#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yut s ALA 2 N 0.00 -2.86 0.00 3.04 0.00 -1.26 -5.16 121.76 115.52 1yut s ALA 2 Ca 0.00 1.97 0.00 0.00 0.00 0.00 0.00 51.96 53.93 1yut s ALA 2 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1yut s ALA 2 CO 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 175.76 174.78 1yut n ALA 3 N 4.91 -1.00 -1.60 0.00 0.00 -1.26 -5.07 120.51 116.49 1yut n ALA 3 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.28 1yut n ALA 3 Cb 0.53 -0.20 0.07 0.00 0.00 0.00 0.00 19.45 19.85 1yut n ALA 3 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1yut n GLU 4 N 1.62 -0.25 -1.22 0.00 2.13 -1.26 -5.06 120.64 116.60 1yut n GLU 4 Ca 0.00 -0.80 -0.29 0.00 0.66 0.00 0.00 57.16 56.72 1yut n GLU 4 Cb 0.00 -0.42 0.14 0.00 0.27 0.00 0.00 31.44 31.43 1yut n GLU 4 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1yut s PRO 5 N -3.86 1.09 0.00 5.31 0.04 -1.26 -5.04 135.00 131.28 1yut s PRO 5 Ca 0.26 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1yut s PRO 5 Cb -0.01 -1.80 -0.00 0.00 0.04 0.00 0.00 34.50 32.73 1yut s PRO 5 CO 0.18 -2.33 -0.01 -0.51 0.04 0.00 0.00 177.00 174.37 1yut s LEU 6 N -6.26 2.04 0.00 -3.56 1.43 -1.26 -5.09 118.68 105.99 1yut s LEU 6 Ca 0.64 -0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 53.55 1yut s LEU 6 Cb -0.18 -0.03 0.13 0.00 0.03 0.00 0.00 46.19 46.14 1yut s LEU 6 CO 0.57 -0.04 0.78 1.07 0.23 0.00 0.00 176.35 178.96 1yut n THR 7 N 2.81 0.00 0.04 5.49 5.66 -1.26 -4.72 114.28 122.30 1yut n THR 7 Ca -0.14 -0.63 -0.11 0.00 -3.05 0.00 0.00 64.05 60.11 1yut n THR 7 Cb 0.59 -1.63 -0.07 0.00 -1.55 0.00 0.00 70.33 67.67 1yut n THR 7 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1yut h GLU 8 N 0.00 -0.46 -0.90 1.09 4.81 -2.02 0.29 114.58 117.39 1yut h GLU 8 Ca -0.25 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 1yut h GLU 8 Cb 0.72 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.16 1yut h GLU 8 CO 0.19 -0.30 0.49 -0.07 -0.73 0.00 0.00 179.01 178.59 1yut h LEU 9 N -0.47 1.13 -0.78 1.64 3.38 -1.98 -1.46 115.31 116.75 1yut h LEU 9 Ca 0.01 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1yut h LEU 9 Cb 0.51 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 1yut h LEU 9 CO -0.25 0.90 0.48 -0.33 0.09 0.00 0.00 178.44 179.33 1yut h GLU 10 N 1.26 0.88 0.14 1.13 5.08 -1.74 0.10 114.58 121.44 1yut h GLU 10 Ca 0.32 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1yut h GLU 10 Cb 0.03 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1yut h GLU 10 CO -0.05 0.58 -0.07 0.93 -1.00 0.00 0.00 179.01 179.40 1yut h GLU 11 N 0.90 -0.19 0.00 2.33 5.08 0.21 -1.48 114.58 121.43 1yut h GLU 11 Ca 0.33 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.67 1yut h GLU 11 Cb 0.11 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1yut