#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1csu n GLU -4 N 0.00 0.00 -4.15 -0.78 1.02 -1.26 -5.06 120.64 110.41 1csu n GLU -4 Ca 0.00 -0.28 -0.16 0.00 -0.02 0.00 0.00 57.16 56.70 1csu n GLU -4 Cb 0.00 -0.09 -0.15 0.00 -0.02 0.00 0.00 31.44 31.19 1csu n GLU -4 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1csu s PHE -3 N 0.00 0.47 -0.01 -0.32 5.36 -1.26 -5.05 117.98 117.16 1csu s PHE -3 Ca 0.00 -0.09 0.01 0.00 -0.96 0.00 0.00 56.93 55.90 1csu s PHE -3 Cb 0.00 -0.32 0.00 0.00 -0.34 0.00 0.00 43.02 42.37 1csu s PHE -3 CO -0.00 -0.02 -0.05 0.15 -1.46 0.00 0.00 175.22 173.84 1csu s LYS -2 N -0.03 0.48 0.67 10.12 1.02 -1.26 -5.09 119.74 125.64 1csu s LYS -2 Ca 0.01 -0.15 -0.17 0.00 0.02 0.00 0.00 55.97 55.68 1csu s LYS -2 Cb -0.03 -0.49 -0.01 0.00 -0.52 0.00 0.00 37.83 36.78 1csu s LYS -2 CO -0.00 0.06 1.02 0.00 -0.92 0.00 0.00 175.35 175.51 1csu n ALA -1 N 3.24 0.13 -3.00 5.17 0.00 -1.26 -4.79 120.51 120.00 1csu n ALA -1 Ca -0.16 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1csu n ALA -1 Cb 0.56 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1csu n ALA -1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1csu n GLY 1 N 1.13 5.28 3.52 0.00 0.00 -1.26 -4.94 105.19 108.92 1csu n GLY 1 Ca 0.14 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 1csu n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1csu s SER 2 N 1.00 6.13 0.30 1.61 0.15 -1.26 -4.94 113.70 116.68 1csu s SER 2 Ca 0.00 -0.45 0.04 0.00 0.70 0.00 0.00 55.95 56.24 1csu s SER 2 Cb 0.00 -2.17 0.47 0.00 -1.71 0.00 0.00 66.02 62.61 1csu s SER 2 CO 0.00 -0.34 1.76 0.00 1.20 0.00 0.00 173.24 175.85 1csu h ALA 3 N 8.53 1.17 -0.24 5.45 0.00 -1.88 -0.03 119.26 132.26 1csu h ALA 3 Ca -0.30 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 1csu h ALA 3 Cb 1.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1csu h ALA 3 CO 0.69 0.53 0.05 0.87 0.00 0.00 0.00 179.25 181.38 1csu h LYS 4 N 0.40 0.39 -0.85 0.00 1.57 -1.92 -0.33 116.57 115.84 1csu h LYS 4 Ca 0.07 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1csu h LYS 4 Cb 0.61 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 1csu h LYS 4 CO 0.04 0.52 0.49 -0.22 -0.57 0.00 0.00 179.45 179.71 1csu h LYS 5 N 0.20 1.18 -0.78 3.15 3.64 -1.87 -2.86 116.57 119.23 1csu h LYS 5 Ca 0.07 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1csu h LYS 5 Cb 0.31 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1csu h LYS 5 CO 0.00 0.84 0.32 0.78 -2.27 0.00 0.00 179.45 179.13 1csu h GLY 6 N 1.18 1.24 0.80 5.01 0.00 -0.83 -1.27 103.07 109.19 1csu h GLY 6 Ca 0.30 -0.66 0.05 0.00 0.00 0.00 0.00 47.33 47.02 1csu h GLY 6 CO -0.05 0.62 0.56 0.00 0.00 0.00 0.00 176.54 177.67 1csu h ALA 7 N 1.17 1.18 0.00 3.60 0.00 -0.83 0.15 119.26 124.53 1csu h ALA 7 Ca 0.26 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1csu h ALA 7 Cb 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1csu h ALA 7 CO -0.02 0.35 -0.71 1.79 0.00 0.00 0.00 179.25 180.66 1csu h THR 8 N 1.05 1.24 -0.22 0.00 1.35 -1.41 -2.03 112.91 112.89 1csu h THR 8 Ca 0.37 -2.71 -0.04 0.00 -0.55 0.00 0.00 66.41 63.48 1csu h THR 8 Cb 0.09 2.58 -0.01 0.00 -1.73 0.00 0.00 68.15 69.09 1csu h THR 8 CO -0.15 0.70 -0.02 -0.07 -0.25 0.00 0.00 175.52 175.73 1csu h LEU 9 N 0.00 0.40 -0.21 3.87 3.38 -0.69 -1.34 115.31 120.72 1csu h LEU 9 Ca -0.01 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.68 1csu h LEU 9 Cb 1.53 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 42.12 1csu