3.24 0.00 0.00 0.35 0.00 0.00 41.96 38.95 1kvb s TYR 28 CO -0.08 -0.85 0.00 0.54 -1.34 0.00 0.00 175.55 173.81 1kvb n ARG 29 N 5.13 0.00 0.22 4.97 1.74 -1.26 -3.38 116.66 124.08 1kvb n ARG 29 Ca -0.12 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.11 1kvb n ARG 29 Cb 0.43 0.00 0.76 0.00 -1.02 0.00 0.00 32.46 32.63 1kvb n ARG 29 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1kvb h GLY 30 N 0.00 0.00 -0.89 -0.13 0.00 -1.99 -3.44 103.07 96.61 1kvb h GLY 30 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 1kvb h GLY 30 CO 0.00 0.00 0.37 0.50 0.00 0.00 0.00 176.54 177.41 1kvb s ARG 31 N -3.70 2.15 -0.01 4.80 0.52 -1.22 -5.10 118.95 116.39 1kvb s ARG 31 Ca -0.02 0.40 0.01 0.00 -0.52 0.00 0.00 55.73 55.60 1kvb s ARG 31 Cb 0.09 -1.95 0.01 0.00 0.52 0.00 0.00 34.95 33.62 1kvb s ARG 31 CO 0.30 -1.53 -0.03 -2.00 0.02 0.00 0.00 175.30 172.07 1kvb s GLU 32 N -5.34 0.34 -0.01 3.54 2.12 -1.26 -2.57 118.70 115.53 1kvb s GLU 32 Ca 0.61 -0.07 0.02 0.00 0.36 0.00 0.00 54.97 55.89 1kvb s GLU 32 Cb -0.13 -0.39 -0.01 0.00 0.26 0.00 0.00 34.13 33.87 1kvb s GLU 32 CO 0.52 0.00 -0.08 0.15 -0.54 0.00 0.00 175.26 175.31 1kvb s LYS 33 N 0.31 0.66 -0.06 4.30 1.02 0.29 -4.99 119.74 121.27 1kvb s LYS 33 Ca -0.03 -0.29 0.05 0.00 0.02 0.00 0.00 55.97 55.72 1kvb s LYS 33 Cb -0.06 -0.64 -0.01 0.00 -0.52 0.00 0.00 37.83 36.60 1kvb s LYS 33 CO -0.01 0.17 -0.23 0.99 -0.92 0.00 0.00 175.35 175.36 1kvb s THR 34 N -0.19 2.28 -0.07 2.17 2.01 -1.26 -1.04 115.64 119.54 1kvb s THR 34 Ca 0.03 -0.99 0.05 0.00 0.31 0.00 0.00 61.69 61.09 1kvb s THR 34 Cb -0.03 -1.85 -0.00 0.00 0.01 0.00 0.00 72.50 70.63 1kvb s THR 34 CO -0.00 0.57 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.92 1kvb s PHE 35 N -0.17 2.18 -0.17 4.92 0.08 -0.10 -5.01 117.98 119.71 1kvb s PHE 35 Ca -0.03 -0.74 -0.25 0.00 0.12 0.00 0.00 56.93 56.03 1kvb s PHE 35 Cb -0.14 -1.46 0.06 0.00 -0.57 0.00 0.00 43.02 40.92 1kvb s PHE 35 CO 0.04 -0.27 0.64 0.45 -0.10 0.00 0.00 175.22 175.97 1kvb s SER 36 N 0.14 -0.64 -0.06 1.36 0.15 -1.26 -0.47 113.70 112.92 1kvb s SER 36 Ca -0.10 1.06 -0.29 0.00 0.70 0.00 0.00 55.95 57.32 1kvb s SER 36 Cb -0.15 1.03 0.10 0.00 -1.71 0.00 0.00 66.02 65.29 1kvb s SER 36 CO 0.05 -0.36 0.85 0.00 1.20 0.00 0.00 173.24 174.98 1kvb s ALA 37 N -0.23 -1.83 -0.00 5.45 0.00 -1.20 -4.99 121.76 118.96 1kvb s ALA 37 Ca -0.04 1.25 0.08 0.00 0.00 0.00 0.00 51.96 53.25 1kvb s ALA 37 Cb -0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1kvb s ALA 37 CO 0.04 -0.47 -0.24 0.20 0.00 0.00 0.00 175.76 175.28 1kvb s GLY 38 N -1.67 1.22 -0.07 0.00 0.00 -1.26 -2.07 107.32 103.46 1kvb s GLY 38 Ca -0.02 -1.08 0.02 0.00 0.00 0.00 0.00 44.72 43.63 1kvb s GLY 38 CO -0.01 -0.93 -0.10 -0.19 0.00 0.00 0.00 173.10 171.87 1kvb s TYR 39 N -0.63 2.84 0.17 1.90 1.51 -0.66 -0.29 117.35 122.20 1kvb s TYR 39 Ca 0.10 -0.14 -0.06 0.00 -1.01 0.00 0.00 57.07 55.96 1kvb s TYR 39 Cb -0.09 -1.71 0.06 0.00 -0.11 0.00 0.00 41.96 40.11 1kvb s TYR 39 CO -0.00 0.19 1.49 1.79 -1.11 0.00 0.00 175.55 177.91 1kvb h THR 40 N 4.47 1.30 -2.58 -0.71 1.35 -1.58 -1.45 112.91 113.71 1kvb h THR 40 Ca -0.44 -1.73 -0.29 0.00 -0.55 0.00 0.00 66.41 63.40 1kvb h THR 40 Cb 1.17 1.67 -0.35 0.00 -1.73 0.00 0.00 68.15 68.91 1kvb h THR 40 CO 0.53 0.55 -0.60 -0.60 -0.25 0.00 0.00 175.52 175.14 1kvb s ARG 41 N -4.10 0.18 0.00 4.72 3.52 -1.26 -3.08 118.95 118.93 1kvb s ARG 41 Ca -0.09 0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.85 1kvb s ARG 41 Cb 0.11 -0.90 0.00 0.00 -1.56 0.00 0.00 34.95 32.60 1kvb s ARG 41 CO 0.86 -0.57 0.00 -2.37 -0.81 0.00 0.00 175.30 172.41 1kvb n THR 42 N 5.33 0.00 -4.37 4.11 5.66 -0.70 -4.18 114.28 120.13 1kvb n THR 42 Ca -0.05 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.76 1kvb n THR 42 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.17 1kvb n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1kvb s THR 43 N -3.00 0.91 0.07 1.09 -4.23 -1.26 -0.67 115.64 108.56 1kvb s THR 43 Ca 0.00 -2.01 -0.21 0.00 -1.18 0.00 0.00 61.69 58.29 1kvb s THR 43 Cb 0.00 -2.61 -0.12 0.00 1.34 0.00 0.00 72.50 71.11 1kvb s THR 43 CO 0.00 -0.09 1.58 -1.13 -0.54 0.00 0.00 174.62 174.43 1kvb h ASN 44 N 2.31 0.21 -0.67 3.99 -1.24 -1.88 -2.48 115.58 115.81 1kvb h ASN 44 Ca -0.39 -0.21 0.10 0.00 0.71 0.00 0.00 56.30 56.51 1kvb h ASN 44 Cb 1.24 -0.05 -0.07 0.00 0.73 