#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1csx n GLU -4 N 0.00 0.00 -3.79 -0.78 1.02 -1.26 -5.04 120.64 110.79 1csx n GLU -4 Ca 0.00 -1.09 -0.14 0.00 -0.02 0.00 0.00 57.16 55.90 1csx n GLU -4 Cb 0.00 -0.20 -0.16 0.00 -0.02 0.00 0.00 31.44 31.07 1csx n GLU -4 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1csx s PHE -3 N 0.00 0.03 -0.02 -0.32 5.36 -1.26 -5.03 117.98 116.73 1csx s PHE -3 Ca 0.09 0.10 0.03 0.00 -0.96 0.00 0.00 56.93 56.19 1csx s PHE -3 Cb 0.10 -0.19 -0.00 0.00 -0.34 0.00 0.00 43.02 42.59 1csx s PHE -3 CO -0.04 -0.07 -0.11 0.15 -1.46 0.00 0.00 175.22 173.69 1csx s LYS -2 N 0.86 1.04 0.40 10.12 1.02 -1.26 -5.07 119.74 126.85 1csx s LYS -2 Ca -0.07 -0.37 -0.23 0.00 0.02 0.00 0.00 55.97 55.32 1csx s LYS -2 Cb -0.10 -0.97 -0.13 0.00 -0.52 0.00 0.00 37.83 36.10 1csx s LYS -2 CO -0.02 0.16 0.55 0.00 -0.92 0.00 0.00 175.35 175.12 1csx n ALA -1 N 3.14 -1.57 -3.00 5.17 0.00 -1.26 -4.76 120.51 118.22 1csx n ALA -1 Ca -0.17 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1csx n ALA -1 Cb 0.55 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1csx n ALA -1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1csx n GLY 1 N 1.79 5.29 3.63 0.00 0.00 -1.26 -4.97 105.19 109.69 1csx n GLY 1 Ca 0.12 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 1csx n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1csx s SER 2 N 1.00 6.62 0.20 1.61 0.15 -1.26 -4.92 113.70 117.10 1csx s SER 2 Ca 0.00 0.77 -0.02 0.00 0.70 0.00 0.00 55.95 57.39 1csx s SER 2 Cb 0.00 -2.35 0.15 0.00 -1.71 0.00 0.00 66.02 62.11 1csx s SER 2 CO 0.00 -0.38 1.54 0.00 1.20 0.00 0.00 173.24 175.60 1csx h ALA 3 N 7.82 0.76 -0.25 5.45 0.00 -1.89 -0.05 119.26 131.10 1csx h ALA 3 Ca -0.27 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.11 1csx h ALA 3 Cb 1.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1csx h ALA 3 CO 0.79 0.67 -0.06 0.87 0.00 0.00 0.00 179.25 181.52 1csx h LYS 4 N 0.45 0.48 -0.40 0.00 1.57 -1.93 -1.31 116.57 115.42 1csx h LYS 4 Ca 0.02 -0.18 0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1csx h LYS 4 Cb 1.01 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.25 1csx h LYS 4 CO 0.09 0.70 0.08 -0.22 -0.57 0.00 0.00 179.45 179.54 1csx h LYS 5 N 0.22 0.21 -0.63 3.15 1.63 -1.88 -2.39 116.57 116.87 1csx h LYS 5 Ca 0.06 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.87 1csx h LYS 5 Cb 0.53 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.07 1csx h LYS 5 CO 0.02 0.14 0.39 0.78 -3.45 0.00 0.00 179.45 177.33 1csx h GLY 6 N 0.21 0.89 0.12 5.01 0.00 -0.90 -2.00 103.07 106.41 1csx h GLY 6 Ca 0.19 -0.30 0.16 0.00 0.00 0.00 0.00 47.33 47.38 1csx h GLY 6 CO -0.25 0.26 0.36 0.00 0.00 0.00 0.00 176.54 176.92 1csx h ALA 7 N 1.26 1.20 0.02 3.60 0.00 -0.72 0.20 119.26 124.83 1csx h ALA 7 Ca 0.25 0.11 -0.21 0.00 0.00 0.00 0.00 54.91 55.06 1csx h ALA 7 Cb -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1csx h ALA 7 CO -0.09 -0.19 -0.98 1.79 0.00 0.00 0.00 179.25 179.78 1csx h THR 8 N 0.50 1.61 -0.32 0.00 1.35 -1.28 -0.85 112.91 113.92 1csx h THR 8 Ca 0.46 -3.06 -0.00 0.00 -0.55 0.00 0.00 66.41 63.25 1csx h THR 8 Cb 0.71 2.71 -0.02 0.00 -1.73 0.00 0.00 68.15 69.83 1csx h THR 8 CO -0.41 0.88 0.20 0.25 -0.25 0.00 0.00 175.52 176.19 1csx h LEU 9 N 0.04 0.38 -0.43 3.87 6.46 -0.58 -1.94 115.31 123.11 1csx h LEU 9 Ca -0.04 -0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.71 1csx h LEU 9 Cb 1.68 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 41.48 1csx h LEU 9 CO 0.14 0.31 