h LEU 9 CO 0.09 0.64 -0.13 0.15 0.09 0.00 0.00 178.44 179.28 1csu h PHE 10 N 0.15 -0.33 -0.39 1.13 3.04 -0.48 0.19 116.94 120.26 1csu h PHE 10 Ca 0.06 0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.07 1csu h PHE 10 Cb 0.45 0.18 -0.04 0.00 2.56 0.00 0.00 35.95 39.10 1csu h PHE 10 CO 0.04 -0.20 0.17 0.87 -2.02 0.00 0.00 178.31 177.18 1csu h LYS 11 N -0.12 0.35 0.00 1.11 1.57 -1.31 0.45 116.57 118.61 1csu h LYS 11 Ca 0.12 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1csu h LYS 11 Cb 0.30 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1csu h LYS 11 CO -0.29 0.23 -0.37 1.79 -0.57 0.00 0.00 179.45 180.24 1csu h THR 12 N 0.36 0.67 0.00 -0.16 1.35 -0.77 -3.36 112.91 111.00 1csu h THR 12 Ca 0.17 -1.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 1csu h THR 12 Cb 0.10 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1csu h THR 12 CO -0.14 0.37 -0.93 0.54 -0.25 0.00 0.00 175.52 175.11 1csu n ARG 13 N -3.23 0.77 0.00 4.72 5.12 0.63 -4.91 116.66 119.75 1csu n ARG 13 Ca 0.02 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 1csu n ARG 13 Cb 0.65 -0.97 0.00 0.00 -1.16 0.00 0.00 32.46 30.99 1csu n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1csu h LEU 15 N 0.00 0.45 -1.20 0.00 5.85 -1.45 -1.48 115.31 117.47 1csu h LEU 15 Ca 0.00 -0.00 0.24 0.00 0.84 0.00 0.00 57.88 58.96 1csu h LEU 15 Cb 0.31 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.13 1csu h LEU 15 CO 0.00 0.30 0.63 -0.61 -0.34 0.00 0.00 178.44 178.43 1csu h GLN 16 N 0.52 0.51 0.00 1.25 4.15 -1.86 -3.18 115.11 116.50 1csu h GLN 16 Ca 0.21 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1csu h GLN 16 Cb 0.19 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1csu h GLN 16 CO -0.06 0.34 0.00 0.00 -1.93 0.00 0.00 178.83 177.18 1csu s HIS 18 N -0.45 0.45 0.20 0.00 3.76 -0.62 -0.49 115.29 118.14 1csu s HIS 18 Ca 0.00 -0.96 0.10 0.00 -0.15 0.00 0.00 55.06 54.05 1csu s HIS 18 Cb 0.00 -0.34 -0.04 0.00 1.11 0.00 0.00 32.58 33.31 1csu s HIS 18 CO 0.00 -0.37 -0.20 0.95 -0.85 0.00 0.00 174.74 174.27 1csu s THR 19 N -3.60 2.08 0.00 1.30 -4.23 -1.26 -4.34 115.64 105.59 1csu s THR 19 Ca 0.04 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1csu s THR 19 Cb 0.05 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.87 1csu s THR 19 CO -0.09 -0.30 0.00 1.33 -0.54 0.00 0.00 174.62 175.03 1csu n VAL 20 N 0.07 0.00 -2.52 2.29 0.24 -1.26 -1.19 118.33 115.96 1csu n VAL 20 Ca -0.11 -0.24 -0.38 0.00 -2.04 0.00 0.00 64.34 61.57 1csu n VAL 20 Cb 0.58 0.74 -0.04 0.00 -1.47 0.00 0.00 33.84 33.64 1csu n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1csu s GLU 21 N -1.34 4.38 0.10 7.34 1.03 -1.26 -3.43 118.70 125.52 1csu s GLU 21 Ca 0.00 1.64 -0.31 0.00 0.03 0.00 0.00 54.97 56.33 1csu s GLU 21 Cb 0.00 -2.84 -0.11 0.00 -0.80 0.00 0.00 34.13 30.38 1csu s GLU 21 CO 0.00 0.02 1.86 1.17 -1.33 0.00 0.00 175.26 176.99 1csu n LYS 22 N 0.51 2.78 -0.54 -4.83 3.00 -1.26 -0.93 118.16 116.90 1csu n LYS 22 Ca 0.02 1.01 0.00 0.00 -0.00 0.00 0.00 58.31 59.35 1csu n LYS 22 Cb 0.47 -2.92 0.00 0.00 0.00 0.00 0.00 35.03 32.59 1csu n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1csu n GLY 23 N 4.28 0.74 3.85 3.14 0.00 -1.26 -5.04 105.19 110.91 1csu n GLY 23 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1csu n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1csu s GLY 24 N -1.85 2.37 0.51 -0.02 0.00 -0.10 -5.07 107.32 103.17 1csu s GLY 24 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 