0.00 0.00 38.32 40.16 1kvb h ASN 44 CO 0.65 0.36 0.30 0.78 -1.29 0.00 0.00 177.43 178.23 1kvb h ASN 45 N 0.04 0.35 -0.67 1.15 -0.26 -1.98 -0.98 115.58 113.24 1kvb h ASN 45 Ca 0.04 0.07 -0.07 0.00 -0.56 0.00 0.00 56.30 55.78 1kvb h ASN 45 Cb 0.23 0.02 -0.03 0.00 -1.06 0.00 0.00 38.32 37.48 1kvb h ASN 45 CO -0.00 0.20 0.14 0.03 -1.06 0.00 0.00 177.43 176.74 1kvb h ARG 46 N 0.51 1.09 -0.02 0.81 3.08 -1.95 -2.15 114.38 115.75 1kvb h ARG 46 Ca 0.34 -0.27 -0.13 0.00 0.07 0.00 0.00 59.98 59.99 1kvb h ARG 46 Cb 0.40 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1kvb h ARG 46 CO -0.30 0.98 -0.60 0.52 -1.07 0.00 0.00 179.97 179.50 1kvb h MET 47 N 1.03 0.06 -0.17 0.04 2.86 -0.98 0.28 114.93 118.05 1kvb h MET 47 Ca 0.21 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.66 1kvb h MET 47 Cb 0.40 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1kvb h MET 47 CO 0.01 0.64 -0.54 0.93 1.06 0.00 0.00 176.91 179.01 1kvb h GLU 48 N 0.04 0.51 0.18 1.72 5.08 -0.96 -2.18 114.58 118.97 1kvb h GLU 48 Ca -0.01 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1kvb h GLU 48 Cb 1.08 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1kvb h GLU 48 CO 0.08 0.92 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.86 1kvb h LEU 49 N 0.39 -0.20 -0.91 1.33 3.38 -1.19 -3.28 115.31 114.83 1kvb h LEU 49 Ca 0.01 -0.33 0.25 0.00 0.09 0.00 0.00 57.88 57.90 1kvb h LEU 49 Cb 1.07 0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.73 1kvb h LEU 49 CO 0.10 0.33 0.27 0.24 0.09 0.00 0.00 178.44 179.47 1kvb h MET 50 N -0.85 0.19 0.18 1.13 2.86 -0.93 -1.86 114.93 115.64 1kvb h MET 50 Ca -0.02 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1kvb h MET 50 Cb 0.52 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 1kvb h MET 50 CO 0.04 0.13 -0.51 0.00 1.06 0.00 0.00 176.91 177.63 1kvb h ALA 51 N 1.81 -0.98 -0.83 6.32 0.00 -1.46 0.14 119.26 124.27 1kvb h ALA 51 Ca 0.59 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.42 1kvb h ALA 51 Cb 1.23 0.85 -0.05 0.00 0.00 0.00 0.00 17.79 19.82 1kvb h ALA 51 CO -0.68 -1.12 0.53 0.00 0.00 0.00 0.00 179.25 177.99 1kvb h ALA 52 N -0.52 1.10 0.12 0.00 0.00 -1.46 -2.76 119.26 115.74 1kvb h ALA 52 Ca -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1kvb h ALA 52 Cb 0.77 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1kvb h ALA 52 CO -0.25 0.35 -0.08 0.82 0.00 0.00 0.00 179.25 180.09 1kvb h ILE 53 N 1.03 0.83 -0.01 0.00 2.04 -0.77 -0.86 117.51 119.77 1kvb h ILE 53 Ca 0.33 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.21 1kvb h ILE 53 Cb 0.02 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1kvb h ILE 53 CO -0.12 0.00 -0.08 0.58 0.00 0.00 0.00 178.15 178.53 1kvb h VAL 54 N -0.20 0.78 -0.02 1.67 2.07 -0.56 0.72 116.25 120.71 1kvb h VAL 54 Ca -0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.54 1kvb h VAL 54 Cb 0.17 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1kvb h VAL 54 CO 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.45 1kvb h ALA 55 N 0.86 -0.15 -0.59 1.67 0.00 -1.49 -2.32 119.26 117.24 1kvb h ALA 55 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1kvb h ALA 55 Cb 0.19 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1kvb h ALA 55 CO -0.10 -0.63 0.34 -0.07 0.00 0.00 0.00 179.25 178.80 1kvb h LEU 56 N -0.23 0.72 -2.22 0.00 3.38 -0.92 -2.46 115.31 113.58 1kvb h LEU 56 Ca 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1kvb h LEU 56 Cb 0.31 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1kvb h LEU 56 CO -0.16 0.58 -0.03 -0.33 0.09 0.00 0.00 178.44 178.59 1kvb h GLU 57 N 0.80 0.00 0.00 1.13 5.08 -0.64 -1.89 114.58 119.05 1kvb h GLU 57 Ca 0.21 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1kvb h GLU 57 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1kvb h GLU 57 CO -0.04 0.03 -0.05 0.00 -1.00 0.00 0.00 179.01 177.96 1kvb h ALA 58 N 1.97 1.24 -2.27 3.43 0.00 -0.92 -3.41 119.26 119.31 1kvb h ALA 58 Ca -0.00 -0.05 -0.60 0.00 0.00 0.00 0.00 54.91 54.27 1kvb h ALA 58 Cb 0.08 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.77 1kvb h ALA 58 CO 0.00 0.06 0.45 -0.51 0.00 0.00 0.00 179.25 179.25 1kvb s LEU 59 N -6.99 4.07 0.00 0.00 1.43 -0.71 -4.90 118.68 111.58 1kvb s LEU 59 Ca -0.03 0.89 0.20 0.00 -1.03 0.00 0.00 54.13 54.16 1kvb s LEU 59 Cb 0.13 -3.15 -0.09 0.00 0.03 0.00 0.00 46.19 43.11 