0.23 0.15 -0.62 0.00 0.00 178.44 178.65 1csx h PHE 10 N 0.42 0.42 -0.08 1.25 3.04 -0.34 0.86 116.94 122.50 1csx h PHE 10 Ca 0.12 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.09 1csx h PHE 10 Cb -0.00 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.37 1csx h PHE 10 CO -0.04 0.23 0.02 0.87 -2.02 0.00 0.00 178.31 177.37 1csx h LYS 11 N 0.46 0.06 0.00 1.11 1.57 -0.86 0.38 116.57 119.29 1csx h LYS 11 Ca 0.18 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 1csx h LYS 11 Cb 0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1csx h LYS 11 CO -0.11 0.04 -0.30 1.79 -0.57 0.00 0.00 179.45 180.30 1csx h THR 12 N 0.06 0.52 0.00 -0.16 1.35 -1.08 -3.35 112.91 110.25 1csx h THR 12 Ca 0.03 -1.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 1csx h THR 12 Cb 0.02 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1csx h THR 12 CO -0.04 0.29 -0.05 0.54 -0.25 0.00 0.00 175.52 176.01 1csx n ARG 13 N -3.18 6.36 0.00 4.72 5.12 0.30 -4.90 116.66 125.08 1csx n ARG 13 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1csx n ARG 13 Cb 0.64 -0.50 0.00 0.00 -1.16 0.00 0.00 32.46 31.44 1csx n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1csx h LEU 15 N 0.00 0.17 -1.58 0.00 5.85 -1.38 -1.25 115.31 117.11 1csx h LEU 15 Ca 0.00 -0.01 0.30 0.00 0.84 0.00 0.00 57.88 59.00 1csx h LEU 15 Cb 0.34 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 1csx h LEU 15 CO 0.00 0.20 0.74 -0.61 -0.34 0.00 0.00 178.44 178.43 1csx h GLN 16 N 0.19 0.23 0.00 1.25 4.15 -1.86 -2.78 115.11 116.29 1csx h GLN 16 Ca 0.05 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1csx h GLN 16 Cb 0.12 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1csx h GLN 16 CO 0.00 0.15 0.00 0.00 -1.93 0.00 0.00 178.83 177.06 1csx s HIS 18 N -0.68 0.56 0.20 0.00 3.76 -0.51 -1.09 115.29 117.53 1csx s HIS 18 Ca 0.00 -1.03 0.10 0.00 -0.15 0.00 0.00 55.06 53.98 1csx s HIS 18 Cb 0.00 -0.35 -0.04 0.00 1.11 0.00 0.00 32.58 33.29 1csx s HIS 18 CO 0.00 -0.46 -0.20 0.95 -0.85 0.00 0.00 174.74 174.18 1csx s THR 19 N -3.95 2.09 -0.01 1.30 -4.23 -1.26 -4.09 115.64 105.49 1csx s THR 19 Ca 0.12 -2.06 0.01 0.00 -1.18 0.00 0.00 61.69 58.59 1csx s THR 19 Cb 0.07 -2.02 -0.02 0.00 1.34 0.00 0.00 72.50 71.87 1csx s THR 19 CO -0.06 -0.28 0.03 1.33 -0.54 0.00 0.00 174.62 175.09 1csx n VAL 20 N 0.09 0.00 -2.59 2.29 0.24 -1.26 -0.82 118.33 116.27 1csx n VAL 20 Ca -0.11 -0.06 -0.32 0.00 -2.04 0.00 0.00 64.34 61.81 1csx n VAL 20 Cb 0.57 0.51 -0.05 0.00 -1.47 0.00 0.00 33.84 33.41 1csx n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1csx s GLU 21 N -2.01 4.02 0.14 7.34 1.03 -1.26 -3.26 118.70 124.70 1csx s GLU 21 Ca -0.00 0.95 -0.31 0.00 0.03 0.00 0.00 54.97 55.64 1csx s GLU 21 Cb 0.01 -2.18 -0.10 0.00 -0.80 0.00 0.00 34.13 31.06 1csx s GLU 21 CO 0.05 -0.16 1.61 0.21 -1.33 0.00 0.00 175.26 175.64 1csx s LYS 22 N -3.73 4.20 0.00 -4.83 2.20 -1.26 -1.74 119.74 114.58 1csx s LYS 22 Ca 0.59 2.37 0.00 0.00 -0.36 0.00 0.00 55.97 58.57 1csx s LYS 22 Cb -0.10 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 1csx s LYS 22 CO 0.25 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 174.99 1csx n GLY 23 N 3.85 0.58 3.92 5.54 0.00 -1.26 -5.04 105.19 112.78 1csx n GLY 23 Ca 0.15 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1csx n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1csx s GLY 24 N -2.05 1.46 0.46 -0.02 0.00 -0.71 -5.06 107.32 101.41 1csx s GLY 24 Ca 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 44.72 43.97 1csx s GLY 24 