#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8f s LYS 2 N 0.00 0.47 0.18 0.03 1.02 -1.26 -5.05 119.74 115.13 3i8f s LYS 2 Ca 0.00 0.95 -0.26 0.00 0.02 0.00 0.00 55.97 56.69 3i8f s LYS 2 Cb 0.00 0.32 0.05 0.00 -0.52 0.00 0.00 37.83 37.68 3i8f s LYS 2 CO 0.00 -0.12 1.56 -0.07 -0.92 0.00 0.00 175.35 175.79 3i8f h LEU 3 N 6.97 -1.65 -5.42 3.17 3.38 -2.07 -1.38 115.31 118.31 3i8f h LEU 3 Ca -0.24 0.28 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 3i8f h LEU 3 Cb 1.17 0.76 0.00 0.00 0.09 0.00 0.00 40.66 42.68 3i8f h LEU 3 CO 0.14 -0.31 1.36 -1.54 0.09 0.00 0.00 178.44 178.19 3i8f n SER 4 N -5.38 2.24 0.00 -0.43 3.41 -1.26 -0.41 113.62 111.78 3i8f n SER 4 Ca 0.03 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 3i8f n SER 4 Cb 0.34 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 3i8f n SER 4 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3i8f n ASP 5 N 4.08 0.00 0.00 4.04 2.03 -0.52 -5.06 116.55 121.12 3i8f n ASP 5 Ca 0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.51 3i8f n ASP 5 Cb 0.12 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 3i8f n ASP 5 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3i8f n LEU 6 N 0.00 0.00 -1.06 -2.67 7.99 0.45 -4.99 117.00 116.71 3i8f n LEU 6 Ca 0.00 0.27 0.11 0.00 -0.01 0.00 0.00 56.01 56.38 3i8f n LEU 6 Cb 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.26 3i8f n LEU 6 CO 0.00 0.00 -0.34 -2.11 -1.51 0.00 0.00 177.39 173.43 3i8f n ARG 7 N -0.34 -1.93 -4.18 3.23 1.85 -1.26 -4.96 116.66 109.07 3i8f n ARG 7 Ca 0.00 1.54 -0.26 0.00 -1.00 0.00 0.00 57.85 58.13 3i8f n ARG 7 Cb 0.00 -2.48 -0.07 0.00 -1.05 0.00 0.00 32.46 28.86 3i8f n ARG 7 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3i8f s PRO 8 N -4.11 2.54 0.31 2.89 0.04 -1.26 -5.12 135.00 130.28 3i8f s PRO 8 Ca 0.00 -1.09 -0.17 0.00 0.04 0.00 0.00 61.00 59.78 3i8f s PRO 8 Cb 0.00 -2.41 -0.09 0.00 0.04 0.00 0.00 34.50 32.04 3i8f s PRO 8 CO 0.00 0.45 0.76 0.54 0.04 0.00 0.00 177.00 178.78 3i8f s ASN 9 N -3.13 6.87 0.00 6.66 2.20 -1.26 -4.92 114.94 121.36 3i8f s ASN 9 Ca 0.29 1.36 0.00 0.00 -0.94 0.00 0.00 52.86 53.57 3i8f s ASN 9 Cb -0.09 -2.40 0.00 0.00 -2.00 0.00 0.00 41.25 36.76 3i8f s ASN 9 CO 0.20 -0.15 0.00 -2.65 -2.94 0.00 0.00 177.10 171.56 3i8f n PRO 10 N -0.09 0.00 -0.67 3.55 -0.02 -1.26 -4.45 135.00 132.06 3i8f n PRO 10 Ca 0.02 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.21 3i8f n PRO 10 Cb 0.53 0.00 0.21 0.00 -0.02 0.00 0.00 33.50 34.22 3i8f n PRO 10 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3i8f s GLY 11 N 0.00 1.60 0.00 -1.23 0.00 -1.26 -3.71 107.32 102.72 3i8f s GLY 11 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.84 3i8f s GLY 11 CO 0.00 0.71 0.00 0.00 0.00 0.00 0.00 173.10 173.81 3i8f n ALA 12 N -4.58 0.00 0.40 3.20 0.00 -1.26 -4.61 120.51 113.66 3i8f n ALA 12 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.54 3i8f n ALA 12 Cb 0.54 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.18 3i8f n ALA 12 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i8f n ASN 13 N 3.01 0.00 -0.39 0.00 5.15 -1.24 -2.35 115.26 119.44 3i8f n ASN 13 Ca 0.00 -0.02 0.39 0.00 -0.60 0.00 0.00 54.58 54.35 3i8f n ASN 13 Cb 0.00 -0.15 0.75 0.00 -0.53 0.00 0.00 39.78 39.85 3i8f n ASN 13 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 3i8f h LYS 14 N 0.00 0.00 0.00 1.20 3.11 -1.82 -3.32 116.57 115.74 3i8f h LYS 14 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3i8f h LYS 14 Cb 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.26 3i8f h LYS 14 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 179.45 174.51 3i8f n ARG 15 N -4.02 0.00 -1.01 1.90 3.00 -0.99 -4.50 116.66 111.03 3i8f n ARG 15 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.14 3i8f n ARG 15 Cb 1.43 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.89 3i8f n ARG 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3i8f n ARG 16 N 0.00 0.00 0.00 -0.14 5.12 -1.25 -4.82 116.66 115.57 3i8f n ARG 16 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i8f n ARG 16 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3i8f n ARG 16 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3i8f n LYS 17 N -0.15 1.33 0.00 5.56 5.02 -1.26 -5.07 118.16 123.59 3i8f n LYS 17 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i8f n LYS 17 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3i8f n LYS 17 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i8f n ARG 18 N 0.00 2.20 -3.41 1.97 1.74 -1.26 -5.16 116.66 112.74 3i8f n ARG 18 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i8f n ARG 18 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3i8f n ARG 18 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3i8f n VAL 19 N 0.00 0.00 -2.03 1.55 3.14 -1.26 -4.99 118.33 114.74 3i8f n VAL 19 Ca 0.00 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.33 3i8f n VAL 19 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 3i8f n VAL 19 