44.72 44.66 1csu s GLY 24 CO 0.00 0.22 0.83 2.56 0.00 0.00 0.00 173.10 176.71 1csu s PRO 25 N -2.76 3.45 0.43 2.90 0.04 -1.26 -4.79 135.00 133.01 1csu s PRO 25 Ca 0.51 0.23 -0.23 0.00 0.04 0.00 0.00 61.00 61.55 1csu s PRO 25 Cb -0.11 -2.33 -0.08 0.00 0.04 0.00 0.00 34.50 32.01 1csu s PRO 25 CO 0.19 -0.32 1.07 -1.01 0.04 0.00 0.00 177.00 176.97 1csu s HIS 26 N -2.83 3.12 0.00 0.56 3.76 -1.26 -4.13 115.29 114.51 1csu s HIS 26 Ca 0.49 1.61 0.00 0.00 -0.15 0.00 0.00 55.06 57.01 1csu s HIS 26 Cb -0.10 -3.16 0.00 0.00 1.11 0.00 0.00 32.58 30.42 1csu s HIS 26 CO 0.46 -0.86 0.00 1.63 -0.85 0.00 0.00 174.74 175.12 1csu n LYS 27 N -0.37 0.00 -0.07 1.40 5.02 -1.26 -4.92 118.16 117.96 1csu n LYS 27 Ca 0.06 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.26 1csu n LYS 27 Cb 0.50 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.49 1csu n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1csu h VAL 28 N 0.00 1.05 -2.01 -0.18 2.07 -1.85 -3.43 116.25 111.90 1csu h VAL 28 Ca 0.00 -0.11 -0.50 0.00 0.82 0.00 0.00 66.70 66.90 1csu h VAL 28 Cb 0.00 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1csu h VAL 28 CO 0.00 0.06 -0.49 -0.83 0.02 0.00 0.00 177.57 176.33 1csu s GLY 29 N -2.44 1.63 0.66 2.17 0.00 0.35 -5.07 107.32 104.63 1csu s GLY 29 Ca -0.13 -1.57 -0.14 0.00 0.00 0.00 0.00 44.72 42.88 1csu s GLY 29 CO 0.70 -1.55 1.10 2.56 0.00 0.00 0.00 173.10 175.91 1csu s PRO 30 N -3.91 2.83 0.38 2.90 0.04 -1.26 -4.63 135.00 131.34 1csu s PRO 30 Ca 0.37 1.32 -0.27 0.00 0.04 0.00 0.00 61.00 62.45 1csu s PRO 30 Cb -0.06 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 1csu s PRO 30 CO 0.25 -1.22 1.39 1.21 0.04 0.00 0.00 177.00 178.67 1csu s ASN 31 N -2.76 6.41 0.00 6.66 3.84 -1.26 -4.47 114.94 123.36 1csu s ASN 31 Ca 0.65 2.84 0.22 0.00 0.21 0.00 0.00 52.86 56.79 1csu s ASN 31 Cb -0.19 -2.65 0.53 0.00 -0.55 0.00 0.00 41.25 38.39 1csu s ASN 31 CO 0.43 -0.81 1.46 0.18 -2.79 0.00 0.00 177.10 175.57 1csu n LEU 32 N 0.41 3.44 -4.68 3.21 4.77 -0.34 -4.98 117.00 118.83 1csu n LEU 32 Ca 0.02 -1.59 -0.45 0.00 -0.03 0.00 0.00 56.01 53.96 1csu n LEU 32 Cb 0.41 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1csu n LEU 32 CO 0.60 0.80 1.10 1.57 -1.33 0.00 0.00 177.39 180.12 1csu n HIS 33 N 1.43 2.28 -2.25 -1.77 -0.00 -1.22 -2.15 115.22 111.53 1csu n HIS 33 Ca 0.21 0.36 -0.17 0.00 0.46 0.00 0.00 57.72 58.57 1csu n HIS 33 Cb 0.58 -2.50 -0.01 0.00 -0.12 0.00 0.00 29.99 27.93 1csu n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1csu n GLY 34 N 2.55 -0.16 0.18 1.57 0.00 0.12 -4.94 105.19 104.50 1csu n GLY 34 Ca 0.13 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.01 1csu n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1csu h ILE 35 N 0.00 1.30 -3.25 -0.61 6.09 -1.65 -3.41 117.51 115.97 1csu h ILE 35 Ca -0.41 -1.44 -0.53 0.00 -1.37 0.00 0.00 64.86 61.11 1csu h ILE 35 Cb 1.29 1.78 0.01 0.00 0.47 0.00 0.00 36.82 40.37 1csu h ILE 35 CO 0.49 0.41 0.59 -0.36 -3.07 0.00 0.00 178.15 176.21 1csu s PHE 36 N -4.08 3.40 0.00 2.19 0.08 -1.26 -2.43 117.98 115.89 1csu s PHE 36 Ca -0.02 1.28 0.00 0.00 0.12 0.00 0.00 56.93 58.31 1csu s PHE 36 Cb 0.14 -3.47 0.00 0.00 -0.57 0.00 0.00 43.02 39.12 1csu s PHE 36 CO 0.73 -1.44 0.00 0.41 -0.10 0.00 0.00 175.22 174.83 1csu n GLY 37 N 2.93 1.65 3.89 4.36 0.00 0.21 -5.02 105.19 113.22 1csu n GLY 37 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1csu n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1csu s ARG 38 N -0.42 