CO 0.00 -0.57 0.75 2.56 0.00 0.00 0.00 173.10 175.84 1csx s PRO 25 N -4.61 3.52 0.32 2.90 0.04 -1.26 -4.81 135.00 131.11 1csx s PRO 25 Ca 0.46 0.11 -0.27 0.00 0.04 0.00 0.00 61.00 61.34 1csx s PRO 25 Cb -0.10 -2.42 -0.09 0.00 0.04 0.00 0.00 34.50 31.93 1csx s PRO 25 CO 0.41 -0.16 1.03 -1.01 0.04 0.00 0.00 177.00 177.31 1csx s HIS 26 N -2.68 3.56 0.00 0.56 3.76 -1.26 -4.20 115.29 115.03 1csx s HIS 26 Ca 0.46 1.73 0.00 0.00 -0.15 0.00 0.00 55.06 57.10 1csx s HIS 26 Cb -0.10 -3.12 0.00 0.00 1.11 0.00 0.00 32.58 30.47 1csx s HIS 26 CO 0.44 -0.28 0.00 1.63 -0.85 0.00 0.00 174.74 175.67 1csx n LYS 27 N 0.70 0.00 -0.11 1.40 5.02 -1.26 -4.91 118.16 119.00 1csx n LYS 27 Ca 0.01 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.21 1csx n LYS 27 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.47 1csx n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1csx h VAL 28 N 0.00 1.18 -1.39 -0.18 2.07 -1.84 -3.43 116.25 112.66 1csx h VAL 28 Ca 0.00 -0.55 -0.48 0.00 0.82 0.00 0.00 66.70 66.49 1csx h VAL 28 Cb 0.00 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1csx h VAL 28 CO 0.00 0.19 -0.32 -0.83 0.02 0.00 0.00 177.57 176.64 1csx s GLY 29 N -2.85 2.07 0.68 2.17 0.00 -0.25 -5.08 107.32 104.07 1csx s GLY 29 Ca -0.13 -1.81 -0.14 0.00 0.00 0.00 0.00 44.72 42.64 1csx s GLY 29 CO 0.74 -1.65 1.10 2.56 0.00 0.00 0.00 173.10 175.85 1csx s PRO 30 N -4.24 2.70 0.17 2.90 0.04 -1.26 -4.60 135.00 130.71 1csx s PRO 30 Ca 0.50 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.55 1csx s PRO 30 Cb -0.05 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 1csx s PRO 30 CO 0.30 -1.31 1.23 1.21 0.04 0.00 0.00 177.00 178.47 1csx s ASN 31 N -2.83 7.03 0.00 6.66 3.84 -1.26 -4.46 114.94 123.92 1csx s ASN 31 Ca 0.65 2.25 0.15 0.00 0.21 0.00 0.00 52.86 56.12 1csx s ASN 31 Cb -0.19 -2.60 0.49 0.00 -0.55 0.00 0.00 41.25 38.39 1csx s ASN 31 CO 0.45 -0.44 1.37 0.18 -2.79 0.00 0.00 177.10 175.88 1csx n LEU 32 N 2.82 1.78 -4.70 3.21 4.77 -0.00 -4.96 117.00 119.91 1csx n LEU 32 Ca 0.06 -0.84 -0.42 0.00 -0.03 0.00 0.00 56.01 54.78 1csx n LEU 32 Cb 0.44 -0.18 -0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1csx n LEU 32 CO 0.56 0.42 0.92 1.57 -1.33 0.00 0.00 177.39 179.53 1csx n HIS 33 N 0.44 2.32 -1.54 -1.77 -0.00 -1.20 -1.83 115.22 111.63 1csx n HIS 33 Ca 0.13 0.54 -0.18 0.00 0.46 0.00 0.00 57.72 58.68 1csx n HIS 33 Cb 0.31 -2.42 -0.08 0.00 -0.12 0.00 0.00 29.99 27.68 1csx n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1csx n GLY 34 N 0.75 1.66 0.34 1.57 0.00 -0.36 -4.93 105.19 104.22 1csx n GLY 34 Ca 0.05 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.25 1csx n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1csx h ILE 35 N 0.00 0.18 -3.66 -0.61 6.09 -1.59 -3.39 117.51 114.52 1csx h ILE 35 Ca -0.37 0.00 -0.51 0.00 -1.37 0.00 0.00 64.86 62.61 1csx h ILE 35 Cb 1.17 0.81 0.01 0.00 0.47 0.00 0.00 36.82 39.28 1csx h ILE 35 CO 0.54 0.00 0.47 -0.36 -3.07 0.00 0.00 178.15 175.72 1csx s PHE 36 N -4.32 3.62 0.00 2.19 0.08 -1.26 -2.36 117.98 115.93 1csx s PHE 36 Ca -0.04 1.66 0.00 0.00 0.12 0.00 0.00 56.93 58.67 1csx s PHE 36 Cb 0.12 -3.26 0.00 0.00 -0.57 0.00 0.00 43.02 39.32 1csx s PHE 36 CO 0.42 -0.50 0.00 0.41 -0.10 0.00 0.00 175.22 175.44 1csx n GLY 37 N 1.71 3.01 3.84 4.36 0.00 0.87 -4.98 105.19 113.99 1csx n GLY 37 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1csx n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1csx s ARG 38 N -0.06 3.71 0.31 1.61 3.52 -1.00 -4.73 118.95 122.31 1csx s