#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cuq s SER 2 N 0.00 0.67 0.21 1.61 1.04 -1.26 -5.15 113.70 110.81 2cuq s SER 2 Ca 0.00 -0.08 -0.06 0.00 0.48 0.00 0.00 55.95 56.29 2cuq s SER 2 Cb 0.00 -0.28 -0.02 0.00 0.10 0.00 0.00 66.02 65.82 2cuq s SER 2 CO 0.00 -0.04 0.26 -0.44 0.98 0.00 0.00 173.24 174.00 2cuq s SER 3 N 0.69 0.07 0.00 7.02 0.01 -1.26 -5.18 113.70 115.05 2cuq s SER 3 Ca -0.08 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.02 2cuq s SER 3 Cb -0.11 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2cuq s SER 3 CO -0.00 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.32 2cuq n GLY 4 N -0.29 4.21 3.46 3.44 0.00 -1.26 -5.17 105.19 109.58 2cuq n GLY 4 Ca -0.01 -2.10 -0.11 0.00 0.00 0.00 0.00 46.02 43.80 2cuq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cuq s SER 5 N -0.43 -0.51 0.33 1.61 0.01 -1.26 -5.19 113.70 108.27 2cuq s SER 5 Ca 0.00 0.07 -0.02 0.00 1.31 0.00 0.00 55.95 57.31 2cuq s SER 5 Cb 0.00 0.52 -0.00 0.00 0.21 0.00 0.00 66.02 66.75 2cuq s SER 5 CO 0.00 -0.82 0.44 -0.44 0.41 0.00 0.00 173.24 172.84 2cuq s SER 6 N -2.49 0.90 -0.39 2.44 0.01 -1.26 -5.13 113.70 107.77 2cuq s SER 6 Ca 0.01 -1.47 -0.02 0.00 1.31 0.00 0.00 55.95 55.78 2cuq s SER 6 Cb -0.01 0.64 0.23 0.00 0.21 0.00 0.00 66.02 67.08 2cuq s SER 6 CO -0.09 -1.25 1.03 0.61 0.41 0.00 0.00 173.24 173.95 2cuq n GLY 7 N -0.55 -1.29 3.77 3.44 0.00 -1.26 -5.16 105.19 104.14 2cuq n GLY 7 Ca 0.01 0.93 -0.32 0.00 0.00 0.00 0.00 46.02 46.64 2cuq n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cuq s PRO 8 N 0.73 2.52 1.13 1.61 0.04 -1.26 -5.04 135.00 134.73 2cuq s PRO 8 Ca 0.26 1.28 -0.18 0.00 0.04 0.00 0.00 61.00 62.40 2cuq s PRO 8 Cb 0.13 -1.92 0.26 0.00 0.04 0.00 0.00 34.50 33.01 2cuq s PRO 8 CO -0.11 -1.46 1.16 0.00 0.04 0.00 0.00 177.00 176.64 2cuq s TYR 10 N -3.21 -0.73 -0.01 0.00 2.02 -1.26 -5.16 117.35 109.00 2cuq s TYR 10 Ca 0.71 1.44 -0.01 0.00 -0.37 0.00 0.00 57.07 58.84 2cuq s TYR 10 Cb -0.09 0.28 0.00 0.00 -0.40 0.00 0.00 41.96 41.75 2cuq s TYR 10 CO 0.55 -0.44 0.02 -2.00 -1.57 0.00 0.00 175.55 172.12 2cuq s GLU 11 N 2.26 0.05 -0.75 -0.62 2.12 -1.26 -5.10 118.70 115.40 2cuq s GLU 11 Ca -0.04 -0.02 0.02 0.00 0.36 0.00 0.00 54.97 55.30 2cuq s GLU 11 Cb -0.11 0.02 0.18 0.00 0.26 0.00 0.00 34.13 34.49 2cuq s GLU 11 CO -0.13 -0.01 0.57 -0.80 -0.54 0.00 0.00 175.26 174.36 2cuq s ASN 12 N -0.11 5.22 0.12 -1.70 -0.87 -1.26 -5.06 114.94 111.28 2cuq s ASN 12 Ca -0.01 -3.70 0.10 0.00 -1.57 0.00 0.00 52.86 47.68 2cuq s ASN 12 Cb -0.01 -1.74 -0.04 0.00 -0.02 0.00 0.00 41.25 39.44 2cuq s ASN 12 CO -0.00 -0.14 -0.26 -1.59 -2.57 0.00 0.00 177.10 172.54 2cuq s LYS 13 N -1.27 1.34 -0.37 -0.60 -2.85 -1.26 -5.11 