#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6v s GLU -4 N 0.00 1.69 0.41 0.00 2.12 -1.26 -4.59 118.70 117.07 1s6v s GLU -4 Ca 0.00 -2.46 -0.24 0.00 0.36 0.00 0.00 54.97 52.64 1s6v s GLU -4 Cb 0.00 -2.76 -0.12 0.00 0.26 0.00 0.00 34.13 31.52 1s6v s GLU -4 CO 0.00 -1.19 0.78 0.34 -0.54 0.00 0.00 175.26 174.65 1s6v n PHE -3 N 3.05 0.36 -3.69 5.30 7.35 -1.26 -5.02 117.46 123.55 1s6v n PHE -3 Ca 0.12 0.60 -0.19 0.00 -0.76 0.00 0.00 57.45 57.21 1s6v n PHE -3 Cb 0.35 -2.11 -0.17 0.00 0.35 0.00 0.00 39.48 37.89 1s6v n PHE -3 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1s6v s LYS -2 N -1.79 -0.06 0.08 -4.13 2.20 -1.26 -5.02 119.74 109.75 1s6v s LYS -2 Ca 0.63 0.36 -0.37 0.00 -0.36 0.00 0.00 55.97 56.23 1s6v s LYS -2 Cb -0.59 -0.45 -0.17 0.00 -1.51 0.00 0.00 37.83 35.11 1s6v s LYS -2 CO 0.57 -0.30 1.33 0.00 -0.36 0.00 0.00 175.35 176.59 1s6v n ALA -1 N 5.10 -1.10 -3.00 3.13 0.00 -1.26 -4.78 120.51 118.61 1s6v n ALA -1 Ca -0.08 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1s6v n ALA -1 Cb 0.50 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1s6v n ALA -1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s6v n GLY 1 N 2.49 5.11 3.54 0.00 0.00 -1.26 -5.00 105.19 110.07 1s6v n GLY 1 Ca 0.19 -1.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 1s6v n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s6v s SER 2 N 1.00 6.11 0.37 1.61 0.15 -1.26 -4.94 113.70 116.74 1s6v s SER 2 Ca 0.00 -0.32 0.09 0.00 0.70 0.00 0.00 55.95 56.42 1s6v s SER 2 Cb 0.00 -2.16 0.72 0.00 -1.71 0.00 0.00 66.02 62.87 1s6v s SER 2 CO 0.00 -0.27 1.87 0.00 1.20 0.00 0.00 173.24 176.04 1s6v h ALA 3 N 8.47 1.42 -0.05 5.45 0.00 -1.88 -0.84 119.26 131.84 1s6v h ALA 3 Ca -0.31 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 1s6v h ALA 3 Cb 1.15 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1s6v h ALA 3 CO 0.66 0.40 0.01 -0.22 0.00 0.00 0.00 179.25 180.10 1s6v h LYS 4 N 0.20 0.07 -0.67 0.00 3.64 -1.93 0.12 116.57 118.00 1s6v h LYS 4 Ca 0.04 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1s6v h LYS 4 Cb 0.48 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1s6v h LYS 4 CO 0.03 0.28 0.29 -0.22 -2.27 0.00 0.00 179.45 177.56 1s6v h LYS 5 N -0.15 0.97 -0.62 1.90 1.63 -1.87 -1.96 116.57 116.47 1s6v h LYS 5 Ca 0.01 -0.14 0.02 0.00 -0.85 0.00 0.00 60.65 59.69 1s6v h LYS 5 Cb 0.24 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.66 1s6v h LYS 5 CO 0.00 0.77 0.39 0.78 -3.45 0.00 0.00 179.45 177.94 1s6v h GLY 6 N 1.03 0.88 0.97 5.01 0.00 -0.78 -1.16 103.07 109.02 1s6v h GLY 6 Ca 0.23 -0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.27 1s6v h GLY 6 CO -0.02 0.27 0.31 0.00 0.00 0.00 0.00 176.54 177.10 1s6v h ALA 7 N 1.25 0.62 -0.66 3.60 0.00 -0.04 -0.29 119.26 123.74 1s6v h ALA 7 Ca 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1s6v h ALA 7 Cb -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1s6v h ALA 7 CO -0.08 0.04 0.36 1.15 0.00 0.00 0.00 179.25 180.71 1s6v h THR 8 N 0.63 1.21 -0.32 0.00 2.02 -1.07 0.19 112.91 115.57 1s6v h THR 8 Ca 0.18 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 1s6v h THR 8 Cb -0.05 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 1s6v h THR 8 CO -0.05 0.23 0.19 -0.07 0.37 0.00 0.00 175.52 176.18 1s6v h LEU 9 N 0.90 0.38 -0.12 2.58 3.38 -0.78 -1.43 115.31 120.22 1s6v h LEU 9 Ca 0.23 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1s6v h LEU 9 Cb 0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1s6v h LEU 9 CO -0.04 0.33 0.08 0.15 