ARG 38 Ca 0.00 0.99 0.02 0.00 -0.13 0.00 0.00 55.73 56.61 1csx s ARG 38 Cb 0.00 -2.10 -0.03 0.00 -1.56 0.00 0.00 34.95 31.26 1csx s ARG 38 CO 0.00 -0.48 0.48 -1.01 -0.81 0.00 0.00 175.30 173.48 1csx s HIS 39 N -2.68 3.48 0.39 5.12 3.76 -1.25 -1.05 115.29 123.06 1csx s HIS 39 Ca 0.59 0.24 -0.26 0.00 -0.15 0.00 0.00 55.06 55.48 1csx s HIS 39 Cb -0.12 -1.79 -0.09 0.00 1.11 0.00 0.00 32.58 31.69 1csx s HIS 39 CO 0.37 0.23 1.16 -1.54 -0.85 0.00 0.00 174.74 174.11 1csx s SER 40 N -3.97 6.62 -0.01 1.40 1.04 0.29 -3.94 113.70 115.14 1csx s SER 40 Ca 0.38 2.33 0.00 0.00 0.48 0.00 0.00 55.95 59.14 1csx s SER 40 Cb -0.09 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1csx s SER 40 CO 0.33 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1csx n GLY 41 N 0.66 0.37 0.23 7.32 0.00 -1.26 -4.63 105.19 107.89 1csx n GLY 41 Ca 0.04 -0.95 0.03 0.00 0.00 0.00 0.00 46.02 45.13 1csx n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1csx n GLN 42 N -1.62 0.77 -2.36 1.61 1.13 -1.25 -4.94 117.38 110.72 1csx n GLN 42 Ca -0.00 -1.12 -0.40 0.00 -1.94 0.00 0.00 57.00 53.54 1csx n GLN 42 Cb 0.35 -1.11 -0.04 0.00 0.11 0.00 0.00 30.24 29.55 1csx n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1csx s ALA 43 N -0.61 3.44 0.31 -1.58 0.00 -1.26 -5.00 121.76 117.06 1csx s ALA 43 Ca 0.08 1.01 -0.03 0.00 0.00 0.00 0.00 51.96 53.02 1csx s ALA 43 Cb 0.05 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1csx s ALA 43 CO 0.07 -0.32 0.55 -1.83 0.00 0.00 0.00 175.76 174.23 1csx s GLU 44 N -1.44 3.56 0.00 0.00 -1.05 -1.26 -3.99 118.70 114.52 1csx s GLU 44 Ca 0.46 -0.14 0.00 0.00 -0.15 0.00 0.00 54.97 55.14 1csx s GLU 44 Cb -0.34 -2.66 0.00 0.00 -0.44 0.00 0.00 34.13 30.69 1csx s GLU 44 CO 0.44 0.19 0.00 0.41 0.95 0.00 0.00 175.26 177.25 1csx n GLY 45 N -1.29 0.76 3.26 -3.83 0.00 -1.26 -5.05 105.19 97.78 1csx n GLY 45 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1csx n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1csx s TYR 46 N -2.96 2.63 -1.11 1.61 6.14 -1.26 -5.06 117.35 117.34 1csx s TYR 46 Ca 0.00 -0.95 -0.20 0.00 0.64 0.00 0.00 57.07 56.56 1csx s TYR 46 Cb 0.00 -1.75 0.09 0.00 0.42 0.00 0.00 41.96 40.72 1csx s TYR 46 CO 0.00 -0.37 1.48 0.45 0.64 0.00 0.00 175.55 177.75 1csx s SER 47 N 0.35 6.70 0.88 4.32 0.15 -1.26 -4.94 113.70 119.90 1csx s SER 47 Ca -0.17 -2.05 -0.13 0.00 0.70 0.00 0.00 55.95 54.30 1csx s SER 47 Cb -0.17 -2.52 0.13 0.00 -1.71 0.00 0.00 66.02 61.74 1csx s SER 47 CO 0.08 -1.23 1.21 -0.31 1.20 0.00 0.00 173.24 174.19 1csx s TYR 48 N 3.93 2.45 0.81 3.44 1.51 -1.26 -5.06 117.35 123.17 1csx s TYR 48 Ca 0.46 0.64 -0.11 0.00 -1.01 0.00 0.00 57.07 57.04 1csx s TYR 48 Cb 0.00 -3.66 0.10 0.00 -0.11 0.00 0.00 41.96 38.30 1csx s TYR 48 CO -0.03 -2.16 1.16 0.95 -1.11 0.00 0.00 175.55 174.36 1csx s THR 49 N -3.61 2.08 0.24 -0.71 -4.23 -1.26 -4.95 115.64 103.20 1csx s THR 49 Ca 0.66 -0.10 -0.05 0.00 -1.18 0.00 0.00 61.69 61.02 1csx s THR 49 Cb -0.09 -2.98 0.16 0.00 1.34 0.00 0.00 72.50 70.92 1csx s THR 49 CO 0.51 0.00 1.80 0.44 -0.54 0.00 0.00 174.62 176.83 1csx h ASP 50 N -1.04 0.97 0.03 3.99 5.19 -1.97 -3.16 116.42 120.43 1csx h ASP 50 Ca -0.45 -0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 55.80 1csx h ASP 50 Cb 1.30 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.56 1csx h ASP 50 CO 0.57 0.89 -0.01 0.00 -3.12 0.00 0.00 179.24 177.57 1csx h ALA 51 N 1.24 -0.04 0.17 3.45 0.00 -1.86 -1.30 119.26 120.92 1csx h ALA 51 Ca 0.23 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1csx