3.69 0.42 1.61 3.52 -1.02 -4.77 118.95 121.98 1csu s ARG 38 Ca 0.00 0.17 -0.00 0.00 -0.13 0.00 0.00 55.73 55.77 1csu s ARG 38 Cb 0.00 -2.57 -0.01 0.00 -1.56 0.00 0.00 34.95 30.81 1csu s ARG 38 CO 0.00 0.14 0.65 -1.01 -0.81 0.00 0.00 175.30 174.27 1csu s HIS 39 N -2.15 3.33 0.53 5.12 3.76 -1.26 -1.56 115.29 123.07 1csu s HIS 39 Ca 0.46 0.32 -0.21 0.00 -0.15 0.00 0.00 55.06 55.48 1csu s HIS 39 Cb -0.11 -2.19 -0.05 0.00 1.11 0.00 0.00 32.58 31.34 1csu s HIS 39 CO 0.30 -0.21 1.24 -1.54 -0.85 0.00 0.00 174.74 173.68 1csu s SER 40 N -4.15 5.53 -0.80 1.40 1.04 -0.73 -3.99 113.70 111.99 1csu s SER 40 Ca 0.46 2.48 0.00 0.00 0.48 0.00 0.00 55.95 59.37 1csu s SER 40 Cb -0.10 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1csu s SER 40 CO 0.38 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1csu n GLY 41 N 0.56 0.00 0.30 7.32 0.00 -1.26 -4.65 105.19 107.46 1csu n GLY 41 Ca 0.11 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.66 1csu n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1csu n GLN 42 N -1.91 2.07 -2.62 1.61 1.13 -1.26 -4.92 117.38 111.48 1csu n GLN 42 Ca -0.11 -1.52 -0.42 0.00 -1.94 0.00 0.00 57.00 53.01 1csu n GLN 42 Cb 0.58 -1.13 -0.03 0.00 0.11 0.00 0.00 30.24 29.77 1csu n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1csu s ALA 43 N -0.85 3.25 0.44 -1.58 0.00 -1.26 -5.00 121.76 116.75 1csu s ALA 43 Ca 0.10 0.65 -0.12 0.00 0.00 0.00 0.00 51.96 52.60 1csu s ALA 43 Cb 0.06 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.75 1csu s ALA 43 CO 0.08 -0.27 0.82 -1.83 0.00 0.00 0.00 175.76 174.57 1csu s GLU 44 N 0.84 3.81 -0.06 0.00 -1.05 -1.26 -3.57 118.70 117.40 1csu s GLU 44 Ca 0.53 0.58 0.00 0.00 -0.15 0.00 0.00 54.97 55.93 1csu s GLU 44 Cb -0.24 -2.33 0.00 0.00 -0.44 0.00 0.00 34.13 31.12 1csu s GLU 44 CO 0.29 -0.11 0.00 0.41 0.95 0.00 0.00 175.26 176.80 1csu n GLY 45 N -1.42 0.48 3.29 -3.83 0.00 -1.26 -5.03 105.19 97.42 1csu n GLY 45 Ca 0.03 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1csu n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1csu s TYR 46 N -1.97 2.64 -0.66 1.61 5.04 -1.23 -5.05 117.35 117.73 1csu s TYR 46 Ca 0.00 -0.81 -0.17 0.00 -2.44 0.00 0.00 57.07 53.65 1csu s TYR 46 Cb 0.00 -1.74 0.14 0.00 0.35 0.00 0.00 41.96 40.71 1csu s TYR 46 CO 0.00 -0.29 0.70 0.45 -1.34 0.00 0.00 175.55 175.08 1csu s SER 47 N 0.22 6.36 0.62 4.32 0.15 -1.26 -4.94 113.70 119.17 1csu s SER 47 Ca -0.12 -1.89 -0.11 0.00 0.70 0.00 0.00 55.95 54.52 1csu s SER 47 Cb -0.16 -2.26 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 1csu s SER 47 CO 0.07 -0.91 1.03 -0.31 1.20 0.00 0.00 173.24 174.32 1csu s TYR 48 N 1.78 3.61 0.72 3.44 2.02 -1.26 -5.06 117.35 122.60 1csu s TYR 48 Ca 0.13 1.27 -0.11 0.00 -0.37 0.00 0.00 57.07 57.98 1csu s TYR 48 Cb -0.21 -2.74 0.02 0.00 -0.40 0.00 0.00 41.96 38.64 1csu s TYR 48 CO 0.00 -0.72 1.09 0.95 -1.57 0.00 0.00 175.55 175.30 1csu s THR 49 N -3.19 3.52 0.26 -0.71 -4.23 -1.26 -4.96 115.64 105.06 1csu s THR 49 Ca 0.55 0.49 -0.05 0.00 -1.18 0.00 0.00 61.69 61.50 1csu s THR 49 Cb -0.11 -3.40 0.23 0.00 1.34 0.00 0.00 72.50 70.56 1csu s THR 49 CO 0.54 -0.64 1.90 0.44 -0.54 0.00 0.00 174.62 176.31 1csu h ASP 50 N -0.75 1.07 -0.24 3.99 3.32 -1.97 -3.13 116.42 118.70 1csu h ASP 50 Ca -0.45 -0.07 0.06 0.00 0.02 0.00 0.00 57.03 56.59 1csu h ASP 50 Cb 1.25 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 40.46 1csu h ASP 50 CO 0.62 0.83 -0.26 0.00 -1.72 0.00 0.00 179.24 178.71 1csu h ALA 51 N 1.35 -0.16 