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i8f n GLY 20 N 0.00 0.50 0.00 7.55 0.00 -1.18 -4.85 105.19 107.20 3i8f n GLY 20 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3i8f n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8f n ARG 21 N -0.22 3.26 -0.42 1.61 3.00 -1.08 -4.35 116.66 118.47 3i8f n ARG 21 Ca -0.21 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.33 3i8f n ARG 21 Cb 0.64 0.00 0.28 0.00 0.00 0.00 0.00 32.46 33.39 3i8f n ARG 21 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3i8f s GLY 22 N 0.00 1.43 0.00 -0.13 0.00 -1.26 -3.71 107.32 103.65 3i8f s GLY 22 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 43.93 3i8f s GLY 22 CO 0.00 0.20 0.00 -1.55 0.00 0.00 0.00 173.10 171.75 3i8f n PRO 23 N -5.57 -0.27 -3.75 2.90 -0.04 -1.26 -4.00 135.00 123.01 3i8f n PRO 23 Ca 0.12 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.35 3i8f n PRO 23 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 3i8f n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i8f n GLY 24 N 3.06 -1.30 0.00 0.55 0.00 -1.26 -4.58 105.19 101.65 3i8f n GLY 24 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.61 3i8f n GLY 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i8f n SER 25 N -2.56 0.00 0.00 1.61 3.41 -1.26 -5.03 113.62 109.78 3i8f n SER 25 Ca -0.30 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 3i8f n SER 25 Cb 0.68 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 3i8f n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i8f n GLY 26 N 0.00 0.75 2.65 5.00 0.00 -1.26 -4.62 105.19 107.70 3i8f n GLY 26 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3i8f n GLY 26 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i8f n HIS 27 N 0.00 0.67 -2.53 1.61 8.25 -1.26 -4.77 115.22 117.19 3i8f n HIS 27 Ca 0.00 -1.24 0.00 0.00 -0.26 0.00 0.00 57.72 56.22 3i8f n HIS 27 Cb 0.00 -1.19 0.00 0.00 1.12 0.00 0.00 29.99 29.92 3i8f n HIS 27 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i8f n GLY 28 N 3.60 2.89 1.80 -1.41 0.00 -1.26 -2.62 105.19 108.20 3i8f n GLY 28 Ca 0.26 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.20 3i8f n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i8f n LYS 29 N -0.26 0.00 0.19 1.61 4.81 -1.24 0.60 118.16 123.87 3i8f n LYS 29 Ca 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.56 3i8f n LYS 29 Cb 0.00 0.00 0.62 0.00 0.02 0.00 0.00 35.03 35.67 3i8f n LYS 29 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 3i8f h THR 30 N 0.00 0.00 -5.00 3.15 1.35 -1.93 -3.46 112.91 107.02 3i8f h THR 30 Ca 0.00 0.00 -0.28 0.00 -0.55 0.00 0.00 66.41 65.58 3i8f h THR 30 Cb 0.00 0.50 0.14 0.00 -1.73 0.00 0.00 68.15 67.06 3i8f h THR 30 CO 0.00 0.00 -0.62 0.00 -0.25 0.00 0.00 175.52 174.65 3i8f n ALA 31 N -1.77 -1.59 -0.73 6.62 0.00 0.20 -2.55 120.51 120.69 3i8f n ALA 31 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3i8f n ALA 31 Cb 0.12 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.17 3i8f n ALA 31 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3i8f n THR 32 N -3.69 0.00 1.67 0.00 5.66 -1.26 -4.78 114.28 111.88 3i8f n THR 32 Ca -0.21 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 60.94 3i8f n THR 32 Cb 0.63 -0.66 0.67 0.00 -1.55 0.00 0.00 70.33 69.41 3i8f n THR 32 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i8f n ARG 33 N -0.84 1.42 -1.93 1.09 1.74 -1.06 -5.02 116.66 112.08 3i8f n ARG 33 Ca 0.00 -0.62 0.00 0.00 -0.77 0.00 0.00 57.85 56.46 3i8f n ARG 33 Cb 0.20 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 3i8f n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i8f n GLY 34 N 1.11 -0.19 0.00 -0.13 0.00 -1.26 -4.59 105.19 100.12 3i8f n GLY 34 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3i8f n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i8f n HIS 35 N 1.91 0.00 0.00 1.61 8.25 -1.26 -4.67 115.22 121.06 3i8f n HIS 35 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i8f n HIS 35 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3i8f n HIS 35 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3i8f n LYS 36 N 0.00 0.00 -3.85 -0.41 5.02 -1.26 -4.80 118.16 112.86 3i8f n LYS 36 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 3i8f n LYS 36 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 3i8f n LYS 36 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3i8f s GLY 37 N 0.00 0.30 0.00 0.72 0.00 -1.26 -4.93 107.32 102.15 3i8f s GLY 37 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.10 3i8f s GLY 37 CO 0.00 1.15 0.00 -0.18 0.00 0.00 0.00 173.10 174.07 3i8f n GLN 38 N -0.63 0.00 -0.05 2.90 7.27 -1.26 -2.41 117.38 123.20 3i8f n GLN 38 Ca -0.06 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.03 3i8f n GLN 38 Cb 0.60 0.00 0.34 0.00 2.41 0.00 0.00 30.24 33.59 3i8f n GLN 38 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 3i8f h LYS 39 N 0.00 0.64 -0.11 3.69 3.64 -1.97 -2.48 116.57 119.98 3i8f h LYS 39 Ca 0.00 -0.07 -0.22 0.00 -1.27 0.00 0.00 60.65 59.09 3i8f h LYS 39 Cb 0.00 