119.74 109.62 2cuq s LYS 13 Ca 0.25 -1.31 -0.05 0.00 -1.00 0.00 0.00 55.97 53.86 2cuq s LYS 13 Cb -0.08 -1.79 0.07 0.00 -2.06 0.00 0.00 37.83 33.97 2cuq s LYS 13 CO -0.13 0.42 0.14 -0.06 0.10 0.00 0.00 175.35 175.82 2cuq s PHE 14 N -1.08 3.35 -0.17 1.78 0.08 -1.26 -5.06 117.98 115.62 2cuq s PHE 14 Ca 0.12 -1.77 -0.29 0.00 0.12 0.00 0.00 56.93 55.12 2cuq s PHE 14 Cb -0.10 -2.62 0.10 0.00 -0.57 0.00 0.00 43.02 39.83 2cuq s PHE 14 CO 0.06 -0.83 0.88 0.00 -0.10 0.00 0.00 175.22 175.23 2cuq s ALA 15 N 1.32 -1.88 0.39 5.36 0.00 -1.26 -5.11 121.76 120.58 2cuq s ALA 15 Ca 0.01 1.64 -0.26 0.00 0.00 0.00 0.00 51.96 53.35 2cuq s ALA 15 Cb -0.21 -0.75 -0.09 0.00 0.00 0.00 0.00 23.12 22.08 2cuq s ALA 15 CO 0.00 -0.31 1.19 -1.25 0.00 0.00 0.00 175.76 175.39 2cuq s PRO 16 N -0.63 4.08 -0.01 0.00 0.04 -1.26 -4.85 135.00 132.37 2cuq s PRO 16 Ca -0.03 1.90 0.06 0.00 0.04 0.00 0.00 61.00 62.98 2cuq s PRO 16 Cb -0.02 -2.73 -0.02 0.00 0.04 0.00 0.00 34.50 31.77 2cuq s PRO 16 CO 0.02 -0.32 -0.20 1.03 0.04 0.00 0.00 177.00 177.57 2cuq s ARG 17 N -2.23 1.61 -0.15 4.56 0.52 -1.26 -0.58 118.95 121.43 2cuq s ARG 17 Ca 0.56 -0.72 -0.41 0.00 -0.52 0.00 0.00 55.73 54.65 2cuq s ARG 17 Cb -0.32 -1.56 -0.18 0.00 0.52 0.00 0.00 34.95 33.40 2cuq s ARG 17 CO 0.41 0.43 1.41 0.00 0.02 0.00 0.00 175.30 177.57 2cuq h ALA 19 N 4.79 1.01 0.00 0.00 0.00 0.69 2.06 119.26 127.82 2cuq h ALA 19 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2cuq h ALA 19 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2cuq h ALA 19 CO 0.82 -0.01 -0.36 -2.13 0.00 0.00 0.00 179.25 177.58 2cuq n ARG 20 N -2.62 0.27 0.09 0.00 3.00 -1.26 -4.69 116.66 111.45 2cuq n ARG 20 Ca -0.02 0.34 -0.21 0.00 -0.00 0.00 0.00 57.85 57.96 2cuq n ARG 20 Cb 0.06 -1.23 -0.15 0.00 0.00 0.00 0.00 32.46 31.13 2cuq n ARG 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2cuq n SER 22 N -3.59 -2.45 0.00 0.00 2.88 0.70 -4.92 113.62 106.24 2cuq n SER 22 Ca -0.19 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 56.91 2cuq n SER 22 Cb 1.07 -3.79 0.00 0.00 -0.75 0.00 0.00 64.21 60.75 2cuq n SER 22 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2cuq n LYS 23 N -3.29 0.00 -3.58 -1.46 5.02 -1.26 -4.77 118.16 108.82 2cuq n LYS 23 Ca -0.18 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.01 2cuq n LYS 23 Cb 0.61 -0.16 -0.06 0.00 -0.02 0.00 0.00 35.03 35.40 2cuq n LYS 23 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2cuq s THR 24 N -0.17 0.00 -0.28 -0.18 -4.23 -1.26 -4.82 115.64 104.70 2cuq s THR 24 Ca 0.00 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 60.69 2cuq s THR 24 Cb 0.00 -1.00 0.49 0.00 1.34 0.00 0.00 72.50 73.33 2cuq s THR 24 CO 0.00 0.00 1.11 0.18 -0.54 