#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9c n LYS 2 N 0.00 0.00 0.00 0.03 5.02 -1.26 -5.00 118.16 116.95 3i9c n LYS 2 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 3i9c n LYS 2 Cb 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 35.03 35.16 3i9c n LYS 2 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3i9c n LEU 3 N 0.00 0.00 -2.32 -0.35 4.77 -1.26 -1.72 117.00 116.12 3i9c n LEU 3 Ca 0.00 0.33 -0.35 0.00 -0.03 0.00 0.00 56.01 55.96 3i9c n LEU 3 Cb 0.00 -0.33 0.08 0.00 -2.33 0.00 0.00 43.42 40.84 3i9c n LEU 3 CO 0.00 -0.26 1.43 -1.54 -1.33 0.00 0.00 177.39 175.69 3i9c n SER 4 N -1.33 7.61 0.00 -1.43 3.41 -1.26 -3.82 113.62 116.80 3i9c n SER 4 Ca 0.03 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 54.85 3i9c n SER 4 Cb 0.05 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 3i9c n SER 4 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3i9c n ASP 5 N -0.92 0.00 0.00 4.04 2.03 -0.70 -5.07 116.55 115.93 3i9c n ASP 5 Ca 0.63 -0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.74 3i9c n ASP 5 Cb 0.68 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.08 3i9c n ASP 5 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 3i9c n LEU 6 N 0.00 0.00 -1.05 -2.67 -0.00 -1.13 -5.00 117.00 107.16 3i9c n LEU 6 Ca 0.00 0.33 0.10 0.00 -0.00 0.00 0.00 56.01 56.44 3i9c n LEU 6 Cb 0.05 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.42 3i9c n LEU 6 CO 0.00 0.00 -0.35 -2.11 -0.00 0.00 0.00 177.39 174.93 3i9c n ARG 7 N -0.38 -1.91 -4.17 1.96 1.85 -1.26 -4.96 116.66 107.79 3i9c n ARG 7 Ca 0.00 1.54 -0.29 0.00 -1.00 0.00 0.00 57.85 58.10 3i9c n ARG 7 Cb 0.00 -2.45 -0.09 0.00 -1.05 0.00 0.00 32.46 28.87 3i9c n ARG 7 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3i9c s PRO 8 N -4.40 2.38 0.47 2.89 0.04 -1.26 -5.12 135.00 130.00 3i9c s PRO 8 Ca 0.00 -0.94 -0.19 0.00 0.04 0.00 0.00 61.00 59.90 3i9c s PRO 8 Cb 0.00 -2.43 -0.10 0.00 0.04 0.00 0.00 34.50 32.01 3i9c s PRO 8 CO 0.00 0.52 0.98 0.54 0.04 0.00 0.00 177.00 179.07 3i9c s ASN 9 N -2.36 6.73 0.00 6.66 2.20 -1.26 -4.98 114.94 121.92 3i9c s ASN 9 Ca 0.24 1.69 0.00 0.00 -0.94 0.00 0.00 52.86 53.86 3i9c s ASN 9 Cb -0.11 -2.53 0.00 0.00 -2.00 0.00 0.00 41.25 36.60 3i9c s ASN 9 CO 0.17 -0.51 0.00 -2.65 -2.94 0.00 0.00 177.10 171.17 3i9c n PRO 10 N -0.99 0.00 -1.03 3.55 -0.02 -1.26 -4.67 135.00 130.58 3i9c n PRO 10 Ca 0.07 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.20 3i9c n PRO 10 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.00 3i9c n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i9c n GLY 11 N 0.00 -1.42 0.00 -1.23 0.00 -1.26 -3.26 105.19 98.02 3i9c n GLY 11 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3i9c n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9c n ALA 12 N -0.12 0.00 0.40 4.61 0.00 -1.26 -4.68 120.51 119.46 3i9c n ALA 12 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.66 3i9c n ALA 12 Cb 0.20 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.06 3i9c n ALA 12 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i9c n ASN 13 N 1.12 0.39 0.13 0.00 5.15 -1.20 -2.51 115.26 118.33 3i9c n ASN 13 Ca 0.00 0.60 0.04 0.00 -0.60 0.00 0.00 54.58 54.62 3i9c n ASN 13 Cb 0.00 -0.68 0.21 0.00 -0.53 0.00 0.00 39.78 38.77 3i9c n ASN 13 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 3i9c n LYS 14 N -1.93 0.06 0.00 1.20 0.00 -1.26 -4.08 118.16 112.15 3i9c n LYS 14 Ca 0.02 0.48 0.00 0.00 0.00 0.00 0.00 58.31 58.81 3i9c n LYS 14 Cb 0.19 -2.08 0.00 0.00 0.00 0.00 0.00 35.03 33.13 3i9c n LYS 14 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3i9c n ARG 15 N -1.82 0.00 -1.03 1.64 3.00 -1.05 -4.53 116.66 112.87 3i9c n ARG 15 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 3i9c n ARG 15 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.88 3i9c n ARG 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3i9c n ARG 16 N 0.00 0.00 -1.46 -0.14 5.12 -1.26 -4.81 116.66 114.11 3i9c n ARG 16 Ca 0.00 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.61 3i9c n ARG 16 Cb 0.00 0.00 0.08 0.00 -1.16 0.00 0.00 32.46 31.38 3i9c n ARG 16 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3i9c s LYS 17 N -0.50 2.41 0.00 5.56 1.02 -1.26 -5.06 119.74 121.90 3i9c s LYS 17 Ca 0.00 0.91 0.00 0.00 0.02 0.00 0.00 55.97 56.90 3i9c s LYS 17 Cb 0.00 -1.93 0.00 0.00 -0.52 0.00 0.00 37.83 35.38 3i9c s LYS 17 CO 0.00 -1.46 0.00 0.54 -0.92 0.00 0.00 175.35 173.51 3i9c n ARG 18 N -3.37 1.29 -3.39 1.68 1.74 -1.26 -5.11 116.66 108.23 3i9c n ARG 18 Ca 0.08 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.18 3i9c n ARG 18 Cb 0.54 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.99 3i9c n ARG 18 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3i9c n VAL 19 N -0.08 0.00 -2.11 1.55 3.14 -1.26 -5.00 118.33 114.56 3i9c n VAL 19 Ca 0.00 -0.11 0.03 0.00 -2.96 0.00 0.00 64.34 61.30 3i9c n VAL 19 Cb 0.00 0.41 0.03 0.00 -1.06 0.00 0.00 33.84 33.23 3i9c n VAL 19 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i9c