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3i8f h LYS 39 CO 0.00 0.49 -0.78 0.66 -2.27 0.00 0.00 179.45 177.55 3i8f h SER 40 N 0.64 0.87 -2.65 4.20 4.64 -1.73 -3.42 113.55 116.11 3i8f h SER 40 Ca 0.16 -0.66 -0.57 0.00 -0.47 0.00 0.00 61.79 60.25 3i8f h SER 40 Cb 0.06 -0.26 0.19 0.00 -0.31 0.00 0.00 62.40 62.08 3i8f h SER 40 CO -0.02 1.40 -0.83 0.54 -0.87 0.00 0.00 176.83 177.05 3i8f n ARG 41 N -3.98 0.19 0.00 4.77 5.12 -0.93 -4.85 116.66 116.98 3i8f n ARG 41 Ca -0.08 0.09 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i8f n ARG 41 Cb 0.75 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.60 3i8f n ARG 41 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3i8f n SER 42 N 1.17 0.00 -0.08 0.55 2.88 -1.26 -1.88 113.62 115.00 3i8f n SER 42 Ca 0.08 0.68 -0.00 0.00 -1.33 0.00 0.00 58.87 58.30 3i8f n SER 42 Cb 0.50 -0.18 0.01 0.00 -0.75 0.00 0.00 64.21 63.78 3i8f n SER 42 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i8f n GLY 43 N -0.84 -0.42 0.00 0.46 0.00 -1.26 -4.83 105.19 98.30 3i8f n GLY 43 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3i8f n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8f n GLY 44 N -1.09 0.23 3.98 -0.02 0.00 -0.79 -5.03 105.19 102.47 3i8f n GLY 44 Ca 0.02 -1.90 -0.23 0.00 0.00 0.00 0.00 46.02 43.91 3i8f n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i8f s LEU 45 N 0.00 2.81 0.21 0.99 2.96 -1.26 -4.27 118.68 120.12 3i8f s LEU 45 Ca 0.00 -1.11 0.00 0.00 -0.22 0.00 0.00 54.13 52.80 3i8f s LEU 45 Cb 0.00 -1.28 0.16 0.00 0.50 0.00 0.00 46.19 45.56 3i8f s LEU 45 CO 0.00 -1.31 1.51 0.50 -1.32 0.00 0.00 176.35 175.74 3i8f h LYS 46 N 0.40 0.41 0.00 1.98 1.63 -1.96 -3.47 116.57 115.55 3i8f h LYS 46 Ca -0.32 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.20 3i8f h LYS 46 Cb 1.30 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.97 3i8f h LYS 46 CO 0.48 0.89 0.00 -3.47 -3.45 0.00 0.00 179.45 173.90 3i8f n ASP 47 N -3.91 0.00 -0.07 4.20 2.03 -1.26 -5.00 116.55 112.54 3i8f n ASP 47 Ca -0.03 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.22 3i8f n ASP 47 Cb 0.63 0.26 -0.02 0.00 -0.72 0.00 0.00 41.12 41.27 3i8f n ASP 47 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3i8f n PRO 48 N -1.80 0.42 0.00 -0.67 -0.04 -1.26 -5.02 135.00 126.64 3i8f n PRO 48 Ca 0.00 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 3i8f n PRO 48 Cb 0.00 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 3i8f n PRO 48 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i8f n ARG 49 N -4.28 0.00 -0.47 0.54 1.74 -1.26 0.21 116.66 113.14 3i8f n ARG 49 Ca -0.09 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.04 3i8f n ARG 49 Cb 0.32 0.00 0.23 0.00 -1.02 0.00 0.00 32.46 32.00 3i8f n ARG 49 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3i8f n ARG 50 N 0.00 3.06 -5.09 5.56 1.85 -1.26 -4.92 116.66 115.86 3i8f n ARG 50 Ca 0.00 -1.82 -0.32 0.00 -1.00 0.00 0.00 57.85 54.71 3i8f n ARG 50 Cb 0.00 -1.83 -0.15 0.00 -1.05 0.00 0.00 32.46 29.43 3i8f n ARG 50 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 3i8f s PHE 51 N -1.92 2.57 0.00 2.89 5.36 0.57 -4.93 117.98 122.52 3i8f s PHE 51 Ca 0.32 -0.57 0.00 0.00 -0.96 0.00 0.00 56.93 55.72 3i8f s PHE 51 Cb 0.23 -1.65 0.00 0.00 -0.34 0.00 0.00 43.02 41.26 3i8f s PHE 51 CO 0.12 -0.12 0.00 -0.85 -1.46 0.00 0.00 175.22 172.91 3i8f n GLU 52 N 2.89 2.50 -0.22 10.12 -0.00 -1.26 -4.94 120.64 129.73 3i8f n GLU 52 Ca -0.17 0.00 0.06 0.00 -0.00 0.00 0.00 57.16 57.04 3i8f n GLU 52 Cb 0.52 0.00 0.16 0.00 -0.00 0.00 0.00 31.44 32.12 3i8f n GLU 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3i8f n GLY 53 N 5.00 3.12 0.00 -1.84 0.00 -1.26 -4.83 105.19 105.38 3i8f n GLY 53 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3i8f n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8f n GLY 54 N 0.16 1.51 3.92 -0.02 0.00 -1.26 -5.12 105.19 104.38 3i8f n GLY 54 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 3i8f n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i8f s ARG 55 N -0.17 3.53 0.00 1.61 3.00 -1.26 -5.00 118.95 120.66 3i8f s ARG 55 Ca 0.00 -0.32 0.00 0.00 -1.00 0.00 0.00 55.73 54.41 3i8f s ARG 55 Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 34.95 32.09 3i8f s ARG 55 CO 0.00 0.43 0.00 0.43 0.00 0.00 0.00 175.30 176.16 3i8f n SER 56 N -0.46 0.00 0.00 -2.12 7.64 -1.26 -4.74 113.62 112.68 3i8f n SER 56 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 3i8f n SER 56 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 3i8f n SER 56 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3i8f n THR 57 N -0.11 0.00 -0.09 0.44 5.66 -1.26 -4.93 114.28 113.99 3i8f n THR 57 Ca 0.00 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.08 3i8f n THR 57 Cb 0.00 0.00 0.14 0.00 -1.55 0.00 0.00 70.33 68.92 3i8f n THR 57 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3i8f n THR 58 N 0.00 -0.06 0.00 1.09 -2.24 -1.26 -2.02 114.28 109.79 3i8f n THR 58 Ca 0.00 0.38 0.00 0.00 -2.27 0.00 0.00 64.05 62.16 3i8f n