0.00 0.00 174.62 175.37 2cuq n LEU 25 N 1.10 2.39 0.24 4.79 4.77 0.26 -4.65 117.00 125.90 2cuq n LEU 25 Ca -0.12 -3.54 -0.13 0.00 -0.03 0.00 0.00 56.01 52.19 2cuq n LEU 25 Cb 0.57 0.27 -0.07 0.00 -2.33 0.00 0.00 43.42 41.86 2cuq n LEU 25 CO 0.14 1.36 0.40 0.71 -1.33 0.00 0.00 177.39 178.67 2cuq h THR 26 N 4.50 0.28 -0.70 -5.08 1.35 -1.96 -3.26 112.91 108.04 2cuq h THR 26 Ca -0.01 -0.51 0.15 0.00 -0.55 0.00 0.00 66.41 65.49 2cuq h THR 26 Cb 1.31 0.41 -0.13 0.00 -1.73 0.00 0.00 68.15 68.01 2cuq h THR 26 CO 0.36 0.05 -0.09 1.56 -0.25 0.00 0.00 175.52 177.15 2cuq h GLN 27 N -1.05 0.05 0.00 4.72 1.08 -1.99 -3.46 115.11 114.45 2cuq h GLN 27 Ca -0.07 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2cuq h GLN 27 Cb 0.58 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 2cuq h GLN 27 CO 0.11 0.03 0.00 0.41 -0.95 0.00 0.00 178.83 178.43 2cuq n GLY 28 N -1.43 4.34 0.00 3.46 0.00 -1.23 -5.19 105.19 105.14 2cuq n GLY 28 Ca 0.10 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2cuq n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cuq n GLY 29 N -1.52 3.19 3.51 -0.02 0.00 -1.26 -4.87 105.19 104.22 2cuq n GLY 29 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2cuq n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cuq s VAL 30 N 0.73 0.00 -0.04 1.61 -7.23 -0.94 -4.82 120.40 109.72 2cuq s VAL 30 Ca 0.00 -1.55 -0.00 0.00 -1.81 0.00 0.00 61.98 58.62 2cuq s VAL 30 Cb 0.00 -2.54 0.03 0.00 0.56 0.00 0.00 36.38 34.43 2cuq s VAL 30 CO 0.00 0.00 0.00 0.28 -0.31 0.00 0.00 175.10 175.07 2cuq s THR 31 N -3.32 0.19 -0.14 5.32 -1.32 -1.26 0.01 115.64 115.12 2cuq s THR 31 Ca 0.28 0.12 0.02 0.00 -1.21 0.00 0.00 61.69 60.90 2cuq s THR 31 Cb -0.00 -0.31 0.01 0.00 -1.51 0.00 0.00 72.50 70.69 2cuq s THR 31 CO 0.17 0.17 -0.21 -0.47 -2.21 0.00 0.00 174.62 172.06 2cuq s TYR 32 N 1.27 2.60 -1.09 9.09 6.14 0.37 -4.75 117.35 130.97 2cuq s TYR 32 Ca -0.06 -1.34 -0.03 0.00 0.64 0.00 0.00 57.07 56.29 2cuq s TYR 32 Cb -0.13 -1.78 -0.03 0.00 0.42 0.00 0.00 41.96 40.44 2cuq s TYR 32 CO -0.02 -0.62 0.93 0.54 0.64 0.00 0.00 175.55 177.01 2cuq n ARG 33 N 4.16 -4.51 -3.09 4.97 1.74 -1.26 -2.30 116.66 116.37 2cuq n ARG 33 Ca -0.20 0.83 -0.21 0.00 -0.77 0.00 0.00 57.85 57.50 2cuq n ARG 33 Cb 0.51 -5.71 0.01 0.00 -1.02 0.00 0.00 32.46 26.25 2cuq n ARG 33 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2cuq n ASP 34 N -3.10 -4.41 -3.84 0.55 9.92 -1.26 -4.95 116.55 109.46 2cuq n ASP 34 Ca -0.19 -0.25 -0.12 0.00 -0.53 0.00 0.00 54.79 53.70 2cuq n ASP 34 Cb 0.64 -3.64 -0.12 0.00 -0.64 0.00 0.00 41.12 37.37 2cuq n ASP 34 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2cuq s GLN 35 N -5.74 0.29 0.06 -1.24 -0.21 -0.97 -5.14 119.66 