0.28 3.45 0.00 -1.87 -2.56 119.26 119.75 1csu h ALA 51 Ca 0.32 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1csu h ALA 51 Cb -0.04 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1csu h ALA 51 CO -0.06 -0.69 -0.31 -0.97 0.00 0.00 0.00 179.25 177.23 1csu h ASN 52 N -0.27 -0.84 -0.95 0.00 -0.73 -1.89 -2.12 115.58 108.79 1csu h ASN 52 Ca 0.14 0.08 0.13 0.00 1.87 0.00 0.00 56.30 58.51 1csu h ASN 52 Cb 0.48 0.29 -0.08 0.00 0.27 0.00 0.00 38.32 39.28 1csu h ASN 52 CO -0.40 -0.43 0.60 0.40 -0.37 0.00 0.00 177.43 177.23 1csu h ILE 53 N -0.63 0.89 0.00 2.57 2.04 -1.56 -2.74 117.51 118.08 1csu h ILE 53 Ca -0.01 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.47 1csu h ILE 53 Cb 0.59 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1csu h ILE 53 CO -0.08 0.16 -0.75 0.11 0.00 0.00 0.00 178.15 177.59 1csu h LYS 54 N 0.86 0.00 -0.61 2.37 1.57 -1.35 -3.28 116.57 116.13 1csu h LYS 54 Ca 0.47 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.19 1csu h LYS 54 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1csu h LYS 54 CO -0.24 0.29 0.12 -0.22 -0.57 0.00 0.00 179.45 178.84 1csu h LYS 55 N 0.00 0.99 -6.62 3.15 1.63 -1.07 -3.47 116.57 111.19 1csu h LYS 55 Ca -0.05 -0.25 -0.52 0.00 -0.85 0.00 0.00 60.65 58.98 1csu h LYS 55 Cb 1.32 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 32.78 1csu h LYS 55 CO 0.04 0.92 -0.93 -1.71 -3.45 0.00 0.00 179.45 174.32 1csu n ASN 56 N -4.31 -1.77 -4.77 4.20 4.05 -1.16 -4.94 115.26 106.55 1csu n ASN 56 Ca 0.03 -1.11 -0.41 0.00 0.45 0.00 0.00 54.58 53.55 1csu n ASN 56 Cb 0.26 -2.64 -0.02 0.00 1.23 0.00 0.00 39.78 38.61 1csu n ASN 56 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1csu s VAL 57 N -3.86 2.82 -0.26 3.44 1.01 -1.26 -4.74 120.40 117.55 1csu s VAL 57 Ca 0.18 0.83 -0.13 0.00 0.00 0.00 0.00 61.98 62.86 1csu s VAL 57 Cb -0.08 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1csu s VAL 57 CO 0.92 0.20 0.29 -0.22 0.00 0.00 0.00 175.10 176.28 1csu s LEU 58 N -1.73 4.06 -0.43 3.92 1.98 -1.26 -1.78 118.68 123.44 1csu s LEU 58 Ca 0.48 0.21 -0.29 0.00 -2.89 0.00 0.00 54.13 51.65 1csu s LEU 58 Cb -0.39 -2.30 0.01 0.00 0.66 0.00 0.00 46.19 44.17 1csu s LEU 58 CO 0.51 -0.09 1.47 0.26 -1.89 0.00 0.00 176.35 176.61 1csu s TRP 59 N 1.72 2.30 0.16 5.38 0.52 -0.60 -4.83 118.94 123.59 1csu s TRP 59 Ca 0.12 0.64 0.05 0.00 0.02 0.00 0.00 56.10 56.94 1csu s TRP 59 Cb -0.15 -4.30 -0.04 0.00 -1.15 0.00 0.00 33.47 27.82 1csu s TRP 59 CO 0.09 -2.10 -0.11 0.16 0.02 0.00 0.00 176.95 175.01 1csu s ASP 60 N 4.36 1.99 0.55 2.95 1.47 -1.26 0.65 116.67 127.37 1csu s ASP 60 Ca 0.62 -1.01 0.30 0.00 1.18 0.00 0.00 52.55 53.64 1csu s ASP 60 Cb -0.14 -0.04 1.47 0.00 -0.34 0.00 0.00 42.92 43.86 1csu s ASP 60 CO 0.32 -0.29 1.90 1.05 0.68 0.00 0.00 175.17 178.83 1csu h GLU 61 N 2.74 0.00 0.17 2.11 4.11 -1.97 -0.39 114.58 121.34 1csu h GLU 61 Ca -0.37 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 58.75 1csu h GLU 61 Cb 1.20 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.48 1csu h GLU 61 CO 0.63 0.00 -1.32 -0.91 0.07 0.00 0.00 179.01 177.48 1csu h ASN 62 N 0.00 0.78 -0.13 3.06 2.35 -1.96 -2.77 115.58 116.90 1csu h ASN 62 Ca 0.36 -0.77 -0.03 0.00 -0.55 0.00 0.00 56.30 55.31 1csu h ASN 62 Cb 1.52 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 39.64 1csu h ASN 62 CO -0.00 1.59 -0.03 0.78 -1.65 0.00 0.00 177.43 178.11 1csu h ASN 63 N 0.19 0.25 -0.83 5.81 2.35 -1.68 -3.04 115.58 118.63 1csu h ASN 63 Ca -0.20 -0.37 0.11 