h GLU 11 CO -0.15 -0.13 -0.18 0.66 -1.00 0.00 0.00 179.01 178.21 1yut h SER 12 N -0.20 0.00 0.52 1.42 4.64 -0.61 0.92 113.55 120.25 1yut h SER 12 Ca -0.02 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.09 1yut h SER 12 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1yut h SER 12 CO 0.03 0.18 -0.92 0.16 -0.87 0.00 0.00 176.83 175.41 1yut h ILE 13 N 0.00 1.47 0.42 0.95 -0.00 -0.80 -3.33 117.51 116.23 1yut h ILE 13 Ca -0.00 -2.62 -0.02 0.00 -0.00 0.00 0.00 64.86 62.22 1yut h ILE 13 Cb 0.74 2.49 0.00 0.00 -0.00 0.00 0.00 36.82 40.05 1yut h ILE 13 CO 0.02 0.77 -0.21 -0.08 -0.00 0.00 0.00 178.15 178.65 1yut h GLU 14 N 0.14 -0.55 -1.00 0.16 4.22 0.02 -2.90 114.58 114.67 1yut h GLU 14 Ca -0.06 0.04 0.21 0.00 0.08 0.00 0.00 59.36 59.63 1yut h GLU 14 Cb 1.56 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 30.84 1yut h GLU 14 CO 0.15 -0.37 0.62 0.00 -2.18 0.00 0.00 179.01 177.22 1yut h THR 15 N -0.58 0.65 -0.08 0.32 1.03 -1.01 0.55 112.91 113.79 1yut h THR 15 Ca -0.06 -0.22 -0.21 0.00 -0.01 0.00 0.00 66.41 65.92 1yut h THR 15 Cb 0.44 -0.04 0.00 0.00 -1.07 0.00 0.00 68.15 67.48 1yut h THR 15 CO 0.09 0.12 -0.80 -0.37 -0.01 0.00 0.00 175.52 174.55 1yut h VAL 16 N 0.63 1.34 -0.03 0.00 -1.51 -1.69 -2.10 116.25 112.90 1yut h VAL 16 Ca 0.58 -2.14 -0.00 0.00 -1.23 0.00 0.00 66.70 63.91 1yut h VAL 16 Cb 1.09 2.13 -0.00 0.00 -2.13 0.00 0.00 31.29 32.38 1yut h VAL 16 CO -0.36 0.65 0.02 0.58 -1.23 0.00 0.00 177.57 177.24 1yut h VAL 17 N 0.36 1.06 -0.84 7.19 2.07 0.19 0.83 116.25 127.10 1yut h VAL 17 Ca -0.05 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1yut h VAL 17 Cb 1.40 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 1yut h VAL 17 CO 0.15 0.05 0.56 0.00 0.02 0.00 0.00 177.57 178.34 1yut h THR 18 N -0.01 1.21 0.06 2.57 1.03 -0.87 0.14 112.91 117.04 1yut h THR 18 Ca 0.01 -0.39 0.02 0.00 -0.01 0.00 0.00 66.41 66.04 1yut h THR 18 Cb 0.06 -0.02 -0.03 0.00 -1.07 0.00 0.00 68.15 67.09 1yut h THR 18 CO -0.00 0.21 -0.16 0.74 -0.01 0.00 0.00 175.52 176.29 1yut h THR 19 N 1.13 0.62 -0.58 0.00 2.02 -1.09 0.79 112.91 115.80 1yut h THR 19 Ca 0.31 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.56 1yut h THR 19 Cb -0.12 0.62 -0.10 0.00 -1.74 0.00 0.00 68.15 66.81 1yut h THR 19 CO -0.07 0.00 -0.50 0.15 0.37 0.00 0.00 175.52 175.47 1yut h PHE 20 N -0.29 -1.53 0.08 3.16 3.04 -0.40 -2.31 116.94 118.68 1yut h PHE 20 Ca 0.03 0.09 -0.00 0.00 3.98 0.00 0.00 57.97 62.07 1yut h PHE 20 Cb 0.33 0.75 0.00 0.00 2.56 0.00 0.00 35.95 39.59 1yut h PHE 20 CO -0.18 -0.44 -0.04 0.35 -2.02 0.00 0.00 178.31 175.98 1yut h PHE 21 N -0.26 -0.09 -0.96 0.41 3.57 -0.13 0.20 116.94 119.68 1yut h PHE 21 Ca 0.14 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.71 1yut h PHE 21 Cb 0.56 