106.71 2cuq s GLN 35 Ca 0.30 0.01 -0.31 0.00 0.02 0.00 0.00 55.36 55.38 2cuq s GLN 35 Cb -0.15 0.13 -0.07 0.00 1.00 0.00 0.00 33.01 33.92 2cuq s GLN 35 CO 0.37 -0.05 1.40 -1.25 -2.12 0.00 0.00 175.29 173.63 2cuq s PRO 36 N -0.41 4.30 0.10 2.91 0.04 -1.26 0.14 135.00 140.81 2cuq s PRO 36 Ca -0.05 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.06 2cuq s PRO 36 Cb -0.03 -3.42 -0.03 0.00 0.04 0.00 0.00 34.50 31.06 2cuq s PRO 36 CO 0.01 -0.51 -0.12 -1.58 0.04 0.00 0.00 177.00 174.84 2cuq s TRP 37 N 1.76 1.15 -0.40 0.56 0.52 0.10 0.13 118.94 122.76 2cuq s TRP 37 Ca 0.65 -0.59 -0.27 0.00 0.02 0.00 0.00 56.10 55.91 2cuq s TRP 37 Cb -0.34 -0.63 0.02 0.00 -1.15 0.00 0.00 33.47 31.37 2cuq s TRP 37 CO 0.29 0.04 1.01 -1.01 0.02 0.00 0.00 176.95 177.30 2cuq s HIS 38 N -2.10 3.00 0.30 -1.98 3.76 -1.26 -2.21 115.29 114.80 2cuq s HIS 38 Ca 0.04 0.79 0.21 0.00 -0.15 0.00 0.00 55.06 55.95 2cuq s HIS 38 Cb -0.05 -3.90 1.02 0.00 1.11 0.00 0.00 32.58 30.76 2cuq s HIS 38 CO 0.01 -0.97 1.09 -2.13 -0.85 0.00 0.00 174.74 171.89 2cuq n ARG 39 N 7.12 -0.03 -0.03 1.40 0.63 -1.26 0.19 116.66 124.68 2cuq n ARG 39 Ca 0.09 0.89 -0.15 0.00 -0.92 0.00 0.00 57.85 57.76 2cuq n ARG 39 Cb 0.48 -1.72 -0.13 0.00 0.45 0.00 0.00 32.46 31.54 2cuq n ARG 39 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 2cuq h GLU 40 N 0.00 0.10 0.42 -0.14 4.11 -1.99 -3.36 114.58 113.71 2cuq h GLU 40 Ca 0.61 -0.14 -0.02 0.00 0.07 0.00 0.00 59.36 59.88 2cuq h GLU 40 Cb 1.90 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.20 2cuq h GLU 40 CO -0.37 1.00 -0.20 0.00 0.07 0.00 0.00 179.01 179.51 2cuq n LEU 42 N -5.34 0.31 -3.91 0.00 7.94 0.86 -4.84 117.00 112.02 2cuq n LEU 42 Ca -0.11 -0.43 -0.10 0.00 -1.11 0.00 0.00 56.01 54.25 2cuq n LEU 42 Cb 0.24 -1.03 -0.10 0.00 0.53 0.00 0.00 43.42 43.07 2cuq n LEU 42 CO 0.36 -1.40 -0.21 0.68 -1.11 0.00 0.00 177.39 175.71 2cuq s VAL 43 N 7.61 0.11 0.46 1.96 -7.23 -1.26 -3.16 120.40 118.89 2cuq s VAL 43 Ca 1.22 -0.89 -0.22 0.00 -1.81 0.00 0.00 61.98 60.28 2cuq s VAL 43 Cb -0.77 -0.60 -0.11 0.00 0.56 0.00 0.00 36.38 35.46 2cuq s VAL 43 CO 0.41 -0.49 0.62 0.00 -0.31 0.00 0.00 175.10 175.33 2cuq n THR 45 N -1.01 1.32 0.07 0.00 -1.04 -0.70 -2.52 114.28 110.41 2cuq n THR 45 Ca 0.11 -0.66 0.00 0.00 -2.04 0.00 0.00 64.05 61.46 2cuq n THR 45 Cb 0.41 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 2cuq n THR 45 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2cuq n GLY 46 N 0.25 -0.15 0.09 3.41 0.00 -1.26 -4.88 105.19 102.65 2cuq n GLY 46 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 2cuq n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cuq n GLN 48 N -1.24 -5.71 -4.26 0.00 1.13 -1.05 -4.96 117.38 101.30 