n GLY 20 N -0.66 1.37 0.00 7.55 0.00 -1.26 -4.70 105.19 107.48 3i9c n GLY 20 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3i9c n GLY 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i9c n ARG 21 N 0.02 0.00 -4.70 1.61 3.00 -1.25 -4.68 116.66 110.66 3i9c n ARG 21 Ca 0.05 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.59 3i9c n ARG 21 Cb 0.88 -0.05 -0.09 0.00 0.00 0.00 0.00 32.46 33.21 3i9c n ARG 21 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3i9c s GLY 22 N 0.00 2.82 1.47 5.14 0.00 -1.26 -4.67 107.32 110.81 3i9c s GLY 22 Ca 0.00 -1.16 -0.24 0.00 0.00 0.00 0.00 44.72 43.32 3i9c s GLY 22 CO 0.00 -2.16 0.87 -1.55 0.00 0.00 0.00 173.10 170.26 3i9c n PRO 23 N -1.15 -4.80 -3.45 2.90 -0.04 -1.26 -4.26 135.00 122.95 3i9c n PRO 23 Ca -0.13 -1.42 -0.21 0.00 -0.04 0.00 0.00 63.50 61.69 3i9c n PRO 23 Cb 0.67 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 3i9c n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i9c n GLY 24 N 1.88 -0.88 0.00 0.55 0.00 -1.26 -4.68 105.19 100.80 3i9c n GLY 24 Ca 0.13 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.68 3i9c n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i9c n SER 25 N -1.70 0.00 0.00 1.61 3.41 -1.26 -5.09 113.62 110.58 3i9c n SER 25 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 3i9c n SER 25 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 3i9c n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i9c n GLY 26 N 0.00 2.89 0.00 5.00 0.00 -1.26 -4.66 105.19 107.16 3i9c n GLY 26 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3i9c n GLY 26 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i9c n HIS 27 N 14.00 0.00 -0.43 1.61 8.25 -1.26 -4.73 115.22 132.66 3i9c n HIS 27 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i9c n HIS 27 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3i9c n HIS 27 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i9c n GLY 28 N 0.00 2.58 0.00 -1.41 0.00 -1.26 -3.94 105.19 101.17 3i9c n GLY 28 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3i9c n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i9c n LYS 29 N 0.00 0.00 0.22 1.61 4.81 -1.26 0.62 118.16 124.16 3i9c n LYS 29 Ca 0.00 0.02 0.08 0.00 -0.87 0.00 0.00 58.31 57.55 3i9c n LYS 29 Cb 0.00 -0.04 0.51 0.00 0.02 0.00 0.00 35.03 35.52 3i9c n LYS 29 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 3i9c h THR 30 N 0.00 0.79 -4.36 3.15 1.35 -1.94 -3.48 112.91 108.43 3i9c h THR 30 Ca 0.00 -1.01 -0.25 0.00 -0.55 0.00 0.00 66.41 64.60 3i9c h THR 30 Cb 0.00 1.62 0.10 0.00 -1.73 0.00 0.00 68.15 68.14 3i9c h THR 30 CO 0.00 0.24 -0.49 0.00 -0.25 0.00 0.00 175.52 175.03 3i9c n ALA 31 N -2.32 -1.10 -3.03 6.62 0.00 0.20 -3.21 120.51 117.67 3i9c n ALA 31 Ca -0.01 0.13 -0.19 0.00 0.00 0.00 0.00 53.44 53.38 3i9c n ALA 31 Cb 0.37 -2.95 0.04 0.00 0.00 0.00 0.00 19.45 16.91 3i9c n ALA 31 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3i9c n THR 32 N -3.70 -1.88 0.02 0.00 5.66 -1.26 -4.91 114.28 108.21 3i9c n THR 32 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 3i9c n THR 32 Cb 0.57 -3.18 -0.00 0.00 -1.55 0.00 0.00 70.33 66.17 3i9c n THR 32 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i9c n ARG 33 N -3.64 4.24 -1.29 1.09 1.74 -1.20 -5.12 116.66 112.48 3i9c n ARG 33 Ca -0.06 -0.18 0.17 0.00 -0.77 0.00 0.00 57.85 57.01 3i9c n ARG 33 Cb 0.58 -0.68 -0.05 0.00 -1.02 0.00 0.00 32.46 31.29 3i9c n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i9c n GLY 34 N 0.68 -2.22 0.09 -0.13 0.00 -1.26 -4.35 105.19 98.00 3i9c n GLY 34 Ca 0.00 -1.17 0.13 0.00 0.00 0.00 0.00 46.02 44.98 3i9c n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i9c n HIS 35 N -4.00 0.80 -0.02 1.61 8.25 -1.26 -4.90 115.22 115.70 3i9c n HIS 35 Ca -0.01 0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 3i9c n HIS 35 Cb 0.59 -0.88 0.00 0.00 1.12 0.00 0.00 29.99 30.83 3i9c n HIS 35 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3i9c n LYS 36 N -2.16 1.17 0.00 -0.41 5.02 -1.26 -5.02 118.16 115.51 3i9c n LYS 36 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 3i9c n LYS 36 Cb 0.42 -0.03 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 3i9c n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i9c n GLY 37 N 0.10 4.87 0.00 0.72 0.00 -1.26 -4.73 105.19 104.89 3i9c n GLY 37 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3i9c n GLY 37 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i9c n GLN 38 N 0.00 0.00 -0.17 1.61 7.27 -1.26 0.84 117.38 125.67 3i9c n GLN 38 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.03 3i9c n GLN 38 Cb 0.00 0.00 0.16 0.00 2.41 0.00 0.00 30.24 32.81 3i9c n GLN 38 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 3i9c h LYS 39 N 0.00 0.92 0.00 3.69 3.64 -1.92 -2.22 116.57 120.68 3i9c h LYS 39 Ca 0.00 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 3i9c h LYS 39 Cb 0.00 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3i9c h LYS 39 CO 0.00 0.80 -0.06 0.66 -2.27 