1kvb s LEU 59 CO 0.53 -0.56 0.93 0.29 0.23 0.00 0.00 176.35 177.77 1kvb n LYS 60 N 6.10 1.11 -4.60 1.70 5.02 -1.26 -4.92 118.16 121.30 1kvb n LYS 60 Ca 0.05 -0.56 -0.34 0.00 -2.02 0.00 0.00 58.31 55.44 1kvb n LYS 60 Cb 0.48 -1.40 -0.11 0.00 -0.02 0.00 0.00 35.03 33.97 1kvb n LYS 60 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1kvb s GLU 61 N -2.49 2.90 0.01 1.97 2.02 -1.26 -5.06 118.70 116.79 1kvb s GLU 61 Ca 0.13 -0.55 -0.30 0.00 0.02 0.00 0.00 54.97 54.27 1kvb s GLU 61 Cb 0.16 -2.63 -0.08 0.00 0.10 0.00 0.00 34.13 31.67 1kvb s GLU 61 CO 0.62 0.59 1.87 -1.01 0.02 0.00 0.00 175.26 177.35 1kvb s HIS 62 N -0.61 1.51 0.38 1.61 3.76 -1.26 -4.93 115.29 115.74 1kvb s HIS 62 Ca 0.09 -0.26 0.05 0.00 -0.15 0.00 0.00 55.06 54.79 1kvb s HIS 62 Cb -0.12 -4.15 -0.06 0.00 1.11 0.00 0.00 32.58 29.37 1kvb s HIS 62 CO 0.02 -5.05 0.05 0.00 -0.85 0.00 0.00 174.74 168.90 1kvb s GLU 64 N -3.82 2.78 0.02 0.00 2.02 -1.21 -0.84 118.70 117.65 1kvb s GLU 64 Ca 0.32 -1.46 0.01 0.00 0.02 0.00 0.00 54.97 53.86 1kvb s GLU 64 Cb 0.08 -3.99 -0.04 0.00 0.10 0.00 0.00 34.13 30.29 1kvb s GLU 64 CO 0.15 -1.04 0.08 0.08 0.02 0.00 0.00 175.26 174.55 1kvb s VAL 65 N 1.53 4.66 -0.27 2.63 1.01 -0.21 0.25 120.40 129.99 1kvb s VAL 65 Ca 0.04 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 1kvb s VAL 65 Cb -0.24 -3.16 0.08 0.00 0.00 0.00 0.00 36.38 33.06 1kvb s VAL 65 CO 0.04 0.29 0.05 -0.51 0.00 0.00 0.00 175.10 174.97 1kvb s ILE 66 N -1.25 1.02 -0.21 2.22 2.07 0.77 -1.42 121.20 124.41 1kvb s ILE 66 Ca 0.25 -1.25 -0.06 0.00 -1.41 0.00 0.00 60.65 58.18 1kvb s ILE 66 Cb -0.12 -1.62 -0.03 0.00 0.13 0.00 0.00 42.46 40.82 1kvb s ILE 66 CO 0.16 -0.46 0.02 -0.22 -1.91 0.00 0.00 174.94 172.53 1kvb s LEU 67 N 1.58 3.35 -0.20 8.50 0.20 -0.57 0.54 118.68 132.08 1kvb s LEU 67 Ca 0.05 -0.17 -0.04 0.00 0.69 0.00 0.00 54.13 54.66 1kvb s LEU 67 Cb -0.18 -1.86 -0.02 0.00 -0.43 0.00 0.00 46.19 43.71 1kvb s LEU 67 CO -0.17 0.06 -0.04 -0.55 -0.29 0.00 0.00 176.35 175.36 1kvb s SER 68 N 1.04 4.45 -0.04 3.68 0.15 0.63 -1.16 113.70 122.44 1kvb s SER 68 Ca 0.02 -0.31 -0.28 0.00 0.70 0.00 0.00 55.95 56.09 1kvb s SER 68 Cb -0.14 -1.75 0.06 0.00 -1.71 0.00 0.00 66.02 62.48 1kvb s SER 68 CO 0.02 0.05 0.61 0.28 1.20 0.00 0.00 173.24 175.39 1kvb s THR 69 N 1.09 0.01 -2.79 6.45 -1.32 -1.01 -2.36 115.64 115.71 1kvb s THR 69 Ca 0.01 -0.10 0.23 0.00 -1.21 0.00 0.00 61.69 60.62 1kvb s THR 69 Cb -0.15 -0.93 0.17 0.00 -1.51 0.00 0.00 72.50 70.09 1kvb s THR 69 CO -0.00 -0.05 1.21 -0.90 -2.21 0.00 0.00 174.62 172.67 1kvb n ASP 70 N 0.95 2.84 -4.69 8.08 5.68 -1.26 -1.77 116.55 126.38 1kvb n ASP 70 Ca -0.19 -1.92 -0.42 0.00 -0.50 0.00 0.00 54.79 51.75 1kvb n ASP 70 Cb 0.57 0.03 -0.03 0.00 -1.14 0.00 0.00 41.12 40.55 1kvb n ASP 70 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1kvb s SER 71 N -1.92 6.56 0.19 -1.12 0.15 -1.26 -4.83 113.70 111.47 1kvb s SER 71 Ca 0.26 2.56 -0.05 0.00 0.70 0.00 0.00 55.95 59.42 1kvb s SER 71 Cb 0.19 -2.57 0.13 0.00 -1.71 0.00 0.00 66.02 62.06 1kvb s SER 71 CO 0.30 -0.91 1.56 -0.61 1.20 0.00 0.00 173.24 174.77 1kvb h GLN 72 N 8.31 0.71 -0.15 5.44 4.15 -1.95 -2.39 115.11 129.23 1kvb h GLN 72 Ca -0.43 -0.36 0.04 0.00 0.77 0.00 0.00 58.65 58.67 1kvb h GLN 72 Cb 1.21 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.86 1kvb h GLN 72 CO 0.93 0.97 -0.11 -0.92 -1.93 0.00 0.00 178.83 177.77 1kvb h TYR 73 N 0.59 -0.27 -0.29 3.99 3.20 -1.99 0.57 116.97 122.76 1kvb h TYR 73 Ca 0.05 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 1kvb h TYR 73 Cb 0.91 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 1kvb h TYR 73 CO 0.05 -0.17 -0.10 0.28 -1.64 0.00 0.00 178.16 176.58 1kvb h VAL 74 N -0.12 1.29 -0.08 1.81 2.07 -1.93 -2.26 116.25 117.03 1kvb h VAL 74 Ca 0.09 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.50 1kvb h VAL 74 Cb 0.26 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1kvb h VAL 74 CO -0.23 0.37 -0.27 -0.09 0.02 0.00 0.00 177.57 177.37 1kvb h ARG 75 N 0.34 -0.36 -0.73 1.57 2.43 -0.93 -1.17 114.38 115.54 1kvb h ARG 75 Ca 0.07 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1kvb h ARG 75 Cb 0.60 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 30.19 1kvb h ARG 75 CO 0.03 -0.24 0.46 1.96 -1.51 0.00 0.00 179.97 180.68 1kvb h GLN 76 N -0.37 0.97 -0.67 0.20 4.20 0.19 -0.78 115.11 118.84 1kvb