0.09 0.00 0.00 178.44 179.05 1s6v h PHE 10 N 0.40 0.16 -0.91 1.13 3.57 -0.61 0.15 116.94 120.83 1s6v h PHE 10 Ca 0.11 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.69 1s6v h PHE 10 Cb 0.02 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.64 1s6v h PHE 10 CO -0.04 0.13 0.57 -0.22 -2.23 0.00 0.00 178.31 176.52 1s6v h LYS 11 N 0.14 0.98 0.00 1.11 3.64 -0.35 0.26 116.57 122.35 1s6v h LYS 11 Ca 0.04 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 1s6v h LYS 11 Cb 0.02 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 1s6v h LYS 11 CO -0.01 0.65 -1.20 1.79 -2.27 0.00 0.00 179.45 178.41 1s6v h THR 12 N 1.01 0.43 0.00 1.00 1.35 -1.09 -3.36 112.91 112.25 1s6v h THR 12 Ca 0.41 -1.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 1s6v h THR 12 Cb 0.23 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1s6v h THR 12 CO -0.19 0.25 -1.30 0.54 -0.25 0.00 0.00 175.52 174.56 1s6v n ARG 13 N -2.89 0.72 0.00 4.72 5.12 0.51 -4.87 116.66 119.97 1s6v n ARG 13 Ca -0.06 -0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 1s6v n ARG 13 Cb 0.76 -1.18 0.00 0.00 -1.16 0.00 0.00 32.46 30.88 1s6v n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1s6v h LEU 15 N 0.00 0.05 -2.32 0.00 5.85 -1.16 -0.02 115.31 117.71 1s6v h LEU 15 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1s6v h LEU 15 Cb 0.84 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 1s6v h LEU 15 CO 0.00 0.03 0.09 0.06 -0.34 0.00 0.00 178.44 178.28 1s6v h GLN 16 N 0.05 0.00 0.00 1.25 -0.00 -1.85 -3.11 115.11 111.45 1s6v h GLN 16 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.80 1s6v h GLN 16 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.01 1s6v h GLN 16 CO -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 178.83 178.82 1s6v s HIS 18 N -0.63 0.28 0.25 0.00 3.76 -0.15 -0.31 115.29 118.49 1s6v s HIS 18 Ca 0.00 -0.33 0.10 0.00 -0.15 0.00 0.00 55.06 54.68 1s6v s HIS 18 Cb 0.00 -0.19 -0.04 0.00 1.11 0.00 0.00 32.58 33.46 1s6v s HIS 18 CO 0.00 -0.10 -0.07 0.95 -0.85 0.00 0.00 174.74 174.67 1s6v s THR 19 N -0.91 3.14 -0.00 1.30 -4.23 -1.26 -4.27 115.64 109.41 1s6v s THR 19 Ca -0.09 -1.98 0.01 0.00 -1.18 0.00 0.00 61.69 58.45 1s6v s THR 19 Cb -0.06 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.11 1s6v s THR 19 CO -0.00 -0.32 0.02 1.33 -0.54 0.00 0.00 174.62 175.11 1s6v n VAL 20 N -0.62 0.00 -2.00 2.29 0.24 -1.26 0.65 118.33 117.63 1s6v n VAL 20 Ca -0.07 -0.04 -0.39 0.00 -2.04 0.00 0.00 64.34 61.80 1s6v n VAL 20 Cb 0.58 0.50 0.01 0.00 -1.47 0.00 0.00 33.84 33.46 1s6v n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1s6v s GLU 21 N -2.04 3.65 0.20 7.34 1.03 -1.26 -3.30 118.70 124.32 1s6v s GLU 21 Ca -0.00 2.11 -0.33 0.00 0.03 0.00 0.00 54.97 56.78 1s6v s GLU 21 Cb 0.01 -2.52 -0.13 0.00 -0.80 0.00 0.00 34.13 30.69 1s6v s GLU 21 CO 0.04 -0.74 1.64 1.17 -1.33 0.00 0.00 175.26 176.04 1s6v n LYS 22 N -0.39 2.48 -0.96 -4.83 4.81 -1.26 0.38 118.16 118.39 1s6v n LYS 22 Ca 0.07 0.89 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 1s6v n LYS 22 Cb 0.45 -2.69 0.00 0.00 0.02 0.00 0.00 35.03 32.81 1s6v n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1s6v n GLY 23 N 3.47 0.75 3.72 3.14 0.00 -1.26 -5.01 105.19 110.01 1s6v n GLY 23 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1s6v n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s6v s GLY 24 N -2.00 2.29 0.44 -0.02 0.00 0.16 -4.98 107.32 103.21 1s6v s GLY 24 Ca 0.00 0.83 -0.22 0.00 0.00 0.00 0.00 44.72 45.33 1s6v s GLY 24 CO 0.00 1.23 1.01 