0.00 0.00 179.45 178.58 3i9c h SER 40 N 0.89 0.00 -3.79 4.20 4.64 0.21 -3.42 113.55 116.28 3i9c h SER 40 Ca 0.20 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 61.06 3i9c h SER 40 Cb 0.28 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 62.54 3i9c h SER 40 CO -0.01 0.06 0.17 -0.13 -0.87 0.00 0.00 176.83 176.05 3i9c s ARG 41 N -3.50 0.29 0.01 4.77 1.81 -0.83 -4.96 118.95 116.53 3i9c s ARG 41 Ca 0.03 0.64 -0.13 0.00 -1.72 0.00 0.00 55.73 54.55 3i9c s ARG 41 Cb 0.08 -1.71 -0.07 0.00 -0.45 0.00 0.00 34.95 32.80 3i9c s ARG 41 CO 0.60 -2.86 1.05 1.03 -0.68 0.00 0.00 175.30 174.44 3i9c h SER 42 N -1.99 -0.41 -0.56 0.23 0.87 -1.87 -3.05 113.55 106.77 3i9c h SER 42 Ca -0.55 0.01 0.20 0.00 -1.23 0.00 0.00 61.79 60.22 3i9c h SER 42 Cb 1.32 0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 63.33 3i9c h SER 42 CO 0.55 -0.26 0.35 0.61 -0.53 0.00 0.00 176.83 177.55 3i9c n GLY 43 N -0.80 -0.35 5.91 5.77 0.00 -1.26 -4.83 105.19 109.63 3i9c n GLY 43 Ca -0.06 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3i9c n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9c n GLY 44 N -1.20 -1.93 0.77 -0.02 0.00 -1.16 -4.95 105.19 96.70 3i9c n GLY 44 Ca 0.17 -1.50 -0.06 0.00 0.00 0.00 0.00 46.02 44.63 3i9c n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i9c n LEU 45 N 0.00 0.00 0.02 0.99 7.99 -1.26 -4.64 117.00 120.10 3i9c n LEU 45 Ca 0.00 -0.28 -0.20 0.00 -0.01 0.00 0.00 56.01 55.52 3i9c n LEU 45 Cb 0.00 -0.21 -0.14 0.00 -0.11 0.00 0.00 43.42 42.96 3i9c n LEU 45 CO 0.00 -0.93 -0.12 0.50 -1.51 0.00 0.00 177.39 175.33 3i9c h LYS 46 N 0.00 0.24 0.00 3.23 1.63 -1.96 -3.49 116.57 116.22 3i9c h LYS 46 Ca -0.09 -0.40 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 3i9c h LYS 46 Cb 0.25 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 3i9c h LYS 46 CO 0.06 1.19 0.00 -3.47 -3.45 0.00 0.00 179.45 173.78 3i9c n ASP 47 N -4.11 0.00 -0.33 4.20 2.03 -1.26 -4.99 116.55 112.08 3i9c n ASP 47 Ca -0.19 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.20 3i9c n ASP 47 Cb 0.81 0.11 0.17 0.00 -0.72 0.00 0.00 41.12 41.48 3i9c n ASP 47 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3i9c n PRO 48 N -1.60 1.38 -0.37 -0.67 -0.04 -1.26 -4.98 135.00 127.46 3i9c n PRO 48 Ca 0.00 -2.87 0.02 0.00 -0.04 0.00 0.00 63.50 60.61 3i9c n PRO 48 Cb 0.00 -1.51 0.09 0.00 -0.04 0.00 0.00 33.50 32.04 3i9c n PRO 48 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i9c n ARG 49 N -1.24 -0.16 -3.32 0.54 1.74 -1.26 -1.57 116.66 111.38 3i9c n ARG 49 Ca 0.17 1.55 -0.29 0.00 -0.77 0.00 0.00 57.85 58.51 3i9c n ARG 49 Cb 0.67 -2.30 -0.06 0.00 -1.02 0.00 0.00 32.46 29.74 3i9c n ARG 49 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3i9c n ARG 50 N -5.55 2.86 -3.67 5.56 1.85 -1.26 -5.03 116.66 111.42 3i9c n ARG 50 Ca 0.13 -4.69 -0.12 0.00 -1.00 0.00 0.00 57.85 52.17 3i9c n ARG 50 Cb 0.45 -2.29 -0.08 0.00 -1.05 0.00 0.00 32.46 29.49 3i9c n ARG 50 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 3i9c s PHE 51 N -2.65 -0.69 0.00 2.89 5.36 -0.61 -4.97 117.98 117.31 3i9c s PHE 51 Ca 0.40 1.61 0.00 0.00 -0.96 0.00 0.00 56.93 57.98 3i9c s PHE 51 Cb 0.15 0.28 0.00 0.00 -0.34 0.00 0.00 43.02 43.12 3i9c s PHE 51 CO -0.01 -0.34 0.00 -0.85 -1.46 0.00 0.00 175.22 172.56 3i9c n GLU 52 N 3.15 0.08 -0.00 10.12 -0.00 -1.26 -4.94 120.64 127.79 3i9c n GLU 52 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.01 3i9c n GLU 52 Cb 0.56 0.00 -0.00 0.00 -0.00 0.00 0.00 31.44 32.00 3i9c n GLU 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3i9c n GLY 53 N 5.00 0.06 0.00 -1.84 0.00 -1.26 -4.86 105.19 102.29 3i9c n GLY 53 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3i9c n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9c n GLY 54 N 2.35 -0.44 3.53 -0.02 0.00 -1.26 -5.14 105.19 104.21 3i9c n GLY 54 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3i9c n GLY 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i9c n ARG 55 N 0.00 -2.41 0.09 1.61 0.63 -1.26 -5.01 116.66 110.31 3i9c n ARG 55 Ca 0.00 -1.81 -0.04 0.00 -0.92 0.00 0.00 57.85 55.08 3i9c n ARG 55 Cb 0.00 -1.49 -0.02 0.00 0.45 0.00 0.00 32.46 31.40 3i9c n ARG 55 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 3i9c h SER 56 N -2.31 -0.27 0.00 6.15 0.02 -2.00 -3.45 113.55 111.68 3i9c h SER 56 Ca -0.41 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 3i9c h SER 56 Cb 1.19 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.82 3i9c h SER 56 CO 0.27 -0.16 0.00 1.07 -1.14 0.00 0.00 176.83 176.88 3i9c n THR 57 N -2.87 0.00 -0.34 -2.27 5.66 -1.26 -4.96 114.28 108.24 3i9c n THR 57 Ca -0.03 0.00 0.18 0.00 -3.05 0.00 0.00 64.05 61.15 3i9c n THR 57 Cb 0.11 0.00 0.35 0.00 -1.55 0.00 0.00 70.33 69.23 3i9c n THR 57 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 3i9c h THR 58 N 0.00 0.03 0.00 1.09 1.35 -1.95 -3.36 112.91 110.07 3i9c h THR 58 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 3i9c h THR 58 Cb 0.00 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 