h ALA 51 Cb 0.26 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1csx h ALA 51 CO -0.01 -0.41 -0.28 -0.97 0.00 0.00 0.00 179.25 177.58 1csx h ASN 52 N -0.26 -0.78 -0.59 0.00 -0.73 -1.89 -1.65 115.58 109.69 1csx h ASN 52 Ca -0.00 0.08 0.12 0.00 1.87 0.00 0.00 56.30 58.37 1csx h ASN 52 Cb 0.25 0.28 -0.11 0.00 0.27 0.00 0.00 38.32 39.01 1csx h ASN 52 CO 0.01 -0.38 -0.09 0.40 -0.37 0.00 0.00 177.43 177.00 1csx h ILE 53 N -0.52 0.45 0.00 2.57 1.08 -1.56 -1.92 117.51 117.60 1csx h ILE 53 Ca 0.02 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1csx h ILE 53 Cb 0.53 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 34.68 1csx h ILE 53 CO -0.12 0.01 0.00 0.29 -0.69 0.00 0.00 178.15 177.63 1csx n LYS 54 N -5.36 0.16 0.19 2.37 5.02 -0.49 -3.35 118.16 116.69 1csx n LYS 54 Ca 0.07 0.23 0.13 0.00 -2.02 0.00 0.00 58.31 56.72 1csx n LYS 54 Cb 0.32 -1.72 0.31 0.00 -0.02 0.00 0.00 35.03 33.92 1csx n LYS 54 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1csx h LYS 55 N 0.00 0.00 -6.90 1.97 1.63 -0.46 -3.47 116.57 109.33 1csx h LYS 55 Ca 0.00 0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 59.22 1csx h LYS 55 Cb 0.53 0.00 -0.35 0.00 -0.60 0.00 0.00 32.23 31.80 1csx h LYS 55 CO 0.00 0.00 -0.85 -1.71 -3.45 0.00 0.00 179.45 173.44 1csx n ASN 56 N -2.85 -1.58 -4.72 4.20 4.05 -1.21 -4.89 115.26 108.25 1csx n ASN 56 Ca 0.04 -1.16 -0.42 0.00 0.45 0.00 0.00 54.58 53.49 1csx n ASN 56 Cb 0.46 -1.48 -0.03 0.00 1.23 0.00 0.00 39.78 39.96 1csx n ASN 56 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1csx s VAL 57 N -3.14 2.41 -0.33 3.44 1.01 -1.26 -4.68 120.40 117.85 1csx s VAL 57 Ca 0.74 0.29 -0.15 0.00 0.00 0.00 0.00 61.98 62.86 1csx s VAL 57 Cb -0.43 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1csx s VAL 57 CO 0.95 0.02 0.37 -0.22 0.00 0.00 0.00 175.10 176.22 1csx s LEU 58 N 1.17 4.37 -0.60 3.92 1.98 -1.26 0.11 118.68 128.36 1csx s LEU 58 Ca 0.72 -0.14 -0.27 0.00 -2.89 0.00 0.00 54.13 51.54 1csx s LEU 58 Cb -0.46 -2.36 0.03 0.00 0.66 0.00 0.00 46.19 44.07 1csx s LEU 58 CO 0.31 -0.32 1.16 0.26 -1.89 0.00 0.00 176.35 175.88 1csx s TRP 59 N 2.04 2.59 0.24 5.38 0.52 -0.21 -4.84 118.94 124.66 1csx s TRP 59 Ca 0.12 0.26 0.09 0.00 0.02 0.00 0.00 56.10 56.59 1csx s TRP 59 Cb -0.16 -4.46 -0.05 0.00 -1.15 0.00 0.00 33.47 27.65 1csx s TRP 59 CO 0.12 -1.62 -0.14 0.16 0.02 0.00 0.00 176.95 175.48 1csx s ASP 60 N 3.07 2.86 0.54 2.95 1.47 -1.26 -0.09 116.67 126.21 1csx s ASP 60 Ca 0.39 -1.06 0.41 0.00 1.18 0.00 0.00 52.55 53.47 1csx s ASP 60 Cb -0.08 -0.18 1.60 0.00 -0.34 0.00 0.00 42.92 43.91 1csx s ASP 60 CO 0.23 -0.16 1.73 1.05 0.68 0.00 0.00 175.17 178.70 1csx h GLU 61 N 2.43 0.01 0.00 2.11 4.11 -1.97 0.21 114.58 121.49 1csx h GLU 61 Ca -0.39 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.04 1csx h GLU 61 Cb 1.23 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1csx h GLU 61 CO 0.63 0.01 -0.00 -0.91 0.07 0.00 0.00 179.01 178.80 1csx h ASN 62 N 0.01 -0.00 0.33 3.06 4.21 -1.95 -2.81 115.58 118.43 1csx h ASN 62 Ca 0.69 -0.85 -0.00 0.00 1.21 0.00 0.00 56.30 57.34 1csx h ASN 62 Cb 2.73 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 39.92 1csx h ASN 62 CO -0.02 0.91 -0.29 -1.13 -1.29 0.00 0.00 177.43 175.61 1csx h ASN 63 N -0.98 -0.76 -0.85 5.81 -0.73 -1.63 -2.22 115.58 114.21 1csx h ASN 63 Ca -0.00 0.06 0.20 0.00 1.87 0.00 0.00 56.30 58.44 1csx h ASN 63 Cb 0.86 0.25 -0.05 0.00 0.27 0.00 0.00 38.32 39.64 1csx h ASN 63 CO 0.00 -0.42 0.58 -0.03 -0.37 0.00 0.00 177.43 177.19 1csx h MET 64 