2cuq n GLN 48 Ca 0.05 0.72 -0.35 0.00 -1.94 0.00 0.00 57.00 55.49 2cuq n GLN 48 Cb 0.35 -5.37 -0.09 0.00 0.11 0.00 0.00 30.24 25.25 2cuq n GLN 48 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 2cuq s THR 49 N -3.30 4.51 -0.30 5.09 -1.32 -1.26 -4.70 115.64 114.36 2cuq s THR 49 Ca 0.03 -0.26 -0.29 0.00 -1.21 0.00 0.00 61.69 59.96 2cuq s THR 49 Cb -0.01 -2.95 -0.02 0.00 -1.51 0.00 0.00 72.50 68.01 2cuq s THR 49 CO 0.62 0.53 1.66 -2.16 -2.21 0.00 0.00 174.62 173.07 2cuq s PRO 50 N -1.13 3.56 -0.06 7.08 0.04 -1.26 -0.30 135.00 142.92 2cuq s PRO 50 Ca 0.16 1.44 0.08 0.00 0.04 0.00 0.00 61.00 62.72 2cuq s PRO 50 Cb -0.12 -4.10 0.35 0.00 0.04 0.00 0.00 34.50 30.67 2cuq s PRO 50 CO 0.05 -1.58 1.16 1.28 0.04 0.00 0.00 177.00 177.95 2cuq n LEU 51 N 9.29 2.58 -4.52 -3.56 4.77 -1.19 -4.87 117.00 119.50 2cuq n LEU 51 Ca 0.20 -1.30 -0.36 0.00 -0.03 0.00 0.00 56.01 54.52 2cuq n LEU 51 Cb 0.46 -0.42 -0.11 0.00 -2.33 0.00 0.00 43.42 41.02 2cuq n LEU 51 CO 0.67 0.44 2.08 0.00 -1.33 0.00 0.00 177.39 179.26 2cuq n ALA 52 N 0.39 0.54 -2.75 -1.18 0.00 -1.26 0.17 120.51 116.42 2cuq n ALA 52 Ca 0.12 -0.64 -0.13 0.00 0.00 0.00 0.00 53.44 52.79 2cuq n ALA 52 Cb 0.51 -2.69 0.02 0.00 0.00 0.00 0.00 19.45 17.29 2cuq n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cuq n GLY 53 N 6.26 -0.03 3.47 0.00 0.00 -1.26 -5.03 105.19 108.60 2cuq n GLY 53 Ca 0.54 -0.23 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 2cuq n GLY 53 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cuq s GLN 54 N -5.27 1.67 -0.47 1.61 0.74 0.13 -5.08 119.66 112.98 2cuq s GLN 54 Ca 0.20 -1.51 -0.28 0.00 0.05 0.00 0.00 55.36 53.82 2cuq s GLN 54 Cb -0.09 -1.91 0.01 0.00 1.10 0.00 0.00 33.01 32.13 2cuq s GLN 54 CO 0.24 0.40 1.40 -0.65 -0.55 0.00 0.00 175.29 176.13 2cuq s GLN 55 N -2.85 3.47 0.32 1.67 -0.21 -1.26 -4.96 119.66 115.84 2cuq s GLN 55 Ca 0.23 0.74 0.01 0.00 0.02 0.00 0.00 55.36 56.37 2cuq s GLN 55 Cb -0.08 -4.06 -0.02 0.00 1.00 0.00 0.00 33.01 29.86 2cuq s GLN 55 CO 0.12 -1.70 0.36 -0.59 -2.12 0.00 0.00 175.29 171.35 2cuq s PHE 56 N 5.65 1.34 0.06 0.91 -0.12 -1.26 -4.01 117.98 120.56 2cuq s PHE 56 Ca 0.58 -1.44 0.01 0.00 -0.05 0.00 0.00 56.93 56.02 2cuq s PHE 56 Cb -0.12 -0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 41.85 2cuq s PHE 56 CO 0.30 -0.97 -0.05 -0.08 -0.05 0.00 0.00 175.22 174.37 2cuq s THR 57 N -3.35 0.41 -0.09 -4.49 -1.32 -0.23 -4.94 115.64 101.63 2cuq s THR 57 Ca 0.35 -1.63 -0.04 0.00 -1.21 0.00 0.00 61.69 59.16 2cuq s THR 57 Cb 0.01 -1.28 -0.04 0.00 -1.51 0.00 0.00 72.50 69.68 2cuq s THR 57 CO 0.22 -0.81 0.10 -0.44 -2.21 0.00 0.00 174.62 171.49 2cuq s SER 58 N -2.59 6.02 -0.02 8.08 0.01 -1.26 -0.27 113.70 123.67 