2.56 0.00 0.00 0.00 173.10 177.90 1s6v s PRO 25 N -3.98 4.06 0.52 2.90 0.04 -1.26 -4.82 135.00 132.46 1s6v s PRO 25 Ca 0.73 1.32 -0.18 0.00 0.04 0.00 0.00 61.00 62.91 1s6v s PRO 25 Cb -0.28 -2.26 -0.07 0.00 0.04 0.00 0.00 34.50 31.93 1s6v s PRO 25 CO 0.46 -0.20 1.02 -1.01 0.04 0.00 0.00 177.00 177.31 1s6v s HIS 26 N -1.95 3.12 0.00 0.56 3.76 -1.26 -4.44 115.29 115.09 1s6v s HIS 26 Ca 0.63 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 57.07 1s6v s HIS 26 Cb -0.16 -2.97 0.00 0.00 1.11 0.00 0.00 32.58 30.57 1s6v s HIS 26 CO 0.20 -0.76 0.00 1.63 -0.85 0.00 0.00 174.74 174.96 1s6v n LYS 27 N -1.43 0.62 -0.31 1.40 5.02 -1.26 -4.96 118.16 117.24 1s6v n LYS 27 Ca 0.08 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.37 1s6v n LYS 27 Cb 0.53 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.66 1s6v n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1s6v h VAL 28 N 0.00 1.09 -1.67 -0.18 2.07 -1.84 -3.43 116.25 112.30 1s6v h VAL 28 Ca 0.00 -0.35 -0.57 0.00 0.82 0.00 0.00 66.70 66.61 1s6v h VAL 28 Cb 0.00 -0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 29.68 1s6v h VAL 28 CO 0.00 0.18 -0.52 -0.83 0.02 0.00 0.00 177.57 176.43 1s6v s GLY 29 N -3.10 2.26 0.75 2.17 0.00 0.57 -5.07 107.32 104.91 1s6v s GLY 29 Ca -0.13 -2.07 -0.15 0.00 0.00 0.00 0.00 44.72 42.38 1s6v s GLY 29 CO 0.79 -1.90 1.24 -1.05 0.00 0.00 0.00 173.10 172.18 1s6v n PRO 30 N -1.19 0.51 -2.50 2.90 -0.02 -1.26 -4.61 135.00 128.84 1s6v n PRO 30 Ca -0.02 0.25 -0.38 0.00 -2.02 0.00 0.00 63.50 61.33 1s6v n PRO 30 Cb 0.64 -2.47 -0.04 0.00 -0.02 0.00 0.00 33.50 31.61 1s6v n PRO 30 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1s6v s ASN 31 N -1.85 6.94 0.00 2.55 3.84 -1.26 -4.13 114.94 121.02 1s6v s ASN 31 Ca 0.77 2.15 0.24 0.00 0.21 0.00 0.00 52.86 56.22 1s6v s ASN 31 Cb -0.32 -2.60 0.43 0.00 -0.55 0.00 0.00 41.25 38.20 1s6v s ASN 31 CO 0.47 -0.37 1.40 0.18 -2.79 0.00 0.00 177.10 175.99 1s6v n LEU 32 N 0.44 2.96 -4.63 3.21 4.77 0.21 -4.93 117.00 119.03 1s6v n LEU 32 Ca 0.03 -1.16 -0.47 0.00 -0.03 0.00 0.00 56.01 54.38 1s6v n LEU 32 Cb 0.47 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 1s6v n LEU 32 CO 0.49 0.58 0.91 1.57 -1.33 0.00 0.00 177.39 179.61 1s6v n HIS 33 N 1.22 1.83 -1.37 -1.77 -0.00 -1.21 -1.37 115.22 112.55 1s6v n HIS 33 Ca 0.17 0.52 -0.13 0.00 0.46 0.00 0.00 57.72 58.74 1s6v n HIS 33 Cb 0.56 -2.39 -0.06 0.00 -0.12 0.00 0.00 29.99 27.98 1s6v n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1s6v n GLY 34 N 2.21 1.30 0.30 1.57 0.00 0.35 -4.90 105.19 106.03 1s6v n GLY 34 Ca 0.14 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.01 1s6v n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1s6v h ILE 35 N 0.00 0.94 -2.94 -0.61 6.09 -1.47 -3.37 117.51 116.16 1s6v h ILE 35 Ca -0.26 -0.27 -0.54 0.00 -1.37 0.00 0.00 64.86 62.41 1s6v h ILE 35 Cb 1.03 0.07 -0.01 0.00 0.47 0.00 0.00 36.82 38.39 1s6v h ILE 35 CO 0.39 0.15 0.81 -0.36 -3.07 0.00 0.00 178.15 176.06 1s6v s PHE 36 N -6.05 2.91 0.00 2.19 0.40 -1.26 -2.19 117.98 113.98 1s6v s PHE 36 Ca -0.12 0.89 0.00 0.00 -0.60 0.00 0.00 56.93 57.10 1s6v s PHE 36 Cb 0.18 -3.62 0.00 0.00 0.51 0.00 0.00 43.02 40.10 1s6v s PHE 36 CO 0.78 -2.23 0.00 0.41 0.70 0.00 0.00 175.22 174.87 1s6v n GLY 37 N 3.59 0.46 3.71 4.36 0.00 0.91 -5.01 105.19 113.22 1s6v n GLY 37 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1s6v n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s6v s ARG 38 N -0.88 2.63 0.82 1.61 0.52 -0.93 -4.85 118.95 117.87 1s6v s ARG 38 Ca 0.00 -0.82 -0.12 0.00 -0.52 0.00 0.00 55.73 54.28 1s6v s ARG 38 Cb 0.00 -2.58 0.08 0.00 0.52 0.00 0.00 34.95 32.97 1s6v s ARG 38 CO 0.00 0.54 1.11 -1.01 0.02 0.00 0.00 175.30 175.96 1s6v s HIS 39 N -1.36 2.79 0.46 -0.53 3.76 -1.26 -1.94 115.29 117.20 1s6v s HIS 39 Ca 0.27 1.09 -0.23 0.00 -0.15 0.00 0.00 55.06 56.03 1s6v s HIS 39 Cb -0.12 -3.18 -0.07 0.00 1.11 0.00 0.00 32.58 30.32 1s6v s HIS 39 CO 0.19 -1.86 1.17 -1.54 -0.85 0.00 0.00 174.74 171.85 1s6v s SER 40 N -3.95 6.18 -1.18 1.40 1.04 -0.33 -3.92 113.70 112.94 1s6v s SER 40 Ca 0.61 2.32 -0.01 0.00 0.48 0.00 0.00 55.95 59.36 1s6v s SER 40 Cb -0.14 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1s6v s SER 40 CO 0.54 -0.91 0.99 0.61 0.98 0.00 0.00 173.24 175.45 1s6v n GLY 41 N 0.47 -0.35 0.00 7.32 0.00 -1.26 -4.55 105.19 106.82 1s6v n GLY 41 Ca 0.07 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1s6v n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s6v n GLN 42 N -4.12 0.67 -1.68 1.61 1.13 -1.25 -4.81 117.38 108.93 1s6v n GLN 42 Ca -0.25 -0.71 -0.46 0.00 -1.94 0.00 0.00 57.00 53.64 1s6v n GLN 42 Cb 0.65 -0.78 -0.04 0.00 0.11 0.00 0.00 30.24 30.18 1s6v n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s6v n ALA 43 N -0.15 1.24 -1.58 -1.58 0.00 -1.26 -4.79 120.51 112.38 1s6v n ALA 43 Ca 0.00 0.33 -0.51 0.00 0.00 0.00 0.00 53.44 53.26 1s6v n ALA 43 Cb 0.25 -2.48 -0.06 0.00 0.00 0.00 0.00 19.45 17.16 1s6v n ALA 43 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1s6v n GLU 44 N 5.57 1.48 -1.01 0.00 2.13 -1.26 -2.29 120.64 125.26 1s6v n GLU 44 Ca 0.20 0.49 -0.00 0.00 0.66 0.00 0.00 57.16 58.51 1s6v n GLU 44 Cb 0.31 -2.48 -0.00 0.00 0.27 0.00 0.00 31.44 29.54 1s6v n GLU 44 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1s6v n GLY 45 N 5.34 0.46 3.67 8.31 0.00 -1.26 -5.02 105.19 116.69 1s6v n GLY 45 Ca 0.32 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1s6v n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1s6v s TYR 46 N -1.99 3.09 -0.58 1.61 5.04 -0.97 -5.07 117.35 118.48 1s6v s TYR 46 Ca 0.00 0.12 -0.20 0.00 -2.44 0.00 0.00 57.07 54.56 1s6v s TYR 46 Cb 0.00 -1.73 0.09 0.00 0.35 0.00 0.00 41.96 40.67 1s6v s TYR 46 CO 0.00 0.45 0.73 -1.12 -1.34 0.00 0.00 175.55 174.27 1s6v s SER 47 N -1.14 6.19 0.60 4.32 0.01 -1.26 -4.88 113.70 117.54 1s6v s SER 47 Ca 0.16 -1.22 -0.03 0.00 1.31 0.00 0.00 55.95 56.17 1s6v s SER 47 Cb -0.11 -2.32 0.04 0.00 0.21 0.00 0.00 66.02 63.83 1s6v s SER 47 CO 0.05 -1.11 0.87 -0.31 0.41 0.00 0.00 173.24 173.15 1s6v s TYR 48 N 2.91 2.98 0.62 2.43 1.51 -1.26 -5.08 117.35 121.46 1s6v s TYR 48 Ca 0.14 0.28 -0.09 0.00 -1.01 0.00 0.00 57.07 56.39 1s6v s TYR 48 Cb -0.22 -2.87 -0.01 0.00 -0.11 0.00 0.00 41.96 38.75 1s6v s TYR 48 CO 0.08 -1.01 0.99 0.95 -1.11 0.00 0.00 175.55 175.45 1s6v s THR 49 N -2.95 4.13 0.23 -0.71 -4.23 -1.26 -4.96 115.64 105.89 1s6v s THR 49 Ca 0.57 0.47 -0.01 0.00 -1.18 0.00 0.00 61.69 61.54 1s6v s THR 49 Cb -0.10 -3.66 0.01 0.00 1.34 0.00 0.00 72.50 70.09 1s6v s THR 49 CO 0.42 -0.80 1.62 0.44 -0.54 0.00 0.00 174.62 175.76 1s6v h ASP 50 N -0.32 0.58 -0.06 3.99 3.32 -1.98 -2.81 116.42 119.13 1s6v h ASP 50 Ca -0.45 -0.24 0.03 0.00 0.02 0.00 0.00 57.03 56.39 1s6v h ASP 50 Cb 1.23 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 1s6v h ASP 50 CO 0.62 0.89 -0.13 0.00 -1.72 0.00 0.00 179.24 178.90 1s6v h ALA 51 N 1.14 -0.10 -0.85 3.45 0.00 -1.89 1.13 119.26 122.14 1s6v h ALA 51 Ca 0.05 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1s6v h ALA 51 Cb 0.85 