N -0.63 0.28 0.18 6.67 4.05 -0.76 0.38 114.93 125.10 1csx h MET 64 Ca -0.02 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 1csx h MET 64 Cb 0.56 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1csx h MET 64 CO -0.03 0.19 -0.09 1.03 0.23 0.00 0.00 176.91 178.24 1csx h SER 65 N 0.29 -0.21 -0.32 1.39 0.87 -1.13 0.22 113.55 114.66 1csx h SER 65 Ca 0.43 -0.20 0.06 0.00 -1.23 0.00 0.00 61.79 60.86 1csx h SER 65 Cb 1.23 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 63.18 1csx h SER 65 CO -0.12 0.09 -0.09 -0.33 -0.53 0.00 0.00 176.83 175.85 1csx h GLU 66 N -0.52 -0.01 -0.37 2.24 3.07 -0.98 -2.47 114.58 115.54 1csx h GLU 66 Ca -0.03 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1csx h GLU 66 Cb 0.40 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 1csx h GLU 66 CO 0.04 -0.01 0.20 -0.92 -1.40 0.00 0.00 179.01 176.93 1csx h TYR 67 N -0.01 0.38 0.00 4.33 3.20 -0.85 -1.85 116.97 122.17 1csx h TYR 67 Ca 0.16 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1csx h TYR 67 Cb 0.25 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 1csx h TYR 67 CO -0.31 0.21 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.33 1csx h LEU 68 N 0.42 0.00 0.11 2.82 3.38 -0.56 -2.20 115.31 119.28 1csx h LEU 68 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1csx h LEU 68 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1csx h LEU 68 CO -0.08 0.03 -0.10 0.74 0.09 0.00 0.00 178.44 179.12 1csx h THR 69 N 0.00 0.78 -1.00 0.22 2.02 -0.89 -0.80 112.91 113.23 1csx h THR 69 Ca -0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1csx h THR 69 Cb 0.10 0.78 -0.19 0.00 -1.74 0.00 0.00 68.15 67.09 1csx h THR 69 CO 0.00 0.00 -0.45 0.21 0.37 0.00 0.00 175.52 175.66 1csx s ASN 70 N -5.00 -1.54 0.00 4.18 3.84 -1.06 -3.50 114.94 111.86 1csx s ASN 70 Ca -0.14 -0.74 0.00 0.00 0.21 0.00 0.00 52.86 52.19 1csx s ASN 70 Cb 0.06 1.97 0.00 0.00 -0.55 0.00 0.00 41.25 42.74 1csx s ASN 70 CO 0.66 -0.18 0.00 -2.65 -2.79 0.00 0.00 177.10 172.14 1csx n PRO 71 N 4.46 0.00 0.00 0.43 -0.02 -0.85 -0.89 135.00 138.13 1csx n PRO 71 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1csx n PRO 71 Cb 0.57 -0.90 0.00 0.00 -0.02 0.00 0.00 33.50 33.15 1csx n PRO 71 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1csx n LYS 73 N 0.00 0.00 -0.11 -0.52 0.00 -1.26 0.19 118.16 116.46 1csx n LYS 73 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.19 1csx n LYS 73 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.04 1csx n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1csx h TYR 74 N 0.00 1.07 -2.72 5.64 3.20 -1.35 -3.39 116.97 119.42 1csx h TYR 74 Ca 0.00 -0.30 -0.60 0.00 3.14 0.00 0.00 58.73 60.97 1csx h TYR 74 Cb 0.00 -0.23 -0.40 0.00 1.54 0.00 0.00 36.73 37.64 1csx h TYR 74 CO 0.00 1.11 -0.79 0.42 -1.64 0.00 0.00 178.16 177.26 1csx s ILE 75 N -4.45 1.49 -0.21 1.81 1.01 0.50 -5.09 121.20 116.26 1csx s ILE 75 Ca -0.11 -3.32 -0.33 0.00 0.00 0.00 0.00 60.65 56.89 1csx s ILE 75 Cb 0.12 -2.00 -0.10 0.00 0.01 0.00 0.00 42.46 40.48 1csx s ILE 75 CO 0.87 -1.11 2.06 -2.65 0.00 0.00 0.00 174.94 174.11 1csx n PRO 76 N 2.54 1.74 -0.25 2.79 -0.02 -1.26 -1.24 135.00 139.29 1csx n PRO 76 Ca 0.24 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1csx n PRO 76 Cb 0.41 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 1csx n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1csx n GLY 77 N 5.44 0.87 3.77 -1.23 0.00 -1.26 -4.79 105.19 107.98 1csx n GLY 77 Ca 0.31 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 