h GLN 76 Ca 0.09 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1kvb h GLN 76 Cb 0.50 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1kvb h GLN 76 CO -0.29 0.66 0.26 0.78 -0.67 0.00 0.00 178.83 179.57 1kvb h GLY 77 N 0.99 1.07 0.59 3.46 0.00 -0.95 0.73 103.07 108.96 1kvb h GLY 77 Ca 0.26 -0.57 -0.13 0.00 0.00 0.00 0.00 47.33 46.89 1kvb h GLY 77 CO -0.05 0.54 -0.57 -2.22 0.00 0.00 0.00 176.54 174.24 1kvb h ILE 78 N 0.98 1.53 0.00 2.60 1.08 -0.99 -1.34 117.51 121.37 1kvb h ILE 78 Ca 0.23 -2.30 -0.21 0.00 -0.39 0.00 0.00 64.86 62.19 1kvb h ILE 78 Cb 0.20 3.00 -0.03 0.00 -3.07 0.00 0.00 36.82 36.92 1kvb h ILE 78 CO -0.02 0.64 -1.03 0.71 -0.69 0.00 0.00 178.15 177.77 1kvb h THR 79 N -0.40 1.61 0.00 -0.27 1.35 -1.17 -3.45 112.91 110.58 1kvb h THR 79 Ca -0.09 -3.31 0.00 0.00 -0.55 0.00 0.00 66.41 62.46 1kvb h THR 79 Cb 1.37 2.80 0.00 0.00 -1.73 0.00 0.00 68.15 70.59 1kvb h THR 79 CO 0.11 0.92 -0.63 0.00 -0.25 0.00 0.00 175.52 175.66 1kvb n GLN 80 N -3.32 0.00 -0.02 4.72 6.02 0.16 -5.01 117.38 119.93 1kvb n GLN 80 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.85 1kvb n GLN 80 Cb 0.94 -0.49 -0.10 0.00 1.02 0.00 0.00 30.24 31.61 1kvb n GLN 80 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 1kvb h TRP 81 N 0.00 -0.04 -0.92 1.08 6.55 -1.32 -3.40 115.95 117.90 1kvb h TRP 81 Ca 0.00 -0.00 0.10 0.00 0.95 0.00 0.00 58.89 59.94 1kvb h TRP 81 Cb 0.63 0.01 -0.08 0.00 -0.86 0.00 0.00 29.16 28.87 1kvb h TRP 81 CO 0.00 0.57 0.56 0.97 -1.05 0.00 0.00 178.44 179.49 1kvb h ILE 82 N -0.69 0.93 -0.08 1.49 2.10 -1.52 0.05 117.51 119.79 1kvb h ILE 82 Ca -0.00 -0.32 -0.18 0.00 1.08 0.00 0.00 64.86 65.44 1kvb h ILE 82 Cb 0.63 -0.07 -0.00 0.00 -1.09 0.00 0.00 36.82 36.28 1kvb h ILE 82 CO 0.01 0.17 -0.73 1.12 -1.08 0.00 0.00 178.15 177.64 1kvb h HIS 83 N 0.92 0.56 -0.10 2.19 2.07 -1.83 -1.48 115.15 117.48 1kvb h HIS 83 Ca 0.44 -0.25 -0.11 0.00 -2.85 0.00 0.00 60.37 57.60 1kvb h HIS 83 Cb 0.39 -0.09 -0.01 0.00 2.57 0.00 0.00 27.41 30.27 1kvb h HIS 83 CO -0.03 1.00 -0.44 -0.91 -3.07 0.00 0.00 177.93 174.48 1kvb h ASN 84 N 0.29 0.24 -0.12 3.10 2.35 -1.71 -2.69 115.58 117.03 1kvb h ASN 84 Ca -0.03 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.56 1kvb h ASN 84 Cb 1.30 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.60 1kvb h ASN 84 CO 0.13 0.65 -0.14 -0.50 -1.65 0.00 0.00 177.43 175.92 1kvb h TRP 85 N 0.18 0.37 -0.60 1.19 6.55 -0.77 -3.06 115.95 119.81 1kvb h TRP 85 Ca 0.01 -0.12 0.08 0.00 0.95 0.00 0.00 58.89 59.82 1kvb h TRP 85 Cb 0.86 -0.08 -0.06 0.00 -0.86 0.00 0.00 29.16 29.02 1kvb h TRP 85 CO 0.01 0.73 0.26 0.87 -1.05 0.00 0.00 178.44 179.26 1kvb h LYS 86 N -0.10 0.45 -0.14 0.49 1.57 -1.13 0.59 116.57 118.31 1kvb h LYS 86 Ca 0.02 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1kvb h LYS 86 Cb 0.67 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1kvb h LYS 86 CO 0.03 0.30 0.11 0.87 -0.57 0.00 0.00 179.45 180.19 1kvb h LYS 87 N 0.47 0.00 -0.52 3.15 1.57 -1.52 -1.26 116.57 118.46 1kvb h LYS 87 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1kvb h LYS 87 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1kvb h LYS 87 CO -0.26 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.16 1kvb n ARG 88 N -4.33 3.51 -2.19 3.15 1.74 -0.52 -4.93 116.66 113.09 1kvb n ARG 88 Ca 0.00 -2.76 -0.16 0.00 -0.77 0.00 0.00 57.85 54.16 1kvb n ARG 88 Cb 0.23 -1.80 -0.02 0.00 -1.02 0.00 0.00 32.46 29.85 1kvb n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kvb n GLY 89 N 0.67 -0.02 3.09 -0.13 0.00 -0.48 -3.32 105.19 105.00 1kvb n GLY 89 Ca 0.23 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 1kvb n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1kvb n TRP 90 N -3.79 -2.15 -4.22 1.61 7.02 0.20 -5.00 117.44 111.11 1kvb n TRP 90 Ca -0.19 0.78 -0.18 0.00 -1.02 0.00 0.00 57.50 56.90 1kvb n TRP 90 Cb 0.63 -4.22 -0.13 0.00 -2.42 0.00 0.00 31.31 25.18 1kvb n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1kvb s LYS 91 N -5.83 0.77 0.08 -0.99 1.02 -1.21 -2.38 119.74 111.21 1kvb s LYS 91 Ca 0.36 -0.78 -0.01 0.00 0.02 0.00 0.00 55.97 55.56 1kvb s LYS 91 Cb -0.16 -0.73 0.02 0.00 -0.52 0.00 0.00 37.83 36.44 1kvb s LYS 91 CO 0.57 0.17 0.11 0.25 -0.92 0.00 0.00 175.35 175.53 1kvb n THR 92 N 1.68 0.00 0.03 2.17 -2.24 0.92 -4.83 114.28 112.02 1kvb n THR 92 Ca -0.20 -0.09 