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1s6v h ALA 51 CO 0.07 -0.60 0.42 -0.97 0.00 0.00 0.00 179.25 178.17 1s6v h ASN 52 N -0.19 1.11 -0.15 0.00 -1.24 -1.88 0.43 115.58 113.66 1s6v h ASN 52 Ca 0.07 -0.13 -0.08 0.00 0.71 0.00 0.00 56.30 56.87 1s6v h ASN 52 Cb 0.28 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 1s6v h ASN 52 CO -0.18 0.93 -0.20 0.40 -1.29 0.00 0.00 177.43 177.09 1s6v h ILE 53 N 1.21 1.35 0.00 2.57 2.04 -1.17 -3.18 117.51 120.34 1s6v h ILE 53 Ca 0.29 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.74 1s6v h ILE 53 Cb 0.10 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1s6v h ILE 53 CO -0.04 0.42 0.00 0.11 0.00 0.00 0.00 178.15 178.64 1s6v h LYS 54 N 0.02 0.00 -0.74 2.37 1.57 0.16 -2.27 116.57 117.68 1s6v h LYS 54 Ca 0.02 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1s6v h LYS 54 Cb 0.76 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.03 1s6v h LYS 54 CO 0.05 0.00 0.48 -0.22 -0.57 0.00 0.00 179.45 179.19 1s6v h LYS 55 N 0.00 0.79 -6.05 3.15 1.63 -0.89 -3.46 116.57 111.74 1s6v h LYS 55 Ca 0.00 -0.05 -0.42 0.00 -0.85 0.00 0.00 60.65 59.33 1s6v h LYS 55 Cb 0.36 -0.18 0.06 0.00 -0.60 0.00 0.00 32.23 31.87 1s6v h LYS 55 CO 0.00 0.52 -0.76 -1.71 -3.45 0.00 0.00 179.45 174.05 1s6v n ASN 56 N -4.47 -3.80 -4.73 4.20 2.85 -0.86 -4.99 115.26 103.45 1s6v n ASN 56 Ca 0.10 -0.71 -0.32 0.00 -0.11 0.00 0.00 54.58 53.54 1s6v n ASN 56 Cb 0.19 -4.37 -0.08 0.00 1.24 0.00 0.00 39.78 36.76 1s6v n ASN 56 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1s6v s VAL 57 N -3.41 4.38 -0.48 3.44 -7.23 -1.26 -4.86 120.40 110.98 1s6v s VAL 57 Ca 0.37 -0.63 -0.25 0.00 -1.81 0.00 0.00 61.98 59.67 1s6v s VAL 57 Cb -0.18 -3.02 0.03 0.00 0.56 0.00 0.00 36.38 33.77 1s6v s VAL 57 CO 0.79 0.29 0.91 -0.22 -0.31 0.00 0.00 175.10 176.55 1s6v s LEU 58 N -1.87 4.07 0.11 1.32 0.20 -1.26 -1.19 118.68 120.05 1s6v s LEU 58 Ca 0.23 -0.04 -0.31 0.00 0.69 0.00 0.00 54.13 54.70 1s6v s LEU 58 Cb -0.12 -3.06 -0.10 0.00 -0.43 0.00 0.00 46.19 42.48 1s6v s LEU 58 CO 0.15 -1.08 1.74 0.26 -0.29 0.00 0.00 176.35 177.13 1s6v s TRP 59 N 3.74 2.33 0.22 5.38 0.23 -0.82 -4.85 118.94 125.17 1s6v s TRP 59 Ca 0.34 0.17 -0.00 0.00 -2.03 0.00 0.00 56.10 54.58 1s6v s TRP 59 Cb -0.11 -4.07 -0.04 0.00 0.03 0.00 0.00 33.47 29.28 1s6v s TRP 59 CO 0.24 -4.36 0.14 0.16 0.96 0.00 0.00 176.95 174.09 1s6v s ASP 60 N 2.46 0.37 0.41 2.95 3.84 -1.26 -0.06 116.67 125.37 1s6v s ASP 60 Ca 0.77 -1.42 0.17 0.00 -0.00 0.00 0.00 52.55 52.07 1s6v s ASP 60 Cb -0.43 0.38 1.07 0.00 -1.38 0.00 0.00 42.92 42.55 1s6v s ASP 60 CO 0.34 -0.85 1.84 -0.33 -0.00 0.00 0.00 175.17 176.17 1s6v h GLU 61 N 2.56 0.41 0.01 2.11 5.08 -1.99 -1.26 114.58 121.50 1s6v h GLU 61 Ca -0.35 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 1s6v h GLU 61 Cb 1.25 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1s6v h GLU 61 CO 0.52 0.27 -0.10 -0.91 -1.00 0.00 0.00 179.01 177.80 1s6v h ASN 62 N 0.42 0.07 -0.22 1.42 2.35 -1.96 -3.04 115.58 114.62 1s6v h ASN 62 Ca 0.49 -0.89 0.06 0.00 -0.55 0.00 0.00 56.30 55.41 1s6v h ASN 62 Cb 1.21 -0.02 -0.07 0.00 0.05 0.00 0.00 38.32 39.49 1s6v h ASN 62 CO -0.20 0.95 -0.22 0.78 -1.65 0.00 0.00 177.43 177.09 1s6v h ASN 63 N -0.81 -0.71 -0.96 5.81 -0.26 -1.76 -2.43 115.58 114.45 1s6v h ASN 63 Ca -0.01 0.13 0.12 0.00 -0.56 0.00 0.00 56.30 55.97 1s6v h ASN 63 Cb 0.98 0.34 -0.08 0.00 -1.06 0.00 0.00 38.32 38.49 1s6v h ASN 63 CO 0.02 -0.26 0.59 -0.03 -1.06 0.00 0.00 177.43 176.69 1s6v h MET 64 N -0.24 0.91 -0.50 0.81 4.05 -1.35 -0.75 114.93 