66.43 3i9c h THR 58 CO 0.00 0.00 0.00 -0.11 -0.25 0.00 0.00 175.52 175.16 3i9c n LEU 59 N -5.43 0.00 -2.93 3.87 0.00 -1.26 -4.54 117.00 106.70 3i9c n LEU 59 Ca 0.26 0.00 -0.17 0.00 0.00 0.00 0.00 56.01 56.10 3i9c n LEU 59 Cb 0.86 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 44.24 3i9c n LEU 59 CO -0.05 0.00 -0.11 0.23 0.00 0.00 0.00 177.39 177.47 3i9c n MET 60 N 0.00 -0.91 -3.37 1.96 2.81 -1.26 -4.81 117.12 111.54 3i9c n MET 60 Ca 0.00 0.05 -0.18 0.00 -1.81 0.00 0.00 57.70 55.76 3i9c n MET 60 Cb 0.00 -1.85 -0.08 0.00 -0.71 0.00 0.00 33.22 30.58 3i9c n MET 60 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3i9c s ARG 61 N -4.01 0.63 0.00 0.03 0.52 -1.26 -4.93 118.95 109.93 3i9c s ARG 61 Ca 0.25 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 54.57 3i9c s ARG 61 Cb -0.15 -0.77 0.00 0.00 0.52 0.00 0.00 34.95 34.56 3i9c s ARG 61 CO 0.43 -1.19 0.00 -0.11 0.02 0.00 0.00 175.30 174.45 3i9c n LEU 62 N 4.24 -1.44 -3.61 2.53 -0.00 -1.26 -5.09 117.00 112.37 3i9c n LEU 62 Ca 0.11 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.84 3i9c n LEU 62 Cb 0.44 -0.72 -0.12 0.00 -0.00 0.00 0.00 43.42 43.03 3i9c n LEU 62 CO 0.09 0.00 -0.23 -2.16 -0.00 0.00 0.00 177.39 175.09 3i9c s PRO 63 N -2.82 1.35 -0.59 1.96 0.04 -1.26 -4.98 135.00 128.69 3i9c s PRO 63 Ca 0.00 -2.29 0.00 0.00 0.04 0.00 0.00 61.00 58.75 3i9c s PRO 63 Cb 0.00 -2.15 0.48 0.00 0.04 0.00 0.00 34.50 32.87 3i9c s PRO 63 CO 0.00 -1.28 1.91 1.17 0.04 0.00 0.00 177.00 178.84 3i9c n LYS 64 N 2.97 2.71 -1.19 4.56 4.81 -1.26 -4.13 118.16 126.62 3i9c n LYS 64 Ca 0.19 -3.35 -0.20 0.00 -0.87 0.00 0.00 58.31 54.09 3i9c n LYS 64 Cb 0.40 -2.26 0.15 0.00 0.02 0.00 0.00 35.03 33.34 3i9c n LYS 64 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3i9c n ARG 65 N -0.93 2.34 -1.26 1.64 1.74 -1.26 -5.02 116.66 113.91 3i9c n ARG 65 Ca 0.60 -3.26 -0.38 0.00 -0.77 0.00 0.00 57.85 54.03 3i9c n ARG 65 Cb 0.84 -2.09 0.02 0.00 -1.02 0.00 0.00 32.46 30.21 3i9c n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i9c n GLY 66 N -1.05 -2.99 0.00 -0.13 0.00 -1.26 -4.68 105.19 95.08 3i9c n GLY 66 Ca 0.50 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3i9c n GLY 66 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3i9c n MET 67 N 1.21 0.00 -0.19 1.61 0.00 -1.26 -5.06 117.12 113.43 3i9c n MET 67 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 57.70 57.86 3i9c n MET 67 Cb 0.48 0.00 0.19 0.00 0.00 0.00 0.00 33.22 33.89 3i9c n MET 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3i9c n GLN 68 N 0.00 2.40 -1.24 2.12 1.13 -1.26 -5.08 117.38 115.45 3i9c n GLN 68 Ca 0.00 -2.12 0.00 0.00 -1.94 0.00 0.00 57.00 52.94 3i9c n GLN 68 Cb 0.00 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 28.96 3i9c n GLN 68 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i9c n GLY 69 N 1.04 -4.37 1.25 1.08 0.00 -1.26 -5.00 105.19 97.93 3i9c n GLY 69 Ca 0.16 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 3i9c n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i9c n GLN 70 N -0.35 -1.81 -0.02 1.61 3.00 -1.26 -4.91 117.38 113.63 3i9c n GLN 70 Ca 0.00 -0.62 -0.06 0.00 -0.01 0.00 0.00 57.00 56.31 3i9c n GLN 70 Cb 0.00 -0.59 0.13 0.00 0.00 0.00 0.00 30.24 29.78 3i9c n GLN 70 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 3i9c h VAL 71 N -1.96 1.28 -0.81 5.09 3.04 -2.07 -2.94 116.25 117.88 3i9c h VAL 71 Ca -0.15 -1.40 0.14 0.00 -1.01 0.00 0.00 66.70 64.28 3i9c h VAL 71 Cb 0.45 1.38 -0.06 0.00 -2.01 0.00 0.00 31.29 31.05 3i9c h VAL 71 CO 0.10 0.45 0.53 -0.65 -1.01 0.00 0.00 177.57 176.99 3i9c h PRO 72 N 0.52 0.55 0.00 4.17 0.11 -2.03 -3.47 132.00 131.85 3i9c h PRO 72 Ca 0.06 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3i9c h PRO 72 Cb 0.77 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.76 3i9c h PRO 72 CO 0.06 0.37 0.00 0.41 -0.21 0.00 0.00 178.00 178.63 3i9c n GLY 73 N -1.48 0.31 3.50 -0.55 0.00 -1.11 -5.01 105.19 100.86 3i9c n GLY 73 Ca 0.15 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 3i9c n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i9c s GLU 74 N -0.93 3.28 0.02 1.61 2.56 -1.26 -4.45 118.70 119.53 3i9c s GLU 74 Ca 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 54.97 54.26 3i9c s GLU 74 Cb 0.00 -4.09 -0.08 0.00 2.00 0.00 0.00 34.13 31.96 3i9c s GLU 74 CO 0.00 -1.52 1.89 0.96 -0.56 0.00 0.00 175.26 176.03 3i9c s ILE 75 N 3.88 3.13 -0.25 -3.70 -0.00 -1.26 -4.88 121.20 118.11 3i9c s ILE 75 Ca 0.28 0.18 -0.29 0.00 -0.00 0.00 0.00 60.65 60.81 3i9c s ILE 75 Cb -0.14 -3.11 0.01 0.00 -0.00 0.00 0.00 42.46 39.22 3i9c s ILE 75 CO 0.17 -0.02 1.05 -0.75 -0.00 0.00 0.00 174.94 175.39 3i9c s LYS 76 N 4.30 4.22 0.06 0.37 2.20 -1.26 -5.02 119.74 124.61 3i9c s LYS 76 Ca 0.85 1.30 0.03 0.00 -0.36 0.00 0.00 55.97 57.79 3i9c s LYS 76 Cb -0.41 -3.66 -0.03 0.00 -1.51 0.00 0.00 37.83 32.22 3i9c s LYS 76 CO 0.39 -0.69 -0.09 -0.98 -0.36 0.00 0.00 175.35 173.62 3i9c s ARG 77 N 3.30 0.63 0.34 4.03 1.70 -1.26 -5.13 118.95 122.56 3i9c s ARG 77 