0.02 0.00 -2.27 0.00 0.00 64.05 61.52 1kvb n THR 92 Cb 0.55 -1.93 0.38 0.00 -2.10 0.00 0.00 70.33 67.22 1kvb n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kvb h ALA 93 N -1.92 1.56 -0.75 6.98 0.00 -2.00 -2.51 119.26 120.62 1kvb h ALA 93 Ca -0.04 -0.12 -0.42 0.00 0.00 0.00 0.00 54.91 54.34 1kvb h ALA 93 Cb 0.10 -0.14 -0.23 0.00 0.00 0.00 0.00 17.79 17.52 1kvb h ALA 93 CO 0.03 0.34 0.53 -0.40 0.00 0.00 0.00 179.25 179.74 1kvb n ASP 94 N -4.37 4.30 -1.90 0.00 5.68 -1.26 -4.90 116.55 114.10 1kvb n ASP 94 Ca 0.02 -3.26 -0.16 0.00 -0.50 0.00 0.00 54.79 50.88 1kvb n ASP 94 Cb 0.17 -0.81 -0.04 0.00 -1.14 0.00 0.00 41.12 39.29 1kvb n ASP 94 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1kvb n LYS 95 N -0.65 -1.63 -3.90 0.11 4.76 -0.94 -4.99 118.16 110.90 1kvb n LYS 95 Ca 0.46 0.89 -0.28 0.00 -2.87 0.00 0.00 58.31 56.50 1kvb n LYS 95 Cb 1.23 -5.34 -0.03 0.00 -1.84 0.00 0.00 35.03 29.05 1kvb n LYS 95 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1kvb s LYS 96 N -4.12 3.45 0.30 1.97 1.02 -1.26 -4.84 119.74 116.26 1kvb s LYS 96 Ca 0.00 -0.50 -0.30 0.00 0.02 0.00 0.00 55.97 55.20 1kvb s LYS 96 Cb 0.00 -2.98 -0.11 0.00 -0.52 0.00 0.00 37.83 34.22 1kvb s LYS 96 CO 0.00 0.54 1.54 -2.14 -0.92 0.00 0.00 175.35 174.37 1kvb s PRO 97 N -2.95 4.15 0.58 -1.68 0.02 -1.26 -0.05 135.00 133.81 1kvb s PRO 97 Ca 0.35 2.51 -0.20 0.00 0.02 0.00 0.00 61.00 63.69 1kvb s PRO 97 Cb -0.12 -3.03 -0.05 0.00 0.02 0.00 0.00 34.50 31.32 1kvb s PRO 97 CO 0.28 -0.56 1.13 1.33 -0.33 0.00 0.00 177.00 178.85 1kvb n VAL 98 N 1.89 3.89 -1.90 3.83 0.24 -1.00 -4.72 118.33 120.55 1kvb n VAL 98 Ca 0.06 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.45 1kvb n VAL 98 Cb 0.38 -1.34 -0.02 0.00 -1.47 0.00 0.00 33.84 31.39 1kvb n VAL 98 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1kvb s LYS 99 N -2.85 4.20 -1.10 7.34 2.20 -1.26 -2.29 119.74 125.97 1kvb s LYS 99 Ca 0.75 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.78 1kvb s LYS 99 Cb -0.42 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 1kvb s LYS 99 CO 0.47 -0.55 0.00 0.09 -0.36 0.00 0.00 175.35 175.00 1kvb n ASN 100 N 2.80 -4.03 -0.24 1.43 3.02 -1.26 -4.91 115.26 112.07 1kvb n ASN 100 Ca 0.10 0.01 0.13 0.00 -0.03 0.00 0.00 54.58 54.78 1kvb n ASN 100 Cb 0.39 -3.19 0.42 0.00 -0.61 0.00 0.00 39.78 36.78 1kvb n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1kvb h VAL 101 N 0.00 0.83 -0.63 2.41 3.04 -1.81 -0.62 116.25 119.46 1kvb h VAL 101 Ca -0.30 -0.21 0.12 0.00 -1.01 0.00 0.00 66.70 65.30 1kvb h VAL 101 Cb 1.20 0.16 -0.09 0.00 -2.01 0.00 0.00 31.29 30.55 1kvb h VAL 101 CO 0.36 0.11 0.13 -2.24 -1.01 0.00 0.00 177.57 174.92 1kvb h ASP 102 N 0.61 -0.01 0.09 3.17 2.03 -1.91 -1.93 116.42 118.47 1kvb h ASP 102 Ca 0.42 0.12 -0.26 0.00 -0.73 0.00 0.00 57.03 56.58 1kvb h ASP 102 Cb 0.75 0.17 0.03 0.00 -0.83 0.00 0.00 39.33 39.45 1kvb h ASP 102 CO -0.18 -0.01 -1.08 -0.07 -1.03 0.00 0.00 179.24 176.87 1kvb h LEU 103 N 0.25 0.79 -1.16 0.15 3.38 -1.56 -2.96 115.31 114.21 1kvb h LEU 103 Ca 0.34 -0.82 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 1kvb h LEU 103 Cb 0.52 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1kvb h LEU 103 CO -0.43 1.53 -0.03 -0.50 0.09 0.00 0.00 178.44 179.09 1kvb h TRP 104 N 0.16 0.57 -0.31 1.13 4.06 -1.00 -1.32 115.95 119.24 1kvb h TRP 104 Ca -0.16 -0.07 -0.15 0.00 2.06 0.00 0.00 58.89 60.57 1kvb h TRP 104 Cb 1.77 -0.16 -0.00 0.00 -1.00 0.00 0.00 29.16 29.77 1kvb h TRP 104 CO 0.13 0.58 -0.39 1.96 -3.56 0.00 0.00 178.44 177.16 1kvb h GLN 105 N 0.52 0.81 0.00 0.49 4.20 -1.46 0.74 115.11 120.42 1kvb h GLN 105 Ca 0.11 -0.46 -0.07 0.00 0.06 0.00 0.00 58.65 58.29 1kvb h GLN 105 Cb 0.38 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1kvb h GLN 105 CO 0.02 1.09 -0.32 0.00 -0.67 0.00 0.00 178.83 178.95 1kvb h ARG 106 N 0.59 0.00 0.19 1.46 3.08 -1.31 0.27 114.38 118.66 1kvb h ARG 106 Ca 0.04 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.77 1kvb h ARG 106 Cb 0.98 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.05 1kvb h ARG 106 CO 0.09 0.32 -1.51 1.25 -1.07 0.00 0.00 179.97 179.05 1kvb h LEU 107 N 0.00 0.63 -0.69 3.04 5.85 -1.00 -3.19 115.31 119.95 1kvb h LEU 107 Ca -0.00 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 57.96 1kvb h LEU 107 Cb 0.60 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1kvb