0.00 -0.55 0.00 0.00 56.30 55.29 1csu h ASN 63 Cb 2.00 -0.07 -0.08 0.00 0.05 0.00 0.00 38.32 40.22 1csu h ASN 63 CO 0.24 0.57 0.46 -0.03 -1.65 0.00 0.00 177.43 177.02 1csu h MET 64 N -0.06 0.70 -0.43 0.81 4.05 -1.21 0.16 114.93 118.95 1csu h MET 64 Ca 0.03 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.37 1csu h MET 64 Cb 0.46 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 1csu h MET 64 CO 0.01 0.47 0.11 1.03 0.23 0.00 0.00 176.91 178.76 1csu h SER 65 N 0.72 0.65 -0.35 1.39 0.87 -1.38 -1.37 113.55 114.09 1csu h SER 65 Ca 0.42 -0.23 -0.11 0.00 -1.23 0.00 0.00 61.79 60.64 1csu h SER 65 Cb 0.47 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1csu h SER 65 CO -0.29 0.71 -0.22 -0.33 -0.53 0.00 0.00 176.83 176.16 1csu h GLU 66 N 0.56 0.76 0.30 2.24 3.07 -1.30 -2.87 114.58 117.34 1csu h GLU 66 Ca 0.14 -0.36 -0.00 0.00 -0.50 0.00 0.00 59.36 58.64 1csu h GLU 66 Cb 0.31 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 1csu h GLU 66 CO 0.00 0.98 -0.28 -0.92 -1.40 0.00 0.00 179.01 177.39 1csu h TYR 67 N 0.55 -0.74 -0.08 4.33 3.20 -0.51 -2.78 116.97 120.94 1csu h TYR 67 Ca 0.07 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1csu h TYR 67 Cb 0.78 0.28 -0.00 0.00 1.54 0.00 0.00 36.73 39.33 1csu h TYR 67 CO 0.06 -0.40 0.12 -0.07 -1.64 0.00 0.00 178.16 176.23 1csu h LEU 68 N -0.60 0.00 -0.56 2.82 3.38 -1.27 -1.37 115.31 117.71 1csu h LEU 68 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1csu h LEU 68 Cb 0.54 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1csu h LEU 68 CO -0.04 0.00 0.36 0.74 0.09 0.00 0.00 178.44 179.58 1csu h THR 69 N 0.00 1.16 -0.70 0.22 2.02 -1.26 0.36 112.91 114.71 1csu h THR 69 Ca 0.04 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 66.94 1csu h THR 69 Cb 0.28 0.36 -0.19 0.00 -1.74 0.00 0.00 68.15 66.86 1csu h THR 69 CO -0.00 0.15 -0.30 0.21 0.37 0.00 0.00 175.52 175.95 1csu s ASN 70 N -5.75 -1.10 0.00 4.18 3.84 -0.92 -3.46 114.94 111.74 1csu s ASN 70 Ca -0.13 -0.38 0.00 0.00 0.21 0.00 0.00 52.86 52.56 1csu s ASN 70 Cb 0.13 1.48 0.00 0.00 -0.55 0.00 0.00 41.25 42.30 1csu s ASN 70 CO 0.75 -0.14 0.00 -2.65 -2.79 0.00 0.00 177.10 172.27 1csu n PRO 71 N 4.44 0.00 0.00 0.43 -0.02 -0.56 -1.83 135.00 137.46 1csu n PRO 71 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1csu n PRO 71 Cb 0.58 -0.93 0.00 0.00 -0.02 0.00 0.00 33.50 33.14 1csu n PRO 71 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1csu n LYS 73 N 0.08 0.00 0.05 -0.52 3.00 -1.26 0.10 118.16 119.61 1csu n LYS 73 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.10 1csu n LYS 73 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 34.92 1csu n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1csu h TYR 74 N 0.00 1.02 -2.76 5.64 3.20 -1.70 -3.39 116.97 118.98 1csu h TYR 74 Ca 0.00 -0.57 -0.61 0.00 3.14 0.00 0.00 58.73 60.69 1csu h TYR 74 Cb 0.00 -0.11 -0.40 0.00 1.54 0.00 0.00 36.73 37.76 1csu h TYR 74 CO 0.00 1.41 -0.77 0.42 -1.64 0.00 0.00 178.16 177.58 1csu s ILE 75 N -3.24 1.61 0.11 1.81 1.01 0.29 -5.08 121.20 117.71 1csu s ILE 75 Ca -0.10 -3.38 -0.31 0.00 0.00 0.00 0.00 60.65 56.86 1csu s ILE 75 Cb 0.06 -2.08 -0.10 0.00 0.01 0.00 0.00 42.46 40.35 1csu s ILE 75 CO 0.92 -1.10 1.79 -2.16 0.00 0.00 0.00 174.94 174.39 1csu s PRO 76 N -0.60 4.15 0.00 2.79 0.05 -1.26 -0.88 135.00 139.25 1csu s PRO 76 Ca 0.28 2.54 0.00 0.00 0.05 0.00 0.00 61.00 63.87 1csu s PRO 76 Cb -0.03 -3.58 0.00 0.00 0.05 0.00 0.00 34.50 30.94 1csu s PRO 76 CO -0.16 -0.82 