117.87 1s6v h MET 64 Ca 0.13 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.39 1s6v h MET 64 Cb 0.44 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 1s6v h MET 64 CO -0.36 0.60 -0.09 1.03 0.23 0.00 0.00 176.91 178.32 1s6v h SER 65 N 0.94 0.94 -0.59 1.39 0.87 -1.32 -0.35 113.55 115.42 1s6v h SER 65 Ca 0.48 -0.35 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 1s6v h SER 65 Cb 0.48 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 1s6v h SER 65 CO -0.27 1.06 0.26 -0.08 -0.53 0.00 0.00 176.83 177.28 1s6v h GLU 66 N 0.79 0.87 0.08 2.24 4.81 -0.87 -1.81 114.58 120.69 1s6v h GLU 66 Ca 0.13 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1s6v h GLU 66 Cb 0.64 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1s6v h GLU 66 CO 0.04 0.72 -0.04 -0.92 -0.73 0.00 0.00 179.01 178.09 1s6v h TYR 67 N 0.81 -0.10 0.00 0.92 3.20 -0.99 -2.96 116.97 117.85 1s6v h TYR 67 Ca 0.20 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1s6v h TYR 67 Cb 0.16 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.46 1s6v h TYR 67 CO 0.00 0.15 0.00 1.28 -1.64 0.00 0.00 178.16 177.95 1s6v n LEU 68 N -5.03 0.03 0.06 2.82 4.77 -0.16 -0.67 117.00 118.83 1s6v n LEU 68 Ca -0.08 0.51 -0.12 0.00 -0.03 0.00 0.00 56.01 56.29 1s6v n LEU 68 Cb 0.16 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 40.73 1s6v n LEU 68 CO 0.33 -0.39 0.26 0.74 -1.33 0.00 0.00 177.39 177.00 1s6v h THR 69 N 0.00 1.39 -0.59 -5.08 2.02 -1.15 0.70 112.91 110.20 1s6v h THR 69 Ca 0.00 -2.31 -0.02 0.00 0.77 0.00 0.00 66.41 64.85 1s6v h THR 69 Cb 0.13 2.27 -0.17 0.00 -1.74 0.00 0.00 68.15 68.65 1s6v h THR 69 CO 0.00 0.69 -0.29 0.21 0.37 0.00 0.00 175.52 176.50 1s6v s ASN 70 N -7.03 -0.88 0.21 4.18 3.84 -0.50 -4.01 114.94 110.76 1s6v s ASN 70 Ca -0.06 -0.77 -0.16 0.00 0.21 0.00 0.00 52.86 52.07 1s6v s ASN 70 Cb 0.10 1.14 0.22 0.00 -0.55 0.00 0.00 41.25 42.15 1s6v s ASN 70 CO 0.85 -0.06 1.59 -0.65 -2.79 0.00 0.00 177.10 176.04 1s6v h PRO 71 N 5.29 -0.07 0.00 0.43 0.11 -1.11 -1.92 132.00 134.73 1s6v h PRO 71 Ca 0.02 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 1s6v h PRO 71 Cb 1.17 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1s6v h PRO 71 CO -0.02 -0.05 -0.12 0.87 -0.21 0.00 0.00 178.00 178.47 1s6v h LYS 72 N -0.08 0.00 0.05 1.05 1.57 -1.83 -0.22 116.57 117.11 1s6v h LYS 72 Ca 0.30 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.85 1s6v h LYS 72 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1s6v h LYS 72 CO -0.75 0.12 -1.05 -0.22 -0.57 0.00 0.00 179.45 176.98 1s6v h LYS 73 N 0.00 0.14 0.08 3.15 3.64 -1.74 -2.21 116.57 119.63 1s6v h LYS 73 Ca -0.00 -0.21 -0.17 0.00 -1.27 0.00 0.00 60.65 59.00 1s6v h LYS 73 Cb 0.46 0.07 0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1s6v h LYS 73 CO 0.02 1.06 -0.70 -0.92 -2.27 0.00 0.00 179.45 176.64 1s6v h TYR 74 N 0.05 0.56 -2.52 1.91 3.20 -1.01 -3.38 116.97 115.78 1s6v h TYR 74 Ca -0.06 -0.36 -0.60 0.00 3.14 0.00 0.00 58.73 60.85 1s6v h TYR 74 Cb 1.77 -0.04 -0.41 0.00 1.54 0.00 0.00 36.73 39.58 1s6v h TYR 74 CO 0.03 1.23 -0.69 -0.89 -1.64 0.00 0.00 178.16 176.20 1s6v n ILE 75 N -4.18 1.33 -1.54 1.81 5.41 -0.15 -5.08 119.36 116.96 1s6v n ILE 75 Ca -0.12 -4.74 -0.46 0.00 1.00 0.00 0.00 62.75 58.42 1s6v n ILE 75 Cb 0.75 -2.07 -0.02 0.00 -0.71 0.00 0.00 39.64 37.59 1s6v n ILE 75 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1s6v n PRO 76 N 1.55 0.98 -0.58 0.38 -0.02 -0.83 -1.04 135.00 135.45 1s6v n PRO 76 Ca 0.25 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1s6v