Ca 0.44 -0.89 -0.27 0.00 -0.47 0.00 0.00 55.73 54.54 3i9c s ARG 77 Cb -0.14 -0.36 -0.12 0.00 -0.57 0.00 0.00 34.95 33.75 3i9c s ARG 77 CO 0.08 0.06 1.14 -0.35 -1.08 0.00 0.00 175.30 175.15 3i9c n PRO 78 N 1.18 1.71 -4.35 3.89 -0.04 -1.26 -5.00 135.00 131.12 3i9c n PRO 78 Ca -0.21 0.60 -0.34 0.00 -0.04 0.00 0.00 63.50 63.52 3i9c n PRO 78 Cb 0.56 -2.11 -0.09 0.00 -0.04 0.00 0.00 33.50 31.81 3i9c n PRO 78 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3i9c s ARG 79 N -1.81 2.85 -0.32 0.54 1.70 -1.26 -5.10 118.95 115.56 3i9c s ARG 79 Ca 0.58 -0.53 -0.04 0.00 -0.47 0.00 0.00 55.73 55.27 3i9c s ARG 79 Cb -0.61 -2.70 0.04 0.00 -0.57 0.00 0.00 34.95 31.11 3i9c s ARG 79 CO 0.60 0.66 0.05 0.71 -1.08 0.00 0.00 175.30 176.24 3i9c s TYR 80 N -0.99 3.26 -0.27 5.89 2.02 -1.26 -3.74 117.35 122.26 3i9c s TYR 80 Ca 0.17 -1.65 -0.18 0.00 -0.37 0.00 0.00 57.07 55.04 3i9c s TYR 80 Cb -0.11 -2.19 -0.03 0.00 -0.40 0.00 0.00 41.96 39.23 3i9c s TYR 80 CO 0.07 -0.77 0.50 -1.14 -1.57 0.00 0.00 175.55 172.64 3i9c s GLN 81 N 1.33 4.01 0.87 -0.62 -0.44 -0.67 -4.92 119.66 119.21 3i9c s GLN 81 Ca -0.03 0.22 -0.13 0.00 -2.50 0.00 0.00 55.36 52.92 3i9c s GLN 81 Cb -0.20 -3.67 0.12 0.00 -1.64 0.00 0.00 33.01 27.62 3i9c s GLN 81 CO 0.01 -0.38 1.17 0.20 0.50 0.00 0.00 175.29 176.79 3i9c s GLY 82 N 1.59 1.60 -0.30 2.59 0.00 -1.26 -0.81 107.32 110.72 3i9c s GLY 82 Ca 0.20 -0.65 -0.14 0.00 0.00 0.00 0.00 44.72 44.13 3i9c s GLY 82 CO 0.10 -0.10 1.08 0.54 0.00 0.00 0.00 173.10 174.72 3i9c s VAL 83 N -3.47 -0.31 0.66 1.40 0.11 -1.07 -4.80 120.40 112.93 3i9c s VAL 83 Ca 0.64 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.53 3i9c s VAL 83 Cb -0.12 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 3i9c s VAL 83 CO 0.51 0.00 1.16 0.20 -3.33 0.00 0.00 175.10 173.64 3i9c s ASN 84 N 2.77 4.87 0.02 3.54 0.02 -1.25 -1.34 114.94 123.57 3i9c s ASN 84 Ca -0.02 2.19 0.25 0.00 -1.02 0.00 0.00 52.86 54.26 3i9c s ASN 84 Cb -0.08 -2.57 0.45 0.00 0.02 0.00 0.00 41.25 39.06 3i9c s ASN 84 CO -0.12 -1.80 1.37 0.00 0.02 0.00 0.00 177.10 176.57 3i9c n LEU 85 N -2.30 0.54 -0.34 0.60 -0.00 -1.11 -2.97 117.00 111.42 3i9c n LEU 85 Ca 0.12 0.04 0.06 0.00 -0.00 0.00 0.00 56.01 56.23 3i9c n LEU 85 Cb 0.51 -0.23 0.23 0.00 -0.00 0.00 0.00 43.42 43.94 3i9c n LEU 85 CO 0.47 0.09 1.25 0.07 -0.00 0.00 0.00 177.39 179.26 3i9c h LYS 86 N 0.00 1.00 0.00 1.47 2.10 -1.56 0.32 116.57 119.89 3i9c h LYS 86 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 3i9c h LYS 86 Cb 0.56 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 3i9c h LYS 86 CO 0.00 0.66 -1.03 -0.40 -2.00 0.00 0.00 179.45 176.68 3i9c n ASP 87 N -4.55 0.63 0.05 7.07 5.75 -1.24 -3.92 116.55 120.34 3i9c n ASP 87 Ca 0.17 -0.03 -0.08 0.00 -0.01 0.00 0.00 54.79 54.83 3i9c n ASP 87 Cb 0.28 0.71 0.06 0.00 -1.03 0.00 0.00 41.12 41.14 3i9c n ASP 87 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3i9c h LEU 88 N 0.00 0.44 -7.17 -2.12 5.85 -0.82 -3.36 115.31 108.13 3i9c h LEU 88 Ca 0.00 -0.27 -0.73 0.00 0.84 0.00 0.00 57.88 57.71 3i9c h LEU 88 Cb 0.81 -0.13 -0.14 0.00 0.37 0.00 0.00 40.66 41.57 3i9c h LEU 88 CO 0.00 0.99 1.86 0.00 -0.34 0.00 0.00 178.44 180.95 3i9c n ALA 89 N -2.50 4.46 0.00 1.25 0.00 0.89 -3.97 120.51 120.65 3i9c n ALA 89 Ca -0.04 -4.18 0.00 0.00 0.00 0.00 0.00 53.44 49.23 3i9c n ALA 89 Cb 0.67 -3.16 0.00 0.00 0.00 0.00 0.00 19.45 16.96 3i9c n ALA 89 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3i9c n ARG 90 N 5.52 0.00 -4.68 0.00 1.85 -1.26 -4.99 116.66 113.10 3i9c n ARG 90 Ca 0.41 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.96 3i9c n ARG 90 Cb 0.41 -0.46 -0.13 0.00 -1.05 0.00 0.00 32.46 31.22 3i9c n ARG 90 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 3i9c s PHE 91 N -1.00 2.46 0.01 2.89 -0.71 -1.25 -5.14 117.98 115.24 3i9c s PHE 91 Ca 0.00 -0.32 -0.02 0.00 -1.04 0.00 0.00 56.93 55.56 3i9c s PHE 91 Cb 0.00 -1.41 -0.01 0.00 -1.21 0.00 0.00 43.02 40.38 3i9c s PHE 91 CO 0.00 0.23 0.01 -1.21 -1.34 0.00 0.00 175.22 172.91 3i9c s GLU 92 N -1.49 0.33 0.00 1.99 2.02 -1.26 -4.99 118.70 115.30 3i9c s GLU 92 Ca 0.14 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.61 3i9c s GLU 92 Cb -0.10 0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.25 3i9c s GLU 92 CO 0.05 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.68 3i9c n GLY 93 N 1.67 -1.25 2.44 -1.39 0.00 -1.26 -5.02 105.19 100.38 3i9c n GLY 93 Ca -0.23 0.46 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 3i9c n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i9c s GLU 94 N 0.00 0.89 0.40 1.61 2.12 -1.26 -3.53 118.70 118.93 3i9c s GLU 94 Ca 0.00 -1.94 -0.27 0.00 0.36 0.00 0.00 54.97 53.12 3i9c s GLU 94 Cb 0.00 -1.26 -0.09 0.00 0.26 0.00 0.00 34.13 33.04 3i9c s GLU 94 CO 0.00 -1.37 1.34 0.14 -0.54 0.00 0.00 175.26 174.83 3i9c s VAL 95 N 0.22 2.51 0.28 3.70 -7.23 -0.86 -4.89 120.40 114.12 3i9c s VAL 95 Ca 0.32 0.47 -0.09 0.00 -1.81 0.00 0.00 61.98 60.86 3i9c s VAL 95 Cb 0.02 -3.28 -0.00 0.00 0.56 0.00 0.00 