0.00 0.41 0.05 0.00 0.00 177.00 176.48 1csu n GLY 77 N 4.18 0.31 3.77 0.56 0.00 -1.26 -4.81 105.19 107.94 1csu n GLY 77 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1csu n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1csu s THR 78 N -2.00 2.61 -2.06 2.61 -1.32 -0.06 -4.74 115.64 110.68 1csu s THR 78 Ca 0.00 0.56 0.12 0.00 -1.21 0.00 0.00 61.69 61.16 1csu s THR 78 Cb 0.00 -3.34 0.31 0.00 -1.51 0.00 0.00 72.50 67.96 1csu s THR 78 CO 0.00 0.10 1.31 2.29 -2.21 0.00 0.00 174.62 176.10 1csu n LYS 79 N 0.27 1.63 -2.39 7.08 2.85 -1.26 -4.80 118.16 121.53 1csu n LYS 79 Ca 0.03 -0.97 -0.43 0.00 -1.05 0.00 0.00 58.31 55.88 1csu n LYS 79 Cb 0.43 -1.26 -0.02 0.00 -0.65 0.00 0.00 35.03 33.53 1csu n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1csu s MET 80 N -1.68 3.60 -1.36 -1.58 1.75 -1.26 -4.90 119.30 113.88 1csu s MET 80 Ca 0.22 0.88 -0.07 0.00 -1.25 0.00 0.00 55.69 55.47 1csu s MET 80 Cb 0.12 -4.00 0.10 0.00 2.84 0.00 0.00 34.83 33.88 1csu s MET 80 CO 0.16 -1.53 2.38 0.00 -0.65 0.00 0.00 175.02 175.39 1csu n ALA 81 N 8.64 6.69 -3.56 4.11 0.00 -1.26 -4.89 120.51 130.23 1csu n ALA 81 Ca 0.16 -4.04 -0.28 0.00 0.00 0.00 0.00 53.44 49.27 1csu n ALA 81 Cb 0.48 -2.89 -0.17 0.00 0.00 0.00 0.00 19.45 16.87 1csu n ALA 81 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1csu s PHE 82 N -0.45 1.99 0.07 0.00 5.36 -1.26 -5.04 117.98 118.65 1csu s PHE 82 Ca 0.54 -0.89 -0.34 0.00 -0.96 0.00 0.00 56.93 55.28 1csu s PHE 82 Cb 0.17 -1.42 -0.17 0.00 -0.34 0.00 0.00 43.02 41.27 1csu s PHE 82 CO -0.08 -0.44 1.52 0.78 -1.46 0.00 0.00 175.22 175.54 1csu h GLY 83 N 7.24 -1.25 0.00 13.12 0.00 -1.96 -3.40 103.07 116.82 1csu h GLY 83 Ca -0.29 0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1csu h GLY 83 CO 0.49 -0.39 0.00 0.61 0.00 0.00 0.00 176.54 177.25 1csu n GLY 84 N -1.55 3.53 3.05 4.60 0.00 -1.26 -4.38 105.19 109.18 1csu n GLY 84 Ca -0.12 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 1csu n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1csu h LYS 86 N 7.37 0.99 -5.96 0.00 1.79 -1.84 -3.35 116.57 115.56 1csu h LYS 86 Ca -0.07 -0.31 -0.57 0.00 -2.18 0.00 0.00 60.65 57.52 1csu h LYS 86 Cb 0.99 -0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 31.48 1csu h LYS 86 CO 0.64 0.99 0.19 0.15 -1.08 0.00 0.00 179.45 180.34 1csu s LYS 87 N -4.96 4.36 0.34 3.15 1.02 -1.26 -4.95 119.74 117.45 1csu s LYS 87 Ca -0.11 0.89 0.02 0.00 0.02 0.00 0.00 55.97 56.79 1csu s LYS 87 Cb 0.14 -3.50 0.63 0.00 -0.52 0.00 0.00 37.83 34.57 1csu s LYS 87 CO 0.85 -0.10 1.99 1.49 -0.92 0.00 0.00 175.35 178.66 1csu h GLU 88 N 7.04 0.85 -0.19 1.68 4.81 -1.99 -2.02 114.58 124.77 1csu h GLU 88 Ca -0.36 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.83 1csu h GLU 88 Cb 1.17 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1csu h GLU 88 CO 0.78 0.56 0.10 1.57 -0.73 0.00 0.00 179.01 181.29 1csu h LYS 89 N 0.88 0.20 -0.78 1.92 2.10 -1.98 0.11 116.57 119.02 1csu h LYS 89 Ca 0.26 -0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.92 1csu h LYS 89 Cb -0.03 -0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 31.21 1csu h LYS 89 CO -0.06 0.13 0.50 -0.44 -2.00 0.00 0.00 179.45 177.58 1csu h ASP 90 N 0.20 0.84 -0.53 7.07 3.32 -1.86 -2.16 116.42 123.31 1csu h ASP 90 Ca 0.07 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 1csu h ASP 90 Cb 0.01 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1csu h ASP 90 CO -0.05 0.59 0.08 0.03 -1.72 0.00 0.00 179.24 178.17 1csu