THR 58 Cb 0.00 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 3i8f n THR 58 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3i8f n LEU 59 N -3.11 1.65 -4.48 3.22 0.00 -1.26 -4.70 117.00 108.33 3i8f n LEU 59 Ca 0.08 0.01 -0.16 0.00 0.00 0.00 0.00 56.01 55.95 3i8f n LEU 59 Cb 0.32 0.00 -0.14 0.00 0.00 0.00 0.00 43.42 43.60 3i8f n LEU 59 CO 0.03 0.00 1.55 0.23 0.00 0.00 0.00 177.39 179.20 3i8f n MET 60 N -0.29 0.22 0.00 1.96 2.81 -0.86 -4.33 117.12 116.63 3i8f n MET 60 Ca 0.00 -0.48 0.00 0.00 -1.81 0.00 0.00 57.70 55.41 3i8f n MET 60 Cb 0.00 -2.29 0.00 0.00 -0.71 0.00 0.00 33.22 30.22 3i8f n MET 60 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3i8f n ARG 61 N 6.89 0.75 0.00 0.03 5.12 -1.26 -4.67 116.66 123.51 3i8f n ARG 61 Ca 0.51 -0.11 0.00 0.00 -1.93 0.00 0.00 57.85 56.32 3i8f n ARG 61 Cb 0.32 -0.48 0.00 0.00 -1.16 0.00 0.00 32.46 31.14 3i8f n ARG 61 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 3i8f n LEU 62 N -0.14 0.00 0.00 0.55 -0.00 -1.26 -5.17 117.00 110.99 3i8f n LEU 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3i8f n LEU 62 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 3i8f n LEU 62 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 177.39 176.58 3i8f n PRO 63 N -0.38 3.59 0.00 1.47 -0.04 -1.26 -4.97 135.00 133.41 3i8f n PRO 63 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3i8f n PRO 63 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3i8f n PRO 63 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3i8f n LYS 64 N 0.00 0.00 -0.90 0.54 5.02 -1.26 -4.94 118.16 116.62 3i8f n LYS 64 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 3i8f n LYS 64 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.88 3i8f n LYS 64 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3i8f n ARG 65 N 0.00 1.80 -0.52 1.97 0.63 -1.26 -4.89 116.66 114.39 3i8f n ARG 65 Ca 0.00 -0.82 -0.19 0.00 -0.92 0.00 0.00 57.85 55.93 3i8f n ARG 65 Cb 0.00 -1.79 0.02 0.00 0.45 0.00 0.00 32.46 31.14 3i8f n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i8f n GLY 66 N 2.26 -2.38 1.49 5.14 0.00 -1.26 -4.66 105.19 105.78 3i8f n GLY 66 Ca 0.34 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3i8f n GLY 66 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3i8f n MET 67 N 1.29 0.00 -0.02 1.61 0.00 -1.26 -4.99 117.12 113.75 3i8f n MET 67 Ca -0.01 0.50 0.03 0.00 0.00 0.00 0.00 57.70 58.21 3i8f n MET 67 Cb 0.29 -1.10 0.03 0.00 0.00 0.00 0.00 33.22 32.45 3i8f n MET 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3i8f n GLN 68 N -0.11 0.50 -0.12 2.12 1.13 -1.26 -5.11 117.38 114.53 3i8f n GLN 68 Ca 0.00 -1.04 0.01 0.00 -1.94 0.00 0.00 57.00 54.03 3i8f n GLN 68 Cb 0.00 -1.11 -0.01 0.00 0.11 0.00 0.00 30.24 29.24 3i8f n GLN 68 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i8f n GLY 69 N 0.22 -2.72 3.57 1.08 0.00 -1.26 -5.04 105.19 101.04 3i8f n GLY 69 Ca 0.04 -1.39 -0.26 0.00 0.00 0.00 0.00 46.02 44.40 3i8f n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i8f s GLN 70 N -3.26 1.89 0.10 1.61 1.11 -1.26 -5.01 119.66 114.85 3i8f s GLN 70 Ca 0.00 -1.91 0.04 0.00 0.01 0.00 0.00 55.36 53.50 3i8f s GLN 70 Cb 0.00 -1.75 0.33 0.00 -1.01 0.00 0.00 33.01 30.58 3i8f s GLN 70 CO 0.00 0.12 0.47 1.55 0.01 0.00 0.00 175.29 177.45 3i8f n VAL 71 N -0.84 -0.13 0.26 1.09 3.14 -1.26 0.78 118.33 121.37 3i8f n VAL 71 Ca -0.05 0.63 0.10 0.00 -2.96 0.00 0.00 64.34 62.06 3i8f n VAL 71 Cb 0.63 -0.98 0.68 0.00 -1.06 0.00 0.00 33.84 33.12 3i8f n VAL 71 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 3i8f h PRO 72 N 0.00 0.00 0.00 1.45 0.11 -2.03 -3.48 132.00 128.05 3i8f h PRO 72 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3i8f h PRO 72 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3i8f h PRO 72 CO -0.25 0.07 0.00 0.41 -0.21 0.00 0.00 178.00 178.02 3i8f n GLY 73 N -1.22 0.39 3.68 -0.55 0.00 0.23 -5.00 105.19 102.72 3i8f n GLY 73 Ca -0.03 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.46 3i8f n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i8f s GLU 74 N -0.03 4.22 -0.43 1.61 2.56 -1.26 -4.31 118.70 121.05 3i8f s GLU 74 Ca 0.00 0.32 -0.29 0.00 0.00 0.00 0.00 54.97 55.00 3i8f s GLU 74 Cb 0.00 -3.51 0.02 0.00 2.00 0.00 0.00 34.13 32.63 3i8f s GLU 74 CO 0.00 -0.01 1.29 0.96 -0.56 0.00 0.00 175.26 176.94 3i8f s ILE 75 N 1.20 4.05 -0.39 -3.70 -0.00 -1.26 -4.95 121.20 116.15 3i8f s ILE 75 Ca 0.22 1.08 -0.27 0.00 -0.00 0.00 0.00 60.65 61.67 3i8f s ILE 75 Cb -0.15 -4.37 -0.04 0.00 -0.00 0.00 0.00 42.46 37.90 3i8f s ILE 75 CO 0.09 -0.85 2.06 -0.75 -0.00 0.00 0.00 174.94 175.49 3i8f s LYS 76 N 4.69 2.86 -0.02 0.37 2.20 -1.26 -4.96 119.74 123.62 3i8f s LYS 76 Ca 0.55 1.43 0.06 0.00 -0.36 0.00 0.00 55.97 57.66 3i8f s LYS 76 Cb -0.11 -4.37 -0.02 0.00 -1.51 0.00 0.00 37.83 31.83 3i8f s LYS 76 CO 0.32 -2.42 -0.21 -0.98 -0.36 0.00 0.00 175.35 171.70 3i8f s ARG 77 N 6.70 1.79 0.09 4.03 1.70 -1.26 -5.10 118.95 126.90 3i8f s ARG 77 Ca 0.87 -0.77 -0.36 0.00 -0.47 0.00 0.00 