1csx n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1csx s THR 78 N -2.00 2.98 -1.42 2.61 -1.32 -0.38 -4.77 115.64 111.34 1csx s THR 78 Ca 0.00 0.82 0.07 0.00 -1.21 0.00 0.00 61.69 61.37 1csx s THR 78 Cb 0.00 -3.46 0.29 0.00 -1.51 0.00 0.00 72.50 67.82 1csx s THR 78 CO 0.00 0.07 1.12 2.29 -2.21 0.00 0.00 174.62 175.89 1csx n LYS 79 N -0.02 2.07 -2.67 7.08 2.85 -1.26 -4.80 118.16 121.40 1csx n LYS 79 Ca 0.05 -1.15 -0.43 0.00 -1.05 0.00 0.00 58.31 55.74 1csx n LYS 79 Cb 0.46 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.32 1csx n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1csx s MET 80 N -1.65 3.48 -1.38 -1.58 1.75 -1.26 -4.89 119.30 113.78 1csx s MET 80 Ca 0.21 0.13 -0.09 0.00 -1.25 0.00 0.00 55.69 54.68 1csx s MET 80 Cb 0.13 -4.01 0.09 0.00 2.84 0.00 0.00 34.83 33.88 1csx s MET 80 CO 0.10 -1.57 2.26 0.00 -0.65 0.00 0.00 175.02 175.16 1csx n ALA 81 N 8.03 6.14 -3.70 4.11 0.00 -1.26 -4.89 120.51 128.93 1csx n ALA 81 Ca 0.07 -4.04 -0.27 0.00 0.00 0.00 0.00 53.44 49.20 1csx n ALA 81 Cb 0.49 -3.11 -0.17 0.00 0.00 0.00 0.00 19.45 16.66 1csx n ALA 81 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1csx s PHE 82 N 0.85 1.71 0.12 0.00 5.36 -1.26 -5.04 117.98 119.73 1csx s PHE 82 Ca 0.50 -0.79 -0.33 0.00 -0.96 0.00 0.00 56.93 55.34 1csx s PHE 82 Cb 0.14 -1.29 -0.12 0.00 -0.34 0.00 0.00 43.02 41.41 1csx s PHE 82 CO -0.05 -0.45 1.55 0.78 -1.46 0.00 0.00 175.22 175.59 1csx h GLY 83 N 7.56 -1.05 0.00 13.12 0.00 -1.96 -3.40 103.07 117.34 1csx h GLY 83 Ca -0.31 0.69 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1csx h GLY 83 CO 0.47 -0.17 0.00 0.61 0.00 0.00 0.00 176.54 177.45 1csx n GLY 84 N -1.42 3.79 3.06 4.60 0.00 -1.26 -4.53 105.19 109.44 1csx n GLY 84 Ca -0.05 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 1csx n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1csx s LEU 85 N 0.00 4.99 0.33 0.99 1.43 -0.31 -4.99 118.68 121.12 1csx s LEU 85 Ca 0.00 -2.51 0.10 0.00 -1.03 0.00 0.00 54.13 50.70 1csx s LEU 85 Cb 0.00 -1.77 0.58 0.00 0.03 0.00 0.00 46.19 45.03 1csx s LEU 85 CO 0.00 -0.40 1.75 0.11 0.23 0.00 0.00 176.35 178.04 1csx h LYS 86 N 7.35 0.07 -6.42 1.70 1.79 -1.86 -3.38 116.57 115.83 1csx h LYS 86 Ca -0.07 -0.03 -0.57 0.00 -2.18 0.00 0.00 60.65 57.80 1csx h LYS 86 Cb 0.98 -0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.57 1csx h LYS 86 CO 0.67 0.49 0.89 0.15 -1.08 0.00 0.00 179.45 180.57 1csx s LYS 87 N -4.08 3.95 0.24 3.15 1.02 -1.26 -4.92 119.74 117.84 1csx s LYS 87 Ca -0.03 0.98 -0.04 0.00 0.02 0.00 0.00 55.97 56.90 1csx s LYS 87 Cb 0.14 -3.81 0.43 0.00 -0.52 0.00 0.00 37.83 34.07 1csx s LYS 87 CO 0.75 -1.07 1.77 1.49 -0.92 0.00 0.00 175.35 177.37 1csx h GLU 88 N 8.63 0.60 -0.96 1.68 4.81 -2.00 -0.28 114.58 127.07 1csx h GLU 88 Ca -0.22 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1csx h GLU 88 Cb 1.07 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.24 1csx h GLU 88 CO 1.06 0.40 0.61 1.57 -0.73 0.00 0.00 179.01 181.92 1csx h LYS 89 N 0.62 0.97 -0.31 1.92 2.10 -1.97 0.53 116.57 120.42 1csx h LYS 89 Ca 0.41 -0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.97 1csx h LYS 89 Cb 0.51 -0.22 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 1csx h LYS 89 CO -0.32 0.64 0.08 -0.44 -2.00 0.00 0.00 179.45 177.41 1csx h ASP 90 N 1.00 0.47 -0.53 7.07 3.32 -1.47 -0.73 116.42 125.54 1csx h ASP 90 Ca 0.45 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1csx h ASP 90 Cb 0.38 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1csx