h ARG 91 N 0.99 0.88 -0.29 3.56 3.08 -0.95 -0.12 114.38 121.53 1csu h ARG 91 Ca 0.30 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1csu h ARG 91 Cb -0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1csu h ARG 91 CO -0.09 0.87 0.17 -0.91 -1.07 0.00 0.00 179.97 178.93 1csu h ASN 92 N 0.76 0.35 -0.05 7.04 2.35 -0.57 -1.72 115.58 123.75 1csu h ASN 92 Ca 0.16 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1csu h ASN 92 Cb 0.42 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 1csu h ASN 92 CO 0.01 0.30 0.03 0.44 -1.65 0.00 0.00 177.43 176.56 1csu h ASP 93 N 0.36 0.04 -0.22 5.81 3.32 -1.24 -1.67 116.42 122.82 1csu h ASP 93 Ca 0.10 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.17 1csu h ASP 93 Cb 0.02 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1csu h ASP 93 CO -0.02 0.03 0.10 0.25 -1.72 0.00 0.00 179.24 177.88 1csu h LEU 94 N 0.06 0.13 -1.34 1.55 5.85 -0.66 -2.13 115.31 118.77 1csu h LEU 94 Ca 0.02 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1csu h LEU 94 Cb -0.00 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1csu h LEU 94 CO -0.01 0.11 0.03 0.40 -0.34 0.00 0.00 178.44 178.62 1csu h ILE 95 N 0.21 1.17 -0.22 4.05 2.04 -1.31 0.11 117.51 123.55 1csu h ILE 95 Ca 0.09 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 1csu h ILE 95 Cb 0.04 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1csu h ILE 95 CO -0.08 0.23 0.06 0.74 0.00 0.00 0.00 178.15 179.10 1csu h THR 96 N 0.46 1.20 0.11 -0.27 2.02 -0.99 0.18 112.91 115.62 1csu h THR 96 Ca 0.10 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 1csu h THR 96 Cb 0.26 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1csu h THR 96 CO 0.00 0.21 -0.05 0.22 0.37 0.00 0.00 175.52 176.27 1csu h TYR 97 N 0.19 -0.14 -0.20 3.16 3.20 -0.95 -3.03 116.97 119.19 1csu h TYR 97 Ca 0.07 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1csu h TYR 97 Cb 0.26 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1csu h TYR 97 CO 0.01 -0.06 0.11 -0.07 -1.64 0.00 0.00 178.16 176.50 1csu h LEU 98 N -0.18 0.18 -1.42 2.82 3.38 -0.61 -0.39 115.31 119.09 1csu h LEU 98 Ca -0.02 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.15 1csu h LEU 98 Cb 0.14 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 1csu h LEU 98 CO 0.03 0.13 0.60 0.50 0.09 0.00 0.00 178.44 179.78 1csu h LYS 99 N 0.23 0.48 0.16 1.13 3.64 -0.66 -0.56 116.57 120.99 1csu h LYS 99 Ca 0.08 -0.03 -0.33 0.00 -1.27 0.00 0.00 60.65 59.10 1csu h LYS 99 Cb 0.00 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1csu h LYS 99 CO -0.04 0.31 -1.64 0.87 -2.27 0.00 0.00 179.45 176.68 1csu h LYS 100 N 0.49 0.35 0.00 1.90 1.79 -1.32 -3.36 116.57 116.42 1csu h LYS 100 Ca 0.48 -0.60 -0.05 0.00 -2.18 0.00 0.00 60.65 58.31 1csu h LYS 100 Cb 1.07 0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.94 1csu h LYS 100 CO -0.21 1.24 -0.87 0.00 -1.08 0.00 0.00 179.45 178.54 1csu h ALA 101 N 0.28 0.64 -0.01 3.86 0.00 -0.76 -3.32 119.26 119.94 1csu h ALA 101 Ca -0.29 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1csu h ALA 101 Cb 2.07 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.92 1csu h ALA 101 CO 0.18 0.27 -0.00 0.25 0.00 0.00 0.00 179.25 179.95 1csu n THR 102 N -2.86 0.00 1.89 0.00 -2.24 -0.25 -4.63 114.28 106.20 1csu n THR 102 Ca -0.01 -0.23 0.16 0.00 -2.27 0.00 0.00 64.05 61.69 1csu n THR 102 Cb 0.63 0.43 0.85 0.00 -2.10 0.00 0.00 70.33 70.14 1csu n THR 102 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88