h LEU 107 CO 0.04 1.61 0.45 -0.78 -0.34 0.00 0.00 178.44 179.42 1kvb h ASP 108 N 0.11 0.80 0.01 1.25 3.58 -0.31 -0.86 116.42 120.99 1kvb h ASP 108 Ca -0.25 -0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.20 1kvb h ASP 108 Cb 2.09 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 42.90 1kvb h ASP 108 CO 0.22 0.59 -0.23 0.00 -2.88 0.00 0.00 179.24 176.94 1kvb h ALA 109 N 1.24 -0.30 -0.20 -0.78 0.00 -1.04 -2.75 119.26 115.43 1kvb h ALA 109 Ca 0.25 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1kvb h ALA 109 Cb -0.09 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1kvb h ALA 109 CO -0.05 -0.73 -0.26 0.00 0.00 0.00 0.00 179.25 178.21 1kvb h ALA 110 N 0.49 1.19 -0.92 0.00 0.00 -1.49 -3.01 119.26 115.52 1kvb h ALA 110 Ca 0.06 -0.33 0.12 0.00 0.00 0.00 0.00 54.91 54.76 1kvb h ALA 110 Cb 0.44 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 1kvb h ALA 110 CO -0.20 0.53 0.59 -0.07 0.00 0.00 0.00 179.25 180.09 1kvb h LEU 111 N 0.33 0.76 -1.30 0.00 3.38 -0.87 -2.48 115.31 115.14 1kvb h LEU 111 Ca 0.05 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1kvb h LEU 111 Cb 0.64 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1kvb h LEU 111 CO 0.05 0.41 0.00 1.23 0.09 0.00 0.00 178.44 180.22 1kvb h GLY 112 N 0.82 0.00 1.67 0.83 0.00 -1.37 -3.24 103.07 101.78 1kvb h GLY 112 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.78 1kvb h GLY 112 CO -0.21 0.00 -0.16 -1.06 0.00 0.00 0.00 176.54 175.10 1kvb n GLN 113 N -3.09 0.00 -4.22 4.80 1.13 -0.93 -4.97 117.38 110.10 1kvb n GLN 113 Ca 0.01 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.95 1kvb n GLN 113 Cb 0.33 -1.50 -0.10 0.00 0.11 0.00 0.00 30.24 29.08 1kvb n GLN 113 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1kvb s HIS 114 N -3.00 1.15 -0.78 1.08 3.76 -1.22 -4.26 115.29 112.00 1kvb s HIS 114 Ca 0.13 -1.16 -0.16 0.00 -0.15 0.00 0.00 55.06 53.72 1kvb s HIS 114 Cb 0.18 -0.64 0.18 0.00 1.11 0.00 0.00 32.58 33.41 1kvb s HIS 114 CO 0.59 -0.39 0.79 -0.65 -0.85 0.00 0.00 174.74 174.23 1kvb s GLN 115 N -4.01 3.46 -0.08 1.40 -0.21 -0.02 -4.99 119.66 115.22 1kvb s GLN 115 Ca 0.28 -2.12 -0.13 0.00 0.02 0.00 0.00 55.36 53.42 1kvb s GLN 115 Cb 0.07 -4.48 -0.05 0.00 1.00 0.00 0.00 33.01 29.55 1kvb s GLN 115 CO 0.06 -1.41 0.32 0.42 -2.12 0.00 0.00 175.29 172.56 1kvb s ILE 116 N 1.07 5.22 -0.16 1.08 1.01 -1.26 -1.05 121.20 127.12 1kvb s ILE 116 Ca 0.18 0.62 0.01 0.00 0.00 0.00 0.00 60.65 61.46 1kvb s ILE 116 Cb -0.13 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.72 1kvb s ILE 116 CO -0.06 0.52 -0.17 -0.75 0.00 0.00 0.00 174.94 174.48 1kvb s LYS 117 N -0.51 3.15 -0.24 2.79 2.20 -0.51 -4.98 119.74 121.64 1kvb s LYS 117 Ca 0.20 -0.78 -0.08 0.00 -0.36 0.00 0.00 55.97 54.95 1kvb s LYS 117 Cb -0.14 -2.60 -0.04 0.00 -1.51 0.00 0.00 37.83 33.54 1kvb s LYS 117 CO 0.08 -0.04 0.10 -1.58 -0.36 0.00 0.00 175.35 173.55 1kvb s TRP 118 N 0.93 3.16 -0.52 4.03 0.52 -1.26 -1.51 118.94 124.30 1kvb s TRP 118 Ca -0.03 -0.15 -0.14 0.00 0.02 0.00 0.00 56.10 55.79 1kvb s TRP 118 Cb -0.15 -2.24 0.12 0.00 -1.15 0.00 0.00 33.47 30.06 1kvb s TRP 118 CO -0.03 -0.18 0.45 -2.00 0.02 0.00 0.00 176.95 175.21 1kvb s GLU 119 N 1.34 2.83 -0.64 4.98 2.12 -0.31 -5.00 118.70 124.02 1kvb s GLU 119 Ca 0.06 -1.71 -0.27 0.00 0.36 0.00 0.00 54.97 53.40 1kvb s GLU 119 Cb -0.15 -4.18 0.02 0.00 0.26 0.00 0.00 34.13 30.09 1kvb s GLU 119 CO 0.05 -1.28 1.40 -1.58 -0.54 0.00 0.00 175.26 173.31 1kvb s TRP 120 N 1.53 2.23 0.24 5.30 0.23 -1.26 -2.42 118.94 124.79 1kvb s TRP 120 Ca 0.04 0.31 -0.27 0.00 -2.03 0.00 0.00 56.10 54.15 1kvb s TRP 120 Cb -0.29 -4.46 -0.09 0.00 0.03 0.00 0.00 33.47 28.67 1kvb s TRP 120 CO 0.02 -2.02 0.88 0.14 0.96 0.00 0.00 176.95 176.93 1kvb s VAL 121 N 6.23 4.22 -0.01 4.03 -7.23 -0.73 -4.98 120.40 121.93 1kvb s VAL 121 Ca 0.47 1.86 -0.03 0.00 -1.81 0.00 0.00 61.98 62.46 1kvb s VAL 121 Cb -0.10 -4.16 -0.02 0.00 0.56 0.00 0.00 36.38 32.66 1kvb s VAL 121 CO 0.21 0.39 0.49 0.07 -0.31 0.00 0.00 175.10 175.94 1kvb h LYS 122 N 3.88 -0.12 0.00 4.82 2.10 -1.91 -3.37 116.57 121.96 1kvb h LYS 122 Ca -0.46 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1kvb h LYS 122 Cb 1.20 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1kvb h LYS 122 CO 0.66 -0.08 0.00 0.41 -2.00 0.00 0.00 179.45 178.44 1kvb n GLY 123 N 0.61 -1.52 