2cuq s SER 58 Ca 0.03 0.34 -0.00 0.00 1.31 0.00 0.00 55.95 57.63 2cuq s SER 58 Cb 0.02 -1.86 0.02 0.00 0.21 0.00 0.00 66.02 64.41 2cuq s SER 58 CO -0.06 0.37 0.04 -0.60 0.41 0.00 0.00 173.24 173.40 2cuq s ARG 59 N -1.17 -0.01 -1.67 12.44 6.06 0.65 -4.85 118.95 130.40 2cuq s ARG 59 Ca 0.17 0.15 -0.18 0.00 -2.50 0.00 0.00 55.73 53.37 2cuq s ARG 59 Cb -0.12 -0.16 0.16 0.00 0.06 0.00 0.00 34.95 34.89 2cuq s ARG 59 CO 0.06 -0.12 0.76 -0.25 -2.50 0.00 0.00 175.30 173.25 2cuq n ASP 60 N 3.84 -3.30 -2.67 -2.12 9.92 -1.26 0.06 116.55 121.04 2cuq n ASP 60 Ca -0.23 -0.96 -0.15 0.00 -0.53 0.00 0.00 54.79 52.92 2cuq n ASP 60 Cb 0.53 -2.71 0.06 0.00 -0.64 0.00 0.00 41.12 38.36 2cuq n ASP 60 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2cuq n GLU 61 N -4.30 -5.26 -3.69 -1.24 1.02 -1.26 -5.03 120.64 100.88 2cuq n GLU 61 Ca 0.08 0.58 -0.11 0.00 -0.02 0.00 0.00 57.16 57.69 2cuq n GLU 61 Cb 0.49 -4.85 -0.11 0.00 -0.02 0.00 0.00 31.44 26.94 2cuq n GLU 61 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2cuq s ASP 62 N -3.45 -0.25 -0.33 1.62 1.01 0.11 -5.12 116.67 110.25 2cuq s ASP 62 Ca 0.28 0.78 -0.29 0.00 0.71 0.00 0.00 52.55 54.04 2cuq s ASP 62 Cb -0.12 0.81 -0.01 0.00 1.01 0.00 0.00 42.92 44.60 2cuq s ASP 62 CO 0.51 -0.20 1.69 -2.16 0.21 0.00 0.00 175.17 175.21 2cuq s PRO 63 N 1.81 3.45 -0.04 8.23 0.04 -1.26 -0.25 135.00 146.98 2cuq s PRO 63 Ca -0.06 1.35 0.06 0.00 0.04 0.00 0.00 61.00 62.39 2cuq s PRO 63 Cb -0.10 -4.14 -0.02 0.00 0.04 0.00 0.00 34.50 30.28 2cuq s PRO 63 CO -0.11 -1.71 -0.21 0.71 0.04 0.00 0.00 177.00 175.72 2cuq s TYR 64 N 6.33 2.50 0.40 0.56 2.02 0.62 -1.72 117.35 128.06 2cuq s TYR 64 Ca 0.75 -0.37 -0.18 0.00 -0.37 0.00 0.00 57.07 56.90 2cuq s TYR 64 Cb -0.21 -1.57 -0.10 0.00 -0.40 0.00 0.00 41.96 39.68 2cuq s TYR 64 CO 0.33 0.02 0.87 0.00 -1.57 0.00 0.00 175.55 175.20 2cuq h VAL 66 N 1.78 0.34 -0.71 0.00 2.07 -1.93 0.80 116.25 118.60 2cuq h VAL 66 Ca -0.48 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 2cuq h VAL 66 Cb 1.18 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 2cuq h VAL 66 CO 0.63 0.04 0.35 0.00 0.02 0.00 0.00 177.57 178.61 2cuq h ALA 67 N 1.58 1.27 0.02 1.67 0.00 -1.91 -1.88 119.26 120.00 2cuq h ALA 67 Ca 0.69 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 55.32 2cuq h ALA 67 Cb 2.06 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 2cuq h ALA 67 CO -0.31 0.57 -0.77 0.00 0.00 0.00 0.00 179.25 178.74 2cuq h PHE 69 N -0.90 0.27 -0.60 0.00 3.57 -0.50 0.58 116.94 119.37 2cuq h PHE 69 Ca -0.20 0.05 -0.27 0.00 3.53 0.00 0.00 57.97 61.08 2cuq h PHE 69 Cb 1.25 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 39.83 2cuq h PHE 69 CO 0.18 -0.14 0.34 0.41 -2.23 