n PRO 76 Cb 0.41 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 1s6v n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s6v n GLY 77 N 1.53 1.21 3.73 -1.23 0.00 -1.26 -4.85 105.19 104.31 1s6v n GLY 77 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1s6v n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1s6v s THR 78 N -3.34 2.09 -0.78 2.61 -1.32 -0.21 -4.86 115.64 109.84 1s6v s THR 78 Ca 0.00 0.05 0.26 0.00 -1.21 0.00 0.00 61.69 60.79 1s6v s THR 78 Cb 0.00 -2.93 0.23 0.00 -1.51 0.00 0.00 72.50 68.29 1s6v s THR 78 CO 0.00 -0.01 1.72 0.29 -2.21 0.00 0.00 174.62 174.40 1s6v n LYS 79 N -2.09 0.21 -1.79 7.08 5.02 -1.26 -4.85 118.16 120.47 1s6v n LYS 79 Ca 0.15 0.15 -0.42 0.00 -2.02 0.00 0.00 58.31 56.17 1s6v n LYS 79 Cb 0.49 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 1s6v n LYS 79 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1s6v s MET 80 N -3.09 4.10 -0.74 1.97 1.75 -1.26 -4.93 119.30 117.10 1s6v s MET 80 Ca 0.11 2.42 -0.19 0.00 -1.25 0.00 0.00 55.69 56.78 1s6v s MET 80 Cb 0.14 -4.11 0.12 0.00 2.84 0.00 0.00 34.83 33.82 1s6v s MET 80 CO 0.61 -0.98 0.88 0.00 -0.65 0.00 0.00 175.02 174.88 1s6v s PHE 82 N 2.55 -1.06 0.36 0.00 5.36 -1.26 -5.05 117.98 118.89 1s6v s PHE 82 Ca 0.20 1.93 0.05 0.00 -0.96 0.00 0.00 56.93 58.16 1s6v s PHE 82 Cb -0.15 0.63 0.68 0.00 -0.34 0.00 0.00 43.02 43.85 1s6v s PHE 82 CO -0.00 -0.52 1.93 0.78 -1.46 0.00 0.00 175.22 175.94 1s6v h GLY 83 N 7.40 0.55 0.00 13.12 0.00 -1.97 -3.40 103.07 118.78 1s6v h GLY 83 Ca -0.22 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1s6v h GLY 83 CO 0.12 0.27 0.00 0.61 0.00 0.00 0.00 176.54 177.55 1s6v n GLY 84 N -1.05 2.79 3.33 4.60 0.00 -1.26 -4.45 105.19 109.15 1s6v n GLY 84 Ca 0.02 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 1s6v n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s6v s LEU 85 N 0.00 5.23 0.33 0.99 1.43 0.24 -4.94 118.68 121.97 1s6v s LEU 85 Ca 0.00 -1.36 0.26 0.00 -1.03 0.00 0.00 54.13 52.01 1s6v s LEU 85 Cb 0.00 -2.06 0.96 0.00 0.03 0.00 0.00 46.19 45.13 1s6v s LEU 85 CO 0.00 -0.55 1.78 0.11 0.23 0.00 0.00 176.35 177.92 1s6v h LYS 86 N 8.52 0.00 -5.47 1.70 1.79 -1.83 -3.38 116.57 117.90 1s6v h LYS 86 Ca -0.25 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.61 1s6v h LYS 86 Cb 1.10 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.63 1s6v h LYS 86 CO 0.78 0.00 -0.01 0.15 -1.08 0.00 0.00 179.45 179.29 1s6v s LYS 87 N -3.34 4.14 0.19 3.15 1.02 -1.26 -4.95 119.74 118.69 1s6v s LYS 87 Ca 0.05 0.39 -0.13 0.00 0.02 0.00 0.00 55.97 56.30 1s6v s LYS 87 Cb 0.09 -3.60 0.21 0.00 -0.52 0.00 0.00 37.83 34.01 1s6v s LYS 87 CO 0.50 -0.25 1.67 1.49 -0.92 0.00 0.00 175.35 177.85 1s6v h GLU 88 N 7.70 0.09 -0.81 1.68 4.57 -2.00 -0.40 114.58 125.40 1s6v h GLU 88 Ca -0.31 -0.01 0.11 0.00 -1.18 0.00 0.00 59.36 57.97 1s6v h GLU 88 Cb 1.15 -0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 29.64 1s6v h GLU 88 CO 0.73 0.06 0.44 -0.22 -1.18 0.00 0.00 179.01 178.85 1s6v h LYS 89 N 0.09 0.69 -0.26 1.92 3.64 -1.97 0.17 116.57 120.86 1s6v h LYS 89 Ca 0.27 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1s6v h LYS 89 Cb 0.41 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1s6v h LYS 89 CO -0.46 0.46 0.10 -0.44 -2.27 0.00 0.00 179.45 176.84 1s6v h ASP 90 N 0.71 0.35 -0.45 4.20 3.32 -1.53 -0.59 116.42 122.44 1s6v h ASP 90 Ca 0.41 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.33 1s6v h ASP 90 Cb 0.45 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 1s6v h ASP 