4.85 0.07 0.00 -1.26 -4.96 105.19 102.97 1kvb n GLY 123 Ca -0.02 0.98 0.00 0.00 0.00 0.00 0.00 46.02 46.99 1kvb n GLY 123 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1kvb n HIS 124 N 0.00 0.00 -1.85 1.61 8.25 -1.26 -4.93 115.22 117.05 1kvb n HIS 124 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1kvb n HIS 124 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1kvb n HIS 124 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1kvb s ALA 125 N 0.00 3.62 0.00 -1.41 0.00 -1.26 -1.25 121.76 121.45 1kvb s ALA 125 Ca 0.00 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1kvb s ALA 125 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1kvb s ALA 125 CO 0.00 -1.43 0.00 0.41 0.00 0.00 0.00 175.76 174.74 1kvb n GLY 126 N 4.29 0.74 2.42 0.00 0.00 -1.26 -4.98 105.19 106.40 1kvb n GLY 126 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1kvb n GLY 126 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1kvb n HIS 127 N -2.00 2.00 -0.34 1.61 8.25 -0.38 -4.96 115.22 119.39 1kvb n HIS 127 Ca 0.00 -3.93 0.09 0.00 -0.26 0.00 0.00 57.72 53.63 1kvb n HIS 127 Cb 0.00 -0.43 0.29 0.00 1.12 0.00 0.00 29.99 30.97 1kvb n HIS 127 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1kvb h PRO 128 N 4.42 0.86 -0.27 -0.41 0.13 -1.94 -1.53 132.00 133.26 1kvb h PRO 128 Ca 0.16 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 65.16 1kvb h PRO 128 Cb 0.76 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1kvb h PRO 128 CO 0.67 0.57 -0.19 0.93 -0.23 0.00 0.00 178.00 179.74 1kvb h GLU 129 N 0.88 0.48 0.00 0.86 3.07 -1.94 -1.29 114.58 116.65 1kvb h GLU 129 Ca 0.50 -0.16 -0.16 0.00 -0.50 0.00 0.00 59.36 59.04 1kvb h GLU 129 Cb 0.62 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 1kvb h GLU 129 CO -0.27 0.66 -0.74 -0.91 -1.40 0.00 0.00 179.01 176.34 1kvb h ASN 130 N 0.44 0.00 -0.44 1.42 4.21 -1.73 -2.02 115.58 117.45 1kvb h ASN 130 Ca 0.07 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.56 1kvb h ASN 130 Cb 0.58 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.76 1kvb h ASN 130 CO 0.04 0.74 0.18 -0.33 -1.29 0.00 0.00 177.43 176.77 1kvb h GLU 131 N 0.00 0.66 -0.54 0.81 5.08 -0.73 -1.80 114.58 118.05 1kvb h GLU 131 Ca -0.01 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1kvb h GLU 131 Cb 1.52 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.64 1kvb h GLU 131 CO 0.10 0.60 0.07 -0.09 -1.00 0.00 0.00 179.01 178.69 1kvb h ARG 132 N 0.57 0.91 -0.55 2.33 2.43 -1.17 -1.34 114.38 117.55 1kvb h ARG 132 Ca 0.15 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1kvb h ARG 132 Cb 0.19 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1kvb h ARG 132 CO -0.01 0.89 0.30 0.00 -1.51 0.00 0.00 179.97 179.64 1kvb h HIS 134 N 0.77 0.87 -0.44 0.00 -0.00 -0.95 0.12 115.15 115.52 1kvb h HIS 134 Ca 0.20 -0.18 -0.09 0.00 -0.00 0.00 0.00 60.37 60.30 1kvb h HIS 134 Cb 0.02 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.20 1kvb h HIS 134 CO 0.00 0.89 -0.08 0.93 -0.00 0.00 0.00 177.93 179.68 1kvb h GLU 135 N 0.69 0.83 -0.55 5.26 5.08 -0.06 -0.25 114.58 125.58 1kvb h GLU 135 Ca 0.11 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1kvb h GLU 135 Cb 0.66 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1kvb h GLU 135 CO 0.05 0.93 0.29 -0.07 -1.00 0.00 0.00 179.01 179.20 1kvb h LEU 136 N 0.66 0.71 0.59 1.33 3.38 -0.99 -0.79 115.31 120.20 1kvb h LEU 136 Ca 0.12 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1kvb h LEU 136 Cb 0.60 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1kvb h LEU 136 CO 0.04 0.62 -0.28 0.00 0.09 0.00 0.00 178.44 178.91 1kvb h ALA 137 N 1.12 -0.79 -0.76 1.53 0.00 -0.62 -1.21 119.26 118.52 1kvb h ALA 137 Ca 0.19 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.06 1kvb h ALA 137 Cb 0.08 0.31 -0.11 0.00 0.00 0.00 0.00 17.79 18.07 1kvb h ALA 137 CO -0.03 -0.84 0.25 0.00 0.00 0.00 0.00 179.25 178.63 1kvb h ARG 138 N -0.99 0.34 -0.77 0.00 3.08 -0.96 -1.00 114.38 114.08 1kvb h ARG 138 Ca -0.08 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1kvb h ARG 138 Cb 0.66 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 1kvb h ARG 138 CO 0.13 0.23 0.29 0.00 -1.07 0.00 0.00 179.97 179.55 1kvb h ALA 139 N 1.60 1.00 -0.13 0.04 0.00 -1.05 -2.91 119.26 117.80 1kvb h ALA 139 Ca 0.43 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 1kvb h ALA 139 Cb 0.72 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1kvb h ALA 139 CO -0.47 0.64 -0.52 0.00 0.00 0.00 0.00 179.25 178.90 1kvb h ALA 140 N 1.15 0.86 0.00 0.00 0.00 0.01 -2.44 119.26 118.85 1kvb h ALA 140 Ca 0.25 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1kvb h ALA 140 Cb 0.23 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1kvb h ALA 140 CO -0.02 0.67 -0.10 0.00 0.00 0.00 0.00 179.25 179.80 1kvb h ALA 141 N 1.16 1.41 0.00 0.00 0.00 -1.16 -0.55 119.26 120.12 1kvb h ALA 141 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1kvb h ALA 141 Cb 1.