55.73 55.00 3i8f s ARG 77 Cb -0.22 -1.70 -0.17 0.00 -0.57 0.00 0.00 34.95 32.28 3i8f s ARG 77 CO 0.30 0.45 1.17 -0.35 -1.08 0.00 0.00 175.30 175.79 3i8f n PRO 78 N 2.60 0.77 -3.89 3.89 -0.04 -1.26 -4.98 135.00 132.09 3i8f n PRO 78 Ca -0.16 0.28 -0.31 0.00 -0.04 0.00 0.00 63.50 63.27 3i8f n PRO 78 Cb 0.53 -1.80 -0.04 0.00 -0.04 0.00 0.00 33.50 32.14 3i8f n PRO 78 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3i8f s ARG 79 N 0.04 3.46 -0.17 0.54 1.70 -1.26 -5.06 118.95 118.20 3i8f s ARG 79 Ca 0.82 -0.41 0.01 0.00 -0.47 0.00 0.00 55.73 55.68 3i8f s ARG 79 Cb -1.01 -3.01 0.02 0.00 -0.57 0.00 0.00 34.95 30.37 3i8f s ARG 79 CO 0.52 0.59 -0.19 0.71 -1.08 0.00 0.00 175.30 175.84 3i8f s TYR 80 N -1.54 2.69 -0.43 5.89 2.02 -1.26 -3.40 117.35 121.32 3i8f s TYR 80 Ca 0.36 -1.56 -0.18 0.00 -0.37 0.00 0.00 57.07 55.32 3i8f s TYR 80 Cb -0.13 -1.87 0.03 0.00 -0.40 0.00 0.00 41.96 39.59 3i8f s TYR 80 CO 0.28 -0.77 0.46 -1.14 -1.57 0.00 0.00 175.55 172.81 3i8f s GLN 81 N 1.27 3.10 0.01 -0.62 -0.44 0.57 -4.87 119.66 118.69 3i8f s GLN 81 Ca 0.04 -0.77 -0.24 0.00 -2.50 0.00 0.00 55.36 51.89 3i8f s GLN 81 Cb -0.13 -3.98 -0.05 0.00 -1.64 0.00 0.00 33.01 27.21 3i8f s GLN 81 CO -0.12 -0.90 0.75 0.20 0.50 0.00 0.00 175.29 175.72 3i8f s GLY 82 N 1.92 2.74 -0.28 2.59 0.00 -1.25 0.21 107.32 113.25 3i8f s GLY 82 Ca 0.13 0.24 -0.01 0.00 0.00 0.00 0.00 44.72 45.07 3i8f s GLY 82 CO 0.14 1.11 0.08 0.54 0.00 0.00 0.00 173.10 174.96 3i8f s VAL 83 N 0.16 0.74 0.29 1.40 0.11 0.68 -4.86 120.40 118.93 3i8f s VAL 83 Ca 0.38 -1.17 -0.26 0.00 -2.93 0.00 0.00 61.98 58.00 3i8f s VAL 83 Cb -0.20 -1.49 -0.15 0.00 -1.53 0.00 0.00 36.38 33.02 3i8f s VAL 83 CO 0.22 -0.57 0.63 0.59 -3.33 0.00 0.00 175.10 172.63 3i8f n ASN 84 N 4.92 -0.59 -0.11 3.54 5.03 -1.26 -2.16 115.26 124.62 3i8f n ASN 84 Ca -0.04 1.07 0.11 0.00 0.87 0.00 0.00 54.58 56.58 3i8f n ASN 84 Cb 0.43 -1.08 0.59 0.00 -1.02 0.00 0.00 39.78 38.70 3i8f n ASN 84 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i8f n LEU 85 N 1.65 0.34 -0.02 3.41 -0.00 -1.22 -2.37 117.00 118.79 3i8f n LEU 85 Ca 0.14 -0.14 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 3i8f n LEU 85 Cb 0.32 -0.02 -0.09 0.00 -0.00 0.00 0.00 43.42 43.63 3i8f n LEU 85 CO 0.57 0.07 0.64 0.07 -0.00 0.00 0.00 177.39 178.74 3i8f h LYS 86 N 0.47 0.06 0.00 1.47 2.10 -1.09 -1.39 116.57 118.19 3i8f h LYS 86 Ca 0.00 -0.03 -0.17 0.00 -2.00 0.00 0.00 60.65 58.45 3i8f h LYS 86 Cb 0.10 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.41 3i8f h LYS 86 CO 0.00 0.51 -0.81 0.38 -2.00 0.00 0.00 179.45 177.53 3i8f h ASP 87 N -0.39 0.00 -0.82 7.07 2.03 -1.83 -3.18 116.42 119.31 3i8f h ASP 87 Ca 0.00 0.00 0.05 0.00 -0.73 0.00 0.00 57.03 56.35 3i8f h ASP 87 Cb 0.50 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.95 3i8f h ASP 87 CO 0.01 0.81 0.54 0.25 -1.03 0.00 0.00 179.24 179.82 3i8f h LEU 88 N 0.00 0.83 -8.61 0.15 5.85 -1.37 -3.38 115.31 108.80 3i8f h LEU 88 Ca -0.01 -0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.12 3i8f h LEU 88 Cb 1.60 -0.18 -0.10 0.00 0.37 0.00 0.00 40.66 42.35 3i8f h LEU 88 CO 0.11 0.56 0.67 0.00 -0.34 0.00 0.00 178.44 179.43 3i8f s ALA 89 N -5.83 3.17 0.00 1.25 0.00 -0.54 -4.27 121.76 115.55 3i8f s ALA 89 Ca -0.11 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3i8f s ALA 89 Cb 0.19 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3i8f s ALA 89 CO 0.79 -2.26 0.00 2.89 0.00 0.00 0.00 175.76 177.18 3i8f n ARG 90 N 7.50 0.00 -3.36 0.00 1.85 -1.26 -4.94 116.66 116.46 3i8f n ARG 90 Ca 0.06 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.77 3i8f n ARG 90 Cb 0.48 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.81 3i8f n ARG 90 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 3i8f s PHE 91 N 0.00 -0.64 0.73 2.89 -0.71 -1.26 -5.16 117.98 113.83 3i8f s PHE 91 Ca 0.00 -0.11 -0.11 0.00 -1.04 0.00 0.00 56.93 55.67 3i8f s PHE 91 Cb 0.00 -0.34 0.03 0.00 -1.21 0.00 0.00 43.02 41.50 3i8f s PHE 91 CO 0.00 -0.96 1.07 -1.21 -1.34 0.00 0.00 175.22 172.79 3i8f s GLU 92 N 2.25 2.69 0.00 1.99 2.02 -1.26 -4.62 118.70 121.77 3i8f s GLU 92 Ca 0.11 0.76 0.00 0.00 0.02 0.00 0.00 54.97 55.86 3i8f s GLU 92 Cb -0.13 -1.98 0.00 0.00 0.10 0.00 0.00 34.13 32.12 3i8f s GLU 92 CO -0.27 -1.22 0.00 0.41 0.02 0.00 0.00 175.26 174.20 3i8f n GLY 93 N -2.23 2.60 0.00 -1.39 0.00 -1.26 -4.92 105.19 97.99 3i8f n GLY 93 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3i8f n GLY 93 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i8f n GLU 94 N 0.00 0.00 -1.72 1.61 2.13 -1.26 -4.68 120.64 116.72 3i8f n GLU 94 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 3i8f n GLU 94 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 3i8f n GLU 94 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3i8f n VAL 95 N 0.00 0.30 -3.95 6.31 0.24 -1.23 -4.82 118.33 115.18 3i8f n VAL 95 Ca 0.00 -0.07 -0.10 0.00 -2.04 0.00 0.00 64.34 62.13 3i8f n VAL 95 Cb 0.00 -1.92 -0.02 0.00 -1.47 0.00 0.00 33.84 30.42 3i8f n VAL 95 