36.38 33.67 3i9c s VAL 95 CO -0.17 0.08 0.46 0.42 -0.31 0.00 0.00 175.10 175.58 3i9c s THR 96 N -1.22 0.00 0.70 5.32 -4.23 -1.26 -1.99 115.64 112.95 3i9c s THR 96 Ca 0.56 -1.49 -0.12 0.00 -1.18 0.00 0.00 61.69 59.46 3i9c s THR 96 Cb -0.40 -2.38 0.18 0.00 1.34 0.00 0.00 72.50 71.24 3i9c s THR 96 CO 0.52 0.00 0.42 -2.65 -0.54 0.00 0.00 174.62 172.37 3i9c n PRO 97 N -0.43 -3.28 0.00 3.99 -0.02 -1.26 -2.06 135.00 131.95 3i9c n PRO 97 Ca -0.01 -0.71 0.00 0.00 -2.02 0.00 0.00 63.50 60.76 3i9c n PRO 97 Cb 0.62 -0.90 0.00 0.00 -0.02 0.00 0.00 33.50 33.20 3i9c n PRO 97 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3i9c n GLU 98 N -3.77 0.00 0.03 -0.52 -0.00 -1.26 -3.66 120.64 111.46 3i9c n GLU 98 Ca 0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 57.16 57.18 3i9c n GLU 98 Cb 0.29 -1.04 -0.10 0.00 -0.00 0.00 0.00 31.44 30.59 3i9c n GLU 98 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3i9c h LEU 99 N 0.00 0.00 0.16 -1.84 5.85 -1.84 0.12 115.31 117.76 3i9c h LEU 99 Ca 0.00 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.42 3i9c h LEU 99 Cb 0.00 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.04 3i9c h LEU 99 CO 0.00 0.83 -1.42 -0.07 -0.34 0.00 0.00 178.44 177.43 3i9c h LEU 100 N 0.00 0.52 0.07 2.25 -0.00 -1.48 -3.34 115.31 113.32 3i9c h LEU 100 Ca -0.15 -0.61 -0.00 0.00 -0.00 0.00 0.00 57.88 57.12 3i9c h LEU 100 Cb 1.76 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 42.25 3i9c h LEU 100 CO 0.08 1.49 -0.03 1.62 -0.00 0.00 0.00 178.44 181.60 3i9c h VAL 101 N 0.09 1.19 0.00 1.22 3.04 -1.61 -2.39 116.25 117.79 3i9c h VAL 101 Ca -0.21 -1.46 -0.46 0.00 -1.01 0.00 0.00 66.70 63.56 3i9c h VAL 101 Cb 2.04 2.07 0.02 0.00 -2.01 0.00 0.00 31.29 33.41 3i9c h VAL 101 CO 0.20 0.33 2.77 -1.14 -1.01 0.00 0.00 177.57 178.73 3i9c n ARG 102 N -4.81 2.28 0.00 4.17 0.00 0.41 -3.65 116.66 115.05 3i9c n ARG 102 Ca -0.08 -1.64 0.00 0.00 -0.00 0.00 0.00 57.85 56.13 3i9c n ARG 102 Cb 0.30 -2.57 0.00 0.00 0.00 0.00 0.00 32.46 30.19 3i9c n ARG 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i9c n ALA 103 N 4.52 0.00 -0.89 5.13 0.00 -1.22 -4.76 120.51 123.28 3i9c n ALA 103 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3i9c n ALA 103 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 3i9c n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9c n GLY 104 N 0.00 0.36 0.00 0.00 0.00 -1.05 -5.11 105.19 99.40 3i9c n GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9c n GLY 104 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i9c n LEU 105 N -0.01 0.00 0.00 0.99 4.32 -0.93 -4.95 117.00 116.43 3i9c n LEU 105 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3i9c n LEU 105 Cb 0.25 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 3i9c n LEU 105 CO 0.00 0.00 0.00 0.18 -1.22 0.00 0.00 177.39 176.35 3i9c n LEU 106 N 0.00 0.00 -3.20 2.23 4.32 -1.26 -3.49 117.00 115.59 3i9c n LEU 106 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.94 3i9c n LEU 106 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3i9c n LEU 106 CO 0.00 0.00 0.23 0.29 -1.22 0.00 0.00 177.39 176.69 3i9c n LYS 107 N 0.00 -1.36 -0.20 3.23 5.02 -1.26 -2.58 118.16 121.00 3i9c n LYS 107 Ca 0.00 1.35 0.00 0.00 -2.02 0.00 0.00 58.31 57.64 3i9c n LYS 107 Cb 0.00 -5.09 0.00 0.00 -0.02 0.00 0.00 35.03 29.92 3i9c n LYS 107 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i9c n LYS 108 N -1.94 -0.41 -0.55 1.97 5.02 -1.26 -4.53 118.16 116.46 3i9c n LYS 108 Ca -0.06 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.14 3i9c n LYS 108 Cb 0.54 -1.07 0.04 0.00 -0.02 0.00 0.00 35.03 34.52 3i9c n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i9c n GLY 109 N 0.00 3.12 5.81 0.72 0.00 -1.06 -4.98 105.19 108.79 3i9c n GLY 109 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3i9c n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3i9c n TYR 110 N 0.28 -0.74 -1.47 1.61 9.36 -1.26 -4.52 117.16 120.42 3i9c n TYR 110 Ca 0.20 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.42 3i9c n TYR 110 Cb 0.74 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.45 3i9c n TYR 110 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3i9c n ARG 111 N 0.00 -0.54 -3.32 2.98 3.00 -1.25 -4.27 116.66 113.26 3i9c n ARG 111 Ca 0.00 0.55 -0.38 0.00 -0.01 0.00 0.00 57.85 58.01 3i9c n ARG 111 Cb 0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 32.46 32.01 3i9c n ARG 111 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3i9c s LEU 112 N -0.06 4.22 -0.59 0.55 1.98 -1.26 -1.67 118.68 121.85 3i9c s LEU 112 Ca 0.00 0.71 0.03 0.00 -2.89 0.00 0.00 54.13 51.97 3i9c s LEU 112 Cb 0.00 -2.65 0.15 0.00 0.66 0.00 0.00 46.19 44.35 3i9c s LEU 112 CO 0.00 -0.05 0.35 -0.75 -1.89 0.00 0.00 176.35 174.01 3i9c s LYS 113 N 0.99 2.23 -0.38 1.98 2.20 0.01 -1.99 119.74 124.79 3i9c s LYS 113 Ca 0.24 -2.75 -0.27 0.00 -0.36 0.00 0.00 55.97 52.83 3i9c s LYS 113 Cb -0.15 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 32.67 3i9c s LYS 113 CO 0.09 -1.16 2.19 -1.50 -0.36 0.00 0.00 175.35 174.61 3i9c s ILE 114 N -0.48 3.12 0.00 5.43 2.07 -1.04 -2.61 121.20 127.69 3i9c s ILE 114 Ca 0.19 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.53 3i9c s ILE 114 Cb -0.21 -3.21 0.00 0.00 0.13 0.00 0.00 42.46 39.17 3i9c s ILE 114 CO -0.04 -0.17 0.00 0.00 -1.91 0.00 0.00 174.94 172.82 3i9c n LEU 115 N 13.20 0.00 -0.34 8.50 -0.00 -0.45 -3.20 117.00 134.71 3i9c n LEU 115 Ca 0.30 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.36 3i9c n LEU 115 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.90 3i9c n LEU 115 CO 0.69 0.00 -0.10 0.61 -0.00 0.00 0.00 177.39 178.59 3i9c n GLY 116 N 2.21 -1.97 2.12 1.47 0.00 -1.26 -2.74 105.19 105.02 3i9c n GLY 116 Ca 0.00 -1.41 -0.15 0.00 0.00 0.00 0.00 46.02 44.46 3i9c n GLY 116 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i9c n GLU 117 N -2.69 1.06 0.00 1.61 -0.00 -1.26 -4.38 120.64 114.98 3i9c n GLU 117 Ca -0.01 -1.94 0.00 0.00 -0.00 0.00 0.00 57.16 55.21 3i9c n GLU 117 Cb 0.16 0.24 0.00 0.00 -0.00 0.00 0.00 31.44 31.84 3i9c n GLU 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3i9c n GLY 118 N 1.33 1.73 2.01 -1.84 0.00 -1.26 -2.04 105.19 105.11 3i9c n GLY 118 Ca -0.02 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 3i9c n GLY 118 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i9c n GLU 119 N 1.98 0.00 -2.88 1.61 -0.58 -1.26 -4.11 120.64 115.40 3i9c n GLU 119 Ca 0.00 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.43 3i9c n GLU 119 Cb 0.00 -0.86 -0.04 0.00 -0.57 0.00 0.00 31.44 29.97 3i9c n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i9c s ALA 120 N 0.13 3.30 -0.19 0.62 0.00 -1.26 -4.77 121.76 119.59 3i9c s ALA 120 Ca 0.53 -0.06 -0.06 0.00 0.00 0.00 0.00 51.96 52.36 3i9c s ALA 120 Cb -0.74 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 3i9c s ALA 120 CO 0.34 0.07 0.02 0.15 0.00 0.00 0.00 175.76 176.34 3i9c s LYS 121 N -3.60 3.77 -0.81 0.00 3.01 -1.26 -4.97 119.74 115.89 3i9c s LYS 121 Ca 0.53 -0.45 -0.27 0.00 -1.01 0.00 0.00 55.97 54.77 3i9c s LYS 121 Cb -0.10 -3.12 -0.17 0.00 -1.01 0.00 0.00 37.83 33.43 3i9c s LYS 121 CO 0.27 0.15 2.54 -0.35 0.51 0.00 0.00 175.35 178.46 3i9c n PRO 122 N 3.87 0.41 -3.49 -1.68 -0.04 -1.26 -4.63 135.00 128.18 3i9c n PRO 122 Ca -0.17 -0.05 -0.10 0.00 -0.04 0.00 0.00 63.50 63.14 3i9c n PRO 122 Cb 0.52 -2.29 -0.02 0.00 -0.04 0.00 0.00 33.50 31.67 3i9c n PRO 122 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3i9c s LEU 123 N 9.79 -0.44 -0.17 1.53 0.05 -1.26 -4.80 118.68 123.37 3i9c s LEU 123 Ca 1.20 -0.03 -0.25 0.00 0.05 0.00 0.00 54.13 55.09 3i9c s LEU 123 Cb -0.77 2.27 -0.01 0.00 -2.05 0.00 0.00 46.19 45.63 3i9c s LEU 123 CO 0.39 -0.78 0.84 -0.75 -0.55 0.00 0.00 176.35 175.50 3i9c s LYS 124 N -3.39 4.30 -0.39 1.48 2.20 -1.23 -3.12 119.74 119.58 3i9c s LYS 124 Ca 0.04 1.03 0.02 0.00 -0.36 0.00 0.00 55.97 56.69 3i9c s LYS 124 Cb -0.01 -3.58 0.12 0.00 -1.51 0.00 0.00 37.83 32.85 3i9c s LYS 124 CO -0.10 -0.34 0.17 0.54 -0.36 0.00 0.00 175.35 175.27 3i9c s VAL 125 N 2.18 1.46 0.62 4.02 0.11 -1.19 -2.03 120.40 125.56 3i9c s VAL 125 Ca 0.39 -2.25 -0.18 0.00 -2.93 0.00 0.00 61.98 57.01 3i9c s VAL 125 Cb -0.17 -2.05 -0.02 0.00 -1.53 0.00 0.00 36.38 32.61 3i9c s VAL 125 CO 0.12 -0.78 1.17 -0.69 -3.33 0.00 0.00 175.10 171.59 3i9c s VAL 126 N 0.75 2.83 0.00 2.04 1.01 -0.84 -4.03 120.40 122.16 3i9c s VAL 126 Ca 0.14 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.60 3i9c s VAL 126 Cb -0.22 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3i9c s VAL 126 CO -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 175.10 174.86 3i9c n ALA 127 N -1.88 0.00 0.00 5.51 0.00 -1.20 -4.48 120.51 118.46 3i9c n ALA 127 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3i9c n ALA 127 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3i9c n ALA 127 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3i9c n HIS 128 N 0.00 0.00 -3.54 0.00 8.25 -0.84 -3.46 115.22 115.63 3i9c n HIS 128 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 3i9c n HIS 128 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 3i9c n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i9c s ALA 129 N -1.63 -1.85 -0.01 -1.41 0.00 -1.19 -4.15 121.76 111.51 3i9c s ALA 129 Ca 0.00 1.32 0.04 0.00 0.00 0.00 0.00 51.96 53.31 3i9c s ALA 129 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 3i9c s ALA 129 CO 0.00 -0.45 -0.12 -0.06 0.00 0.00 0.00 175.76 175.13 3i9c s PHE 130 N -1.84 1.07 -0.27 0.00 0.08 -1.26 -2.50 117.98 113.25 3i9c s PHE 130 Ca -0.01 -0.21 -0.29 0.00 0.12 0.00 0.00 56.93 56.54 3i9c s PHE 130 Cb -0.01 -0.69 -0.01 0.00 -0.57 0.00 0.00 43.02 41.75 3i9c s PHE 130 CO -0.01 -0.03 1.38 0.45 -0.10 0.00 0.00 175.22 176.92 3i9c s SER 131 N -0.23 6.62 0.30 1.36 0.15 -1.20 -4.85 113.70 115.85 3i9c s SER 131 Ca 0.04 1.35 0.06 0.00 0.70 0.00 0.00 55.95 58.10 3i9c s SER 131 Cb -0.05 -2.54 0.83 0.00 -1.71 0.00 0.00 66.02 62.56 3i9c s SER 131 CO -0.00 -1.10 1.47 1.17 1.20 0.00 0.00 173.24 175.98 