90 CO -0.28 0.42 0.24 0.03 -1.72 0.00 0.00 179.24 177.92 1s6v h ARG 91 N 0.26 0.46 -0.57 3.56 3.08 0.04 0.99 114.38 122.20 1s6v h ARG 91 Ca 0.09 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1s6v h ARG 91 Cb 0.17 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1s6v h ARG 91 CO -0.01 0.30 0.26 -0.91 -1.07 0.00 0.00 179.97 178.55 1s6v h ASN 92 N 0.47 0.75 -0.47 7.04 2.35 -0.57 -0.20 115.58 124.96 1s6v h ASN 92 Ca 0.19 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1s6v h ASN 92 Cb 0.08 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1s6v h ASN 92 CO -0.12 0.68 0.13 0.44 -1.65 0.00 0.00 177.43 176.91 1s6v h ASP 93 N 0.77 0.69 -0.14 5.81 3.32 -0.70 -1.03 116.42 125.14 1s6v h ASP 93 Ca 0.19 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 57.04 1s6v h ASP 93 Cb 0.13 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1s6v h ASP 93 CO -0.02 0.73 0.05 0.25 -1.72 0.00 0.00 179.24 178.53 1s6v h LEU 94 N 0.62 0.06 -0.87 1.55 5.85 -0.48 -1.58 115.31 120.47 1s6v h LEU 94 Ca 0.15 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 1s6v h LEU 94 Cb 0.29 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1s6v h LEU 94 CO -0.00 0.06 -0.06 0.40 -0.34 0.00 0.00 178.44 178.50 1s6v h ILE 95 N 0.12 1.25 -0.65 4.05 2.04 -0.98 0.51 117.51 123.85 1s6v h ILE 95 Ca 0.06 -1.09 0.04 0.00 1.00 0.00 0.00 64.86 64.87 1s6v h ILE 95 Cb 0.03 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 1s6v h ILE 95 CO -0.06 0.38 0.39 0.74 0.00 0.00 0.00 178.15 179.60 1s6v h THR 96 N 0.72 1.04 -0.18 -0.27 2.02 -0.80 0.22 112.91 115.66 1s6v h THR 96 Ca 0.13 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 1s6v h THR 96 Cb 0.52 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1s6v h THR 96 CO 0.03 0.14 -0.11 0.22 0.37 0.00 0.00 175.52 176.17 1s6v h TYR 97 N 0.75 0.46 0.10 3.16 5.03 -0.79 -3.12 116.97 122.55 1s6v h TYR 97 Ca 0.27 -0.12 0.00 0.00 2.58 0.00 0.00 58.73 61.46 1s6v h TYR 97 Cb 0.08 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.24 1s6v h TYR 97 CO -0.06 0.72 -0.08 1.25 -1.32 0.00 0.00 178.16 178.67 1s6v h LEU 98 N 0.07 -0.22 -1.08 2.82 5.85 -0.27 0.20 115.31 122.68 1s6v h LEU 98 Ca 0.04 0.02 0.22 0.00 0.84 0.00 0.00 57.88 59.00 1s6v h LEU 98 Cb 0.61 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.60 1s6v h LEU 98 CO 0.03 -0.13 0.61 0.07 -0.34 0.00 0.00 178.44 178.68 1s6v h LYS 99 N -0.19 0.61 0.01 1.25 2.10 -0.65 -0.51 116.57 119.18 1s6v h LYS 99 Ca 0.00 -0.04 -0.08 0.00 -2.00 0.00 0.00 60.65 58.53 1s6v h LYS 99 Cb 0.18 -0.14 0.01 0.00 -0.90 0.00 0.00 32.23 31.38 1s6v h LYS 99 CO -0.02 0.40 -0.32 -0.22 -2.00 0.00 0.00 179.45 177.30 1s6v h LYS 100 N 0.63 0.20 0.00 0.07 1.63 -1.28 -3.11 116.57 114.71 1s6v h LYS 100 Ca 0.60 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 60.17 1s6v h LYS 100 Cb 1.12 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1s6v h LYS 100 CO -0.39 0.97 0.00 0.00 -3.45 0.00 0.00 179.45 176.57 1s6v h ALA 101 N 0.24 1.00 -0.01 5.00 0.00 -0.13 -3.15 119.26 122.21 1s6v h ALA 101 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1s6v h ALA 101 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1s6v h ALA 101 CO 0.06 0.00 -0.26 0.25 0.00 0.00 0.00 179.25 179.30 1s6v n THR 102 N -2.83 0.00 0.00 0.00 -2.24 -0.25 -4.47 114.28 104.50 1s6v n THR 102 Ca 0.02 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1s6v n THR 102 Cb 0.32 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 1s6v n THR 102 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71