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3i8f s THR 96 N 0.80 0.00 1.43 3.34 -4.23 -1.26 -1.95 115.64 113.76 3i8f s THR 96 Ca 0.72 -1.28 -0.22 0.00 -1.18 0.00 0.00 61.69 59.73 3i8f s THR 96 Cb -0.52 -2.45 0.37 0.00 1.34 0.00 0.00 72.50 71.24 3i8f s THR 96 CO 0.38 0.00 0.92 -2.84 -0.54 0.00 0.00 174.62 172.54 3i8f s PRO 97 N -3.33 -2.97 0.00 3.99 0.02 -1.23 -0.94 135.00 130.54 3i8f s PRO 97 Ca 0.21 0.20 0.00 0.00 0.02 0.00 0.00 61.00 61.43 3i8f s PRO 97 Cb -0.03 -1.37 0.00 0.00 0.02 0.00 0.00 34.50 33.13 3i8f s PRO 97 CO 0.12 -4.92 0.00 -1.91 -0.33 0.00 0.00 177.00 169.96 3i8f n GLU 98 N -5.67 0.00 -0.00 5.54 4.07 -1.26 -4.10 120.64 119.21 3i8f n GLU 98 Ca 0.12 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.10 3i8f n GLU 98 Cb 0.60 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.90 3i8f n GLU 98 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3i8f h LEU 99 N 0.00 0.07 -0.76 4.31 5.85 -1.90 0.35 115.31 123.23 3i8f h LEU 99 Ca 0.00 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.56 3i8f h LEU 99 Cb 0.00 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 3i8f h LEU 99 CO 0.00 0.28 0.43 -0.07 -0.34 0.00 0.00 178.44 178.75 3i8f h LEU 100 N -0.15 0.64 -0.09 2.25 -0.00 -1.19 0.23 115.31 117.00 3i8f h LEU 100 Ca 0.01 0.04 -0.06 0.00 -0.00 0.00 0.00 57.88 57.87 3i8f h LEU 100 Cb 0.24 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 3i8f h LEU 100 CO 0.00 0.39 -0.17 1.62 -0.00 0.00 0.00 178.44 180.27 3i8f h VAL 101 N 0.76 1.40 0.00 1.22 3.04 -1.56 -2.13 116.25 118.99 3i8f h VAL 101 Ca 0.35 -1.47 0.00 0.00 -1.01 0.00 0.00 66.70 64.57 3i8f h VAL 101 Cb 0.27 2.16 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 3i8f h VAL 101 CO -0.22 0.42 0.00 -1.14 -1.01 0.00 0.00 177.57 175.62 3i8f n ARG 102 N -4.57 0.10 -0.11 4.17 0.00 0.11 -3.17 116.66 113.20 3i8f n ARG 102 Ca -0.07 0.22 -0.19 0.00 -0.00 0.00 0.00 57.85 57.80 3i8f n ARG 102 Cb 0.40 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.29 3i8f n ARG 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i8f n ALA 103 N -1.29 1.23 0.00 5.13 0.00 0.76 -5.03 120.51 121.31 3i8f n ALA 103 Ca 0.03 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.57 3i8f n ALA 103 Cb 0.06 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.63 3i8f n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8f n GLY 104 N 1.49 0.00 0.00 0.00 0.00 -0.84 -5.09 105.19 100.75 3i8f n GLY 104 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3i8f n GLY 104 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i8f n LEU 105 N -0.04 0.00 0.00 0.99 4.32 -0.94 -4.89 117.00 116.44 3i8f n LEU 105 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3i8f n LEU 105 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3i8f n LEU 105 CO 0.00 -0.07 0.00 0.18 -1.22 0.00 0.00 177.39 176.28 3i8f n LEU 106 N 0.00 0.00 -1.72 2.23 4.32 -1.26 -3.43 117.00 117.14 3i8f n LEU 106 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.98 3i8f n LEU 106 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3i8f n LEU 106 CO 0.00 0.00 0.03 0.29 -1.22 0.00 0.00 177.39 176.49 3i8f n LYS 107 N 0.00 -0.22 -0.43 3.23 5.02 -1.26 -3.65 118.16 120.85 3i8f n LYS 107 Ca 0.00 0.46 -0.01 0.00 -2.02 0.00 0.00 58.31 56.75 3i8f n LYS 107 Cb 0.00 -2.09 -0.00 0.00 -0.02 0.00 0.00 35.03 32.92 3i8f n LYS 107 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i8f n LYS 108 N -1.32 -1.66 -0.41 1.97 5.02 -1.26 -4.64 118.16 115.87 3i8f n LYS 108 Ca -0.00 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 3i8f n LYS 108 Cb 0.51 -3.22 0.00 0.00 -0.02 0.00 0.00 35.03 32.30 3i8f n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i8f n GLY 109 N 0.04 2.21 4.19 0.72 0.00 -1.24 -4.94 105.19 106.17 3i8f n GLY 109 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3i8f n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3i8f n TYR 110 N 1.51 -0.05 0.00 1.61 9.36 -1.26 -4.27 117.16 124.06 3i8f n TYR 110 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3i8f n TYR 110 Cb 0.43 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.14 3i8f n TYR 110 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3i8f n ARG 111 N 0.00 0.00 -3.78 2.98 3.00 -1.22 -4.30 116.66 113.34 3i8f n ARG 111 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.48 3i8f n ARG 111 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.39 3i8f n ARG 111 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3i8f s LEU 112 N 0.00 4.31 -0.24 0.55 1.98 -1.26 -0.32 118.68 123.70 3i8f s LEU 112 Ca 0.00 0.39 0.02 0.00 -2.89 0.00 0.00 54.13 51.65 3i8f s LEU 112 Cb 0.00 -2.12 0.06 0.00 0.66 0.00 0.00 46.19 44.79 3i8f s LEU 112 CO 0.00 0.29 -0.09 -0.75 -1.89 0.00 0.00 176.35 173.91 3i8f s LYS 113 N -0.36 1.98 0.06 1.98 2.20 0.13 -0.74 119.74 124.99 3i8f s LYS 113 Ca 0.12 -1.13 -0.31 0.00 -0.36 0.00 0.00 55.97 54.30 3i8f s LYS 113 Cb -0.12 -2.71 -0.06 0.00 -1.51 0.00 0.00 37.83 33.44 3i8f s LYS 113 CO 0.02 -0.56 1.23 0.96 -0.36 0.00 