3i9c n LYS 132 N 7.34 -0.07 -0.35 5.44 4.81 -1.26 0.21 118.16 134.28 3i9c n LYS 132 Ca 0.16 1.38 0.06 0.00 -0.87 0.00 0.00 58.31 59.04 3i9c n LYS 132 Cb 0.46 -2.25 0.23 0.00 0.02 0.00 0.00 35.03 33.48 3i9c n LYS 132 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3i9c h SER 133 N 0.00 0.95 1.05 3.14 0.87 -1.96 -1.03 113.55 116.57 3i9c h SER 133 Ca 0.62 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.21 3i9c h SER 133 Cb 1.37 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 3i9c h SER 133 CO -0.85 0.55 -0.78 0.00 -0.53 0.00 0.00 176.83 175.23 3i9c h ALA 134 N 1.51 0.57 0.00 6.23 0.00 0.23 -3.23 119.26 124.57 3i9c h ALA 134 Ca 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.31 3i9c h ALA 134 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3i9c h ALA 134 CO -0.22 0.00 -0.29 1.25 0.00 0.00 0.00 179.25 179.99 3i9c h LEU 135 N 0.00 0.00 0.00 0.00 7.12 0.99 -2.65 115.31 120.77 3i9c h LEU 135 Ca 0.00 0.00 -0.11 0.00 0.13 0.00 0.00 57.88 57.90 3i9c h LEU 135 Cb 0.91 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.03 3i9c h LEU 135 CO 0.00 0.29 -0.63 -0.33 -0.13 0.00 0.00 178.44 177.63 3i9c h GLU 136 N 0.00 0.00 0.10 1.25 3.07 -1.25 -3.08 114.58 114.67 3i9c h GLU 136 Ca -0.00 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.60 3i9c h GLU 136 Cb 0.89 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 3i9c h GLU 136 CO 0.04 0.44 -1.17 0.87 -1.40 0.00 0.00 179.01 177.79 3i9c h LYS 137 N 0.00 0.26 0.00 2.33 1.57 -1.54 -3.29 116.57 115.91 3i9c h LYS 137 Ca -0.03 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3i9c h LYS 137 Cb 1.39 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.85 3i9c h LYS 137 CO 0.06 1.18 -0.63 1.47 -0.57 0.00 0.00 179.45 180.96 3i9c n LEU 138 N -3.55 0.59 -1.27 2.94 -0.00 -1.16 -3.75 117.00 110.80 3i9c n LEU 138 Ca -0.07 0.09 0.00 0.00 -0.00 0.00 0.00 56.01 56.02 3i9c n LEU 138 Cb 0.98 -0.20 0.00 0.00 -0.00 0.00 0.00 43.42 44.20 3i9c n LEU 138 CO 0.53 0.04 0.67 1.17 -0.00 0.00 0.00 177.39 179.80 3i9c n LYS 139 N -1.80 0.89 -2.66 1.47 4.81 -1.16 -1.92 118.16 117.78 3i9c n LYS 139 Ca 0.04 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.43 3i9c n LYS 139 Cb 0.39 -1.05 0.11 0.00 0.02 0.00 0.00 35.03 34.50 3i9c n LYS 139 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i9c n ALA 140 N 1.05 1.52 0.00 3.14 0.00 -1.25 -4.98 120.51 119.99 3i9c n ALA 140 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.32 3i9c n ALA 140 Cb 0.45 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3i9c n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9c n ALA 141 N -0.90 0.00 -3.27 0.00 0.00 -0.91 -4.95 120.51 110.49 3i9c n ALA 141 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 3i9c n ALA 141 Cb 0.84 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.28 3i9c n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9c n GLY 142 N 0.00 3.23 0.48 0.00 0.00 -0.81 -4.40 105.19 103.69 3i9c n GLY 142 Ca 0.00 -1.54 -0.03 0.00 0.00 0.00 0.00 46.02 44.45 3i9c n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9c n GLY 143 N -0.14 0.44 0.00 -0.02 0.00 -1.18 -4.49 105.19 99.78 3i9c n GLY 143 Ca 0.01 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3i9c n GLY 143 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i9c n GLU 144 N -1.25 0.00 -1.39 1.61 -0.00 -1.26 -3.18 120.64 115.17 3i9c n GLU 144 Ca 0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 57.16 56.80 3i9c n GLU 144 Cb 0.07 0.00 0.03 0.00 -0.00 0.00 0.00 31.44 31.55 3i9c n GLU 144 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3i9c n PRO 145 N 0.00 0.36 0.00 3.44 -0.02 -1.26 -4.86 135.00 132.66 3i9c n PRO 145 Ca 0.00 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3i9c n PRO 145 Cb 0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3i9c n PRO 145 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3i9c n VAL 146 N -1.70 0.00 0.00 -1.45 3.14 -1.26 -3.22 118.33 113.84 3i9c n VAL 146 Ca 0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 3i9c n VAL 146 Cb 0.48 -0.94 0.00 0.00 -1.06 0.00 0.00 33.84 32.32 3i9c n VAL 146 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i9c n LEU 147 N 0.00 0.00 -3.64 6.55 -0.00 -1.22 -3.74 117.00 114.94 3i9c n LEU 147 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.98 3i9c n LEU 147 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 3i9c n LEU 147 CO 0.00 0.00 1.12 -1.48 -0.00 0.00 0.00 177.39 177.03 3i9c s LEU 148 N 0.00 -0.08 -0.23 1.47 2.34 -1.26 -4.85 118.68 116.07 3i9c s LEU 148 Ca 0.00 0.11 0.02 0.00 0.06 0.00 0.00 54.13 54.32 3i9c s LEU 148 Cb 0.00 1.17 0.05 0.00 -0.56 0.00 0.00 46.19 46.85 3i9c s LEU 148 CO 0.00 -0.06 -0.10 -1.83 -1.06 0.00 0.00 176.35 173.31 3i9c s GLU 149 N -0.67 2.07 0.00 1.48 1.03 -1.26 -5.08 118.70 116.28 3i9c s GLU 149 Ca 0.07 -1.08 0.00 0.00 0.03 0.00 0.00 54.97 53.99 3i9c s GLU 149 Cb -0.02 -2.66 0.00 0.00 -0.80 0.00 0.00 34.13 30.65 3i9c s GLU 149 CO -0.10 -0.51 0.00 0.00 -1.33 0.00 0.00 175.26 173.32