h ASP 90 CO -0.20 0.57 0.22 0.03 -1.72 0.00 0.00 179.24 178.14 1csx h ARG 91 N 0.34 0.79 -0.22 3.56 3.08 -0.51 0.26 114.38 121.68 1csx h ARG 91 Ca 0.10 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1csx h ARG 91 Cb 0.29 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1csx h ARG 91 CO 0.00 0.68 0.13 -0.91 -1.07 0.00 0.00 179.97 178.80 1csx h ASN 92 N 0.72 0.27 0.75 7.04 2.35 0.35 0.31 115.58 127.36 1csx h ASN 92 Ca 0.18 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1csx h ASN 92 Cb 0.18 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 1csx h ASN 92 CO -0.02 0.26 -0.42 0.44 -1.65 0.00 0.00 177.43 176.04 1csx h ASP 93 N 0.26 -1.04 -0.17 5.81 3.32 -0.87 0.12 116.42 123.84 1csx h ASP 93 Ca 0.08 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.23 1csx h ASP 93 Cb 0.04 0.29 -0.06 0.00 0.22 0.00 0.00 39.33 39.82 1csx h ASP 93 CO -0.01 -0.67 -0.25 0.77 -1.72 0.00 0.00 179.24 177.35 1csx h SER 94 N -1.09 -0.78 0.10 6.45 4.64 -0.40 0.20 113.55 122.67 1csx h SER 94 Ca -0.10 0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1csx h SER 94 Cb 0.86 0.35 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1csx h SER 94 CO 0.12 -0.29 -0.04 0.40 -0.87 0.00 0.00 176.83 176.15 1csx h ILE 95 N -0.30 0.57 -0.39 0.95 2.04 -0.91 -1.49 117.51 117.99 1csx h ILE 95 Ca 0.11 -0.16 -0.06 0.00 1.00 0.00 0.00 64.86 65.75 1csx h ILE 95 Cb 0.47 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1csx h ILE 95 CO -0.34 0.04 0.03 0.74 0.00 0.00 0.00 178.15 178.62 1csx h THR 96 N 0.00 1.25 -0.26 -0.27 2.02 0.15 -0.98 112.91 114.82 1csx h THR 96 Ca -0.00 -0.94 -0.11 0.00 0.77 0.00 0.00 66.41 66.12 1csx h THR 96 Cb 0.10 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1csx h THR 96 CO 0.00 0.32 -0.28 0.22 0.37 0.00 0.00 175.52 176.16 1csx h TYR 97 N 0.50 0.78 -0.62 3.16 3.20 -0.72 -2.78 116.97 120.49 1csx h TYR 97 Ca 0.11 -0.24 -0.05 0.00 3.14 0.00 0.00 58.73 61.70 1csx h TYR 97 Cb 0.43 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1csx h TYR 97 CO 0.03 0.97 0.21 -0.07 -1.64 0.00 0.00 178.16 177.66 1csx h LEU 98 N 0.37 0.89 -0.66 2.82 3.38 -1.25 1.01 115.31 121.86 1csx h LEU 98 Ca 0.04 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1csx h LEU 98 Cb 0.85 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1csx h LEU 98 CO 0.07 0.85 0.41 0.11 0.09 0.00 0.00 178.44 179.97 1csx h LYS 99 N 0.88 0.79 0.38 1.13 1.57 -1.21 0.15 116.57 120.25 1csx h LYS 99 Ca 0.20 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1csx h LYS 99 Cb 0.27 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1csx h LYS 99 CO -0.01 0.52 -0.18 -0.22 -0.57 0.00 0.00 179.45 178.99 1csx h LYS 100 N 0.81 -0.49 -0.09 3.15 3.64 -1.06 -3.34 116.57 119.19 1csx h LYS 100 Ca 0.26 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.63 1csx h LYS 100 Cb 0.01 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1csx h LYS 100 CO -0.10 -0.32 -0.17 0.00 -2.27 0.00 0.00 179.45 176.59 1csx h ALA 101 N -1.61 1.55 -0.00 5.00 0.00 0.11 -3.10 119.26 121.20 1csx h ALA 101 Ca -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1csx h ALA 101 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1csx h ALA 101 CO 0.08 0.32 -0.02 0.25 0.00 0.00 0.00 179.25 179.89 1csx n THR 102 N -4.27 0.00 1.83 0.00 -2.24 0.51 -4.68 114.28 105.43 1csx n THR 102 Ca -0.01 -0.08 0.15 0.00 -2.27 0.00 0.00 64.05 61.84 1csx n THR 102 Cb 0.27 -0.15 0.81 0.00 -2.10 0.00 0.00 70.33 69.16 1csx n THR 102 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71