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1kvb h ALA 141 CO 0.09 0.13 -0.05 0.52 0.00 0.00 0.00 179.25 179.93 1kvb h MET 142 N 0.00 0.00 -1.90 0.00 2.86 -1.24 -3.38 114.93 111.27 1kvb h MET 142 Ca -0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1kvb h MET 142 Cb 0.26 0.00 -0.38 0.00 0.06 0.00 0.00 31.60 31.54 1kvb h MET 142 CO 0.01 0.00 -1.09 0.09 1.06 0.00 0.00 176.91 176.98 1kvb n ASN 143 N -2.47 0.10 -4.74 1.22 3.02 -0.24 -5.11 115.26 107.04 1kvb n ASN 143 Ca 0.05 -2.76 -0.41 0.00 -0.03 0.00 0.00 54.58 51.42 1kvb n ASN 143 Cb 0.46 -0.51 -0.02 0.00 -0.61 0.00 0.00 39.78 39.10 1kvb n ASN 143 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1kvb s PRO 144 N -1.24 4.25 -0.00 3.52 0.02 -1.04 -4.57 135.00 135.93 1kvb s PRO 144 Ca 0.35 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.71 1kvb s PRO 144 Cb 0.20 -3.10 -0.00 0.00 0.02 0.00 0.00 34.50 31.61 1kvb s PRO 144 CO -0.11 -0.46 -0.00 2.41 -0.33 0.00 0.00 177.00 178.51 1kvb n THR 145 N 2.46 0.03 -3.39 0.99 -1.04 0.09 -4.83 114.28 108.59 1kvb n THR 145 Ca 0.08 -0.01 -0.19 0.00 -2.04 0.00 0.00 64.05 61.88 1kvb n THR 145 Cb 0.40 -0.80 -0.01 0.00 -1.82 0.00 0.00 70.33 68.09 1kvb n THR 145 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1kvb s LEU 146 N -4.42 3.60 -0.05 -4.42 1.43 0.61 -4.97 118.68 110.47 1kvb s LEU 146 Ca -0.00 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1kvb s LEU 146 Cb 0.00 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 1kvb s LEU 146 CO 0.01 -0.61 -0.10 -0.70 0.23 0.00 0.00 176.35 175.19 1kvb s GLU 147 N -4.19 2.61 -1.11 1.70 2.56 -1.26 -1.55 118.70 117.46 1kvb s GLU 147 Ca 0.49 -0.64 -0.15 0.00 0.00 0.00 0.00 54.97 54.67 1kvb s GLU 147 Cb -0.07 -2.49 0.16 0.00 2.00 0.00 0.00 34.13 33.73 1kvb s GLU 147 CO 0.30 0.64 1.32 0.34 -0.56 0.00 0.00 175.26 177.30 1kvb s ASP 148 N -0.91 6.92 0.28 -1.70 -1.08 -1.26 -4.88 116.67 114.04 1kvb s ASP 148 Ca 0.13 -2.68 0.00 0.00 -0.52 0.00 0.00 52.55 49.48 1kvb s ASP 148 Cb -0.11 -2.40 0.52 0.00 -1.46 0.00 0.00 42.92 39.48 1kvb s ASP 148 CO 0.02 -0.84 1.85 0.74 0.52 0.00 0.00 175.17 177.45 1kvb h THR 149 N 5.04 0.96 0.00 1.71 2.02 -1.96 -2.05 112.91 118.62 1kvb h THR 149 Ca 0.26 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1kvb h THR 149 Cb 0.93 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1kvb h THR 149 CO 1.19 0.19 0.00 0.61 0.37 0.00 0.00 175.52 177.88 1kvb n GLY 150 N -1.35 -1.10 3.76 2.16 0.00 -1.26 -4.84 105.19 102.56 1kvb n GLY 150 Ca 0.18 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1kvb n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1kvb s TYR 151 N -2.22 3.33 -0.23 1.61 5.04 -0.77 -4.98 117.35 119.13 1kvb s TYR 151 Ca 0.40 1.57 -0.11 0.00 -2.44 0.00 0.00 57.07 56.49 1kvb s TYR 151 Cb 0.21 -3.47 0.09 0.00 0.35 0.00 0.00 41.96 39.14 1kvb s TYR 151 CO 0.40 -1.16 0.54 1.14 -1.34 0.00 0.00 175.55 175.13 1kvb s GLN 152 N -1.59 0.50 0.58 4.97 -2.07 -1.26 -4.99 119.66 115.80 1kvb s GLN 152 Ca 0.47 1.10 0.35 0.00 -1.82 0.00 0.00 55.36 55.45 1kvb s GLN 152 Cb -0.36 0.27 1.77 0.00 -1.09 0.00 0.00 33.01 33.60 1kvb s GLN 152 CO 0.46 -0.18 2.16 0.28 -1.32 0.00 0.00 175.29 176.69 1kvb h VAL 153 N 5.61 0.23 0.00 3.63 2.07 -2.02 -3.38 116.25 122.38 1kvb h VAL 153 Ca -0.27 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1kvb h VAL 153 Cb 1.16 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1kvb h VAL 153 CO 0.18 0.04 0.00 -0.62 0.02 0.00 0.00 177.57 177.19 1kvb n GLU 154 N -3.32 0.00 0.00 1.57 1.02 -1.26 -5.25 120.64 113.40 1kvb n GLU 154 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1kvb n GLU 154 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.62 1kvb n GLU 154 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59