0.00 0.00 178.31 176.86 2cuq n GLY 70 N -1.37 3.39 0.99 2.40 0.00 -0.71 -3.18 105.19 106.71 2cuq n GLY 70 Ca 0.17 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2cuq n GLY 70 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2cuq n GLU 71 N -0.36 0.00 -0.01 1.61 4.07 0.16 -4.67 120.64 121.44 2cuq n GLU 71 Ca 0.35 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.44 2cuq n GLU 71 Cb 1.19 -0.34 -0.00 0.00 -0.06 0.00 0.00 31.44 32.23 2cuq n GLU 71 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2cuq h LEU 72 N 0.00 -0.03 -0.26 4.31 4.07 -0.47 -3.39 115.31 119.54 2cuq h LEU 72 Ca 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.88 2cuq h LEU 72 Cb 0.25 0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 2cuq h LEU 72 CO 0.00 0.22 -0.16 -0.26 -1.08 0.00 0.00 178.44 177.17 2cuq h PHE 73 N -0.53 0.67 -3.46 1.13 0.04 -1.73 -3.41 116.94 109.65 2cuq h PHE 73 Ca -0.00 -0.17 -0.60 0.00 2.80 0.00 0.00 57.97 59.99 2cuq h PHE 73 Cb 0.03 -0.15 -0.10 0.00 2.20 0.00 0.00 35.95 37.93 2cuq h PHE 73 CO 0.01 0.84 0.44 0.00 -0.60 0.00 0.00 178.31 179.00 2cuq s ALA 74 N -4.53 3.49 0.05 2.45 0.00 -1.19 -4.94 121.76 117.09 2cuq s ALA 74 Ca -0.13 -0.47 -0.20 0.00 0.00 0.00 0.00 51.96 51.16 2cuq s ALA 74 Cb 0.08 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 19.71 2cuq s ALA 74 CO 0.79 -1.34 1.43 0.77 0.00 0.00 0.00 175.76 177.41 2cuq h SER 75 N 8.26 0.34 -3.49 0.00 0.02 -1.80 -3.29 113.55 113.58 2cuq h SER 75 Ca -0.24 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 2cuq h SER 75 Cb 1.09 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.54 2cuq h SER 75 CO 0.91 0.65 0.00 0.61 -1.14 0.00 0.00 176.83 177.86 2cuq n GLY 76 N -0.08 3.50 0.07 -3.77 0.00 -1.26 -3.91 105.19 99.74 2cuq n GLY 76 Ca -0.05 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 2cuq n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cuq h PRO 77 N 0.00 -0.05 -1.09 1.61 0.13 -1.95 -3.30 132.00 127.35 2cuq h PRO 77 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.49 2cuq h PRO 77 Cb 0.00 0.01 -0.34 0.00 0.13 0.00 0.00 31.00 30.80 2cuq h PRO 77 CO 0.00 0.42 0.28 -1.13 -0.23 0.00 0.00 178.00 177.34 2cuq n SER 78 N -4.88 6.65 -3.64 1.44 3.41 -1.26 -4.87 113.62 110.47 2cuq n SER 78 Ca -0.08 -3.78 -0.24 0.00 -0.26 0.00 0.00 58.87 54.50 2cuq n SER 78 Cb 0.25 -0.76 0.07 0.00 -0.26 0.00 0.00 64.21 63.51 2cuq n SER 78 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cuq n SER 79 N -0.78 -5.37 -0.95 4.04 7.64 -1.24 -5.25 113.62 111.71 2cuq n SER 79 Ca 0.54 -0.60 0.12 0.00 1.01 0.00 0.00 58.87 59.94 2cuq n SER 79 Cb 0.70 -4.81 0.10 0.00 -1.01 0.00 0.00 64.21 59.19 2cuq n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64