0.00 175.35 176.64 3i8f s ILE 114 N 1.26 3.94 0.00 5.43 -4.36 -0.66 -0.23 121.20 126.58 3i8f s ILE 114 Ca -0.07 1.38 0.00 0.00 -0.26 0.00 0.00 60.65 61.71 3i8f s ILE 114 Cb -0.19 -3.89 0.00 0.00 1.25 0.00 0.00 42.46 39.63 3i8f s ILE 114 CO -0.06 0.10 0.00 -0.11 0.24 0.00 0.00 174.94 175.11 3i8f n LEU 115 N 4.06 0.00 0.00 0.37 0.00 -0.92 -2.40 117.00 118.11 3i8f n LEU 115 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.11 3i8f n LEU 115 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.88 3i8f n LEU 115 CO 0.56 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.56 3i8f n GLY 116 N 3.76 0.51 0.00 -3.96 0.00 -1.26 -3.39 105.19 100.85 3i8f n GLY 116 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3i8f n GLY 116 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i8f n GLU 117 N 0.00 0.64 -0.21 1.61 -0.00 -1.26 -4.45 120.64 116.96 3i8f n GLU 117 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 3i8f n GLU 117 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 3i8f n GLU 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3i8f n GLY 118 N 1.13 -0.33 0.00 -1.84 0.00 -1.26 -0.74 105.19 102.15 3i8f n GLY 118 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3i8f n GLY 118 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i8f n GLU 119 N 0.63 0.00 -1.65 1.61 -0.58 -1.26 -4.11 120.64 115.28 3i8f n GLU 119 Ca 0.00 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 3i8f n GLU 119 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 3i8f n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i8f s ALA 120 N 0.00 3.09 0.84 0.62 0.00 -1.26 -4.94 121.76 120.11 3i8f s ALA 120 Ca 0.00 0.99 -0.10 0.00 0.00 0.00 0.00 51.96 52.84 3i8f s ALA 120 Cb 0.00 -3.98 0.10 0.00 0.00 0.00 0.00 23.12 19.24 3i8f s ALA 120 CO 0.00 -2.28 1.11 0.15 0.00 0.00 0.00 175.76 174.74 3i8f s LYS 121 N 5.53 1.71 -0.86 0.00 3.01 -1.26 -4.83 119.74 123.04 3i8f s LYS 121 Ca 0.95 1.28 -0.25 0.00 -1.01 0.00 0.00 55.97 56.94 3i8f s LYS 121 Cb -0.37 -1.83 0.04 0.00 -1.01 0.00 0.00 37.83 34.66 3i8f s LYS 121 CO 0.38 -2.06 1.37 -1.25 0.51 0.00 0.00 175.35 174.30 3i8f s PRO 122 N -4.81 3.34 -0.14 -1.68 0.04 -1.26 -4.75 135.00 125.74 3i8f s PRO 122 Ca 0.63 -0.60 -0.30 0.00 0.04 0.00 0.00 61.00 60.77 3i8f s PRO 122 Cb -0.19 -4.70 0.12 0.00 0.04 0.00 0.00 34.50 29.77 3i8f s PRO 122 CO 0.57 -2.21 0.98 -0.48 0.04 0.00 0.00 177.00 175.90 3i8f s LEU 123 N 5.55 -0.37 -0.28 -3.56 2.34 -1.26 -4.95 118.68 116.16 3i8f s LEU 123 Ca 0.41 0.34 -0.29 0.00 0.06 0.00 0.00 54.13 54.65 3i8f s LEU 123 Cb -0.05 1.88 0.01 0.00 -0.56 0.00 0.00 46.19 47.48 3i8f s LEU 123 CO 0.04 -0.38 1.07 -0.75 -1.06 0.00 0.00 176.35 175.27 3i8f s LYS 124 N -1.43 4.14 -0.26 1.48 2.20 -1.23 -4.30 119.74 120.35 3i8f s LYS 124 Ca -0.01 1.20 -0.04 0.00 -0.36 0.00 0.00 55.97 56.77 3i8f s LYS 124 Cb -0.01 -3.70 0.01 0.00 -1.51 0.00 0.00 37.83 32.63 3i8f s LYS 124 CO 0.00 -0.80 0.00 0.54 -0.36 0.00 0.00 175.35 174.74 3i8f s VAL 125 N 3.49 3.40 -0.32 4.02 0.11 -1.18 -3.51 120.40 126.41 3i8f s VAL 125 Ca 0.45 -0.81 -0.20 0.00 -2.93 0.00 0.00 61.98 58.50 3i8f s VAL 125 Cb -0.14 -2.72 -0.01 0.00 -1.53 0.00 0.00 36.38 31.99 3i8f s VAL 125 CO 0.12 0.18 0.62 -0.69 -3.33 0.00 0.00 175.10 172.00 3i8f s VAL 126 N 1.42 4.93 0.00 2.04 1.01 -0.82 -3.62 120.40 125.36 3i8f s VAL 126 Ca 0.02 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.74 3i8f s VAL 126 Cb -0.16 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.20 3i8f s VAL 126 CO -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 175.10 174.89 3i8f n ALA 127 N 5.91 0.00 -0.01 5.51 0.00 -1.07 -3.50 120.51 127.35 3i8f n ALA 127 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 3i8f n ALA 127 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 3i8f n ALA 127 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3i8f n HIS 128 N 0.00 0.00 -3.55 0.00 8.25 0.08 -2.24 115.22 117.76 3i8f n HIS 128 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 3i8f n HIS 128 Cb 0.00 -0.17 -0.06 0.00 1.12 0.00 0.00 29.99 30.88 3i8f n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i8f s ALA 129 N -2.16 -1.83 0.08 -1.41 0.00 -1.13 -3.72 121.76 111.58 3i8f s ALA 129 Ca -0.02 1.47 0.09 0.00 0.00 0.00 0.00 51.96 53.50 3i8f s ALA 129 Cb 0.02 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 3i8f s ALA 129 CO 0.17 -0.34 -0.23 -0.06 0.00 0.00 0.00 175.76 175.30 3i8f s PHE 130 N -1.02 1.98 0.20 0.00 0.08 -1.26 -1.65 117.98 116.31 3i8f s PHE 130 Ca -0.07 -0.40 -0.30 0.00 0.12 0.00 0.00 56.93 56.28 3i8f s PHE 130 Cb -0.01 -1.12 -0.09 0.00 -0.57 0.00 0.00 43.02 41.23 3i8f s PHE 130 CO 0.06 0.19 1.38 0.45 -0.10 0.00 0.00 175.22 177.20 3i8f s SER 131 N -1.61 6.78 0.36 1.36 0.15 -1.01 -4.77 113.70 114.96 3i8f s SER 131 Ca 0.09 2.50 0.16 0.00 0.70 0.00 0.00 55.95 59.40 3i8f s SER 131 Cb -0.10 -2.61 1.10 0.00 -1.71 0.00 0.00 66.02 62.70 3i8f s SER 131 CO 0.03 -0.62 1.69 0.50 1.20 0.00 0.00 173.24 176.04 3i8f h LYS 132 N 5.55 0.34 0.06 5.44 3.64 -1.99 0.94 116.57 130.55 3i8f h LYS 132 Ca -0.45 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3i8f h LYS 132 Cb 1.21 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3i8f h LYS 132 CO 0.80 0.23 -0.03 1.03 -2.27 0.00 0.00 179.45 179.20 3i8f h SER 133 N 0.35 -0.07 0.22 4.20 0.87 -1.94 -3.11 113.55 114.07 3i8f h SER 133 Ca 0.71 -0.42 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 3i8f h SER 133 Cb 1.68 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.65 3i8f h SER 133 CO -0.50 0.40 -0.17 0.00 -0.53 0.00 0.00 176.83 176.03 3i8f h ALA 134 N 0.34 1.59 -0.65 6.23 0.00 -0.79 -1.88 119.26 124.10 3i8f h ALA 134 Ca -0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3i8f h ALA 134 Cb 0.48 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3i8f h ALA 134 CO 0.01 0.21 0.21 1.25 0.00 0.00 0.00 179.25 180.94 3i8f h LEU 135 N 0.00 0.92 0.54 0.00 7.12 0.75 -3.09 115.31 121.54 3i8f h LEU 135 Ca -0.00 -0.15 -0.03 0.00 0.13 0.00 0.00 57.88 57.83 3i8f h LEU 135 Cb 0.32 -0.24 0.01 0.00 -0.53 0.00 0.00 40.66 40.22 3i8f h LEU 135 CO 0.02 0.85 -0.26 -0.33 -0.13 0.00 0.00 178.44 178.59 3i8f h GLU 136 N 0.96 -0.70 -0.90 1.25 3.07 -1.28 -2.41 114.58 114.57 3i8f h GLU 136 Ca 0.22 0.05 0.28 0.00 -0.50 0.00 0.00 59.36 59.40 3i8f h GLU 136 Cb 0.26 0.16 -0.17 0.00 -0.84 0.00 0.00 28.75 28.16 3i8f h GLU 136 CO -0.01 -0.40 0.13 1.63 -1.40 0.00 0.00 179.01 178.97 3i8f n LYS 137 N -5.29 -0.07 0.04 2.33 5.02 -1.05 0.08 118.16 119.23 3i8f n LYS 137 Ca -0.11 1.32 0.11 0.00 -2.02 0.00 0.00 58.31 57.62 3i8f n LYS 137 Cb 0.32 -2.17 -0.03 0.00 -0.02 0.00 0.00 35.03 33.13 3i8f n LYS 137 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 3i8f n LEU 138 N -5.25 0.55 0.29 -0.35 -0.00 -1.20 -3.51 117.00 107.54 3i8f n LEU 138 Ca 0.24 0.09 0.14 0.00 -0.00 0.00 0.00 56.01 56.49 3i8f n LEU 138 Cb 0.81 -0.06 0.88 0.00 -0.00 0.00 0.00 43.42 45.05 3i8f n LEU 138 CO -0.05 -0.04 1.11 0.50 -0.00 0.00 0.00 177.39 178.92 3i8f h LYS 139 N 0.00 0.00 -1.82 1.47 3.64 0.18 0.79 116.57 120.83 3i8f h LYS 139 Ca 0.00 0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 58.68 3i8f h LYS 139 Cb 0.88 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.37 3i8f h LYS 139 CO 0.00 0.01 0.34 0.00 -2.27 0.00 0.00 179.45 177.52 3i8f n ALA 140 N -2.35 5.92 0.00 5.00 0.00 -0.73 -4.54 120.51 123.82 3i8f n ALA 140 Ca -0.03 -4.22 0.00 0.00 0.00 0.00 0.00 53.44 49.19 3i8f n ALA 140 Cb 0.09 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.12 3i8f n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8f n ALA 141 N -0.50 0.00 -3.42 0.00 0.00 -0.28 -4.99 120.51 111.32 3i8f n ALA 141 Ca 0.48 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.97 3i8f n ALA 141 Cb 0.40 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.86 3i8f n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8f n GLY 142 N -0.16 0.82 3.96 0.00 0.00 0.26 -4.49 105.19 105.58 3i8f n GLY 142 Ca 0.00 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 3i8f n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i8f s GLY 143 N -2.77 1.76 -0.33 -0.02 0.00 -1.26 -4.20 107.32 100.51 3i8f s GLY 143 Ca 0.11 -1.27 -0.07 0.00 0.00 0.00 0.00 44.72 43.50 3i8f s GLY 143 CO 0.02 -0.86 1.16 -1.84 0.00 0.00 0.00 173.10 171.58 3i8f n GLU 144 N -2.72 0.08 -1.61 2.90 -0.00 -1.26 -3.09 120.64 114.94 3i8f n GLU 144 Ca 0.10 -0.69 -0.50 0.00 -0.00 0.00 0.00 57.16 56.07 3i8f n GLU 144 Cb 0.60 0.15 -0.05 0.00 -0.00 0.00 0.00 31.44 32.14 3i8f n GLU 144 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3i8f n PRO 145 N 2.32 1.38 0.00 3.44 -0.02 -1.24 -4.84 135.00 136.04 3i8f n PRO 145 Ca 0.09 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3i8f n PRO 145 Cb 0.67 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3i8f n PRO 145 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3i8f n VAL 146 N 2.45 0.00 0.00 -1.45 3.14 -1.26 -2.58 118.33 118.63 3i8f n VAL 146 Ca 0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.55 3i8f n VAL 146 Cb 0.23 -0.89 0.00 0.00 -1.06 0.00 0.00 33.84 32.12 3i8f n VAL 146 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i8f n LEU 147 N 0.00 0.00 0.00 6.55 -0.00 -0.95 -4.09 117.00 118.51 3i8f n LEU 147 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3i8f n LEU 147 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3i8f n LEU 147 CO 0.00 -1.08 0.00 0.00 -0.00 0.00 0.00 177.39 176.31 3i8f n LEU 148 N 0.00 0.00 0.00 1.47 -0.00 -1.26 -4.93 117.00 112.28 3i8f n LEU 148 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3i8f n LEU 148 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3i8f n LEU 148 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 177.39 175.55 3i8f n GLU 149 N 0.00 0.00 0.00 1.47 0.00 -1.26 -5.09 120.64 115.76 3i8f n GLU 149 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.20 3i8f n GLU 149 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 31.44 31.47 3i8f n GLU 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13