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.26 1yut h PHE 21 CO -0.76 0.08 0.61 1.79 -2.23 0.00 0.00 178.31 177.79 1yut h THR 22 N -0.25 1.04 0.20 4.41 1.35 -0.77 -0.07 112.91 118.81 1yut h THR 22 Ca -0.01 -0.37 -0.01 0.00 -0.55 0.00 0.00 66.41 65.47 1yut h THR 22 Cb 0.22 -0.13 0.00 0.00 -1.73 0.00 0.00 68.15 66.51 1yut h THR 22 CO 0.02 0.20 -0.09 -0.26 -0.25 0.00 0.00 175.52 175.13 1yut h PHE 23 N 1.08 -0.25 -0.00 4.73 -1.00 -1.18 -3.34 116.94 116.98 1yut h PHE 23 Ca 0.43 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.20 1yut h PHE 23 Cb 0.23 0.08 -0.00 0.00 3.61 0.00 0.00 35.95 39.87 1yut h PHE 23 CO -0.01 0.15 0.00 0.00 -1.61 0.00 0.00 178.31 176.83 1yut h ALA 24 N -0.11 1.03 -0.35 2.45 0.00 0.24 0.50 119.26 123.03 1yut h ALA 24 Ca -0.03 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1yut h ALA 24 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1yut h ALA 24 CO 0.04 -0.00 0.28 0.07 0.00 0.00 0.00 179.25 179.64 1yut h ARG 25 N 0.00 0.00 0.11 0.00 -0.00 -1.17 -3.29 114.38 110.03 1yut h ARG 25 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1yut h ARG 25 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 29.95 1yut h ARG 25 CO -0.00 0.00 -0.28 0.37 -0.00 0.00 0.00 179.97 180.06 1yut h GLN 26 N 0.00 -0.42 0.00 0.08 5.75 -1.13 -3.39 115.11 116.00 1yut h GLN 26 Ca 0.17 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 1yut h GLN 26 Cb 0.72 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.37 1yut h GLN 26 CO -0.00 -0.28 0.00 0.39 -2.65 0.00 0.00 178.83 176.29 1yut n GLU 27 N -4.06 0.00 -3.30 1.69 1.02 -1.26 -4.93 120.64 109.81 1yut n GLU 27 Ca -0.05 0.05 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 1yut n GLU 27 Cb 0.23 -0.37 -0.01 0.00 -0.02 0.00 0.00 31.44 31.27 1yut n GLU 27 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1yut s GLY 28 N -1.24 1.37 -0.09 0.62 0.00 -1.26 -5.07 107.32 101.64 1yut s GLY 28 Ca 0.00 -0.90 -0.07 0.00 0.00 0.00 0.00 44.72 43.76 1yut s GLY 28 CO 0.00 -0.82 0.13 -2.13 0.00 0.00 0.00 173.10 170.28 1yut n ARG 29 N -1.84 -3.31 -0.26 2.90 0.63 -1.26 -4.68 116.66 108.84 1yut n ARG 29 Ca -0.04 2.56 -0.04 0.00 -0.92 0.00 0.00 57.85 59.41 1yut n ARG 29 Cb 0.56 -3.35 0.07 0.00 0.45 0.00 0.00 32.46 30.19 1yut n ARG 29 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 1yut h LYS 30 N 4.47 0.91 0.00 -0.14 2.10 -1.79 -3.06 116.57 119.06 1yut h LYS 30 Ca -0.30 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 1yut h LYS 30 Cb 0.68 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1yut h LYS 30 CO 0.01 0.60 0.00 -0.25 -2.00 0.00 0.00 179.45 177.81 1yut n ASP 31 N -4.61 0.30 -4.07 7.07 9.92 -1.26 -4.37 116.55 119.54 1yut n ASP 31 Ca 0.07 0.61 -0.21 0.00 -0.53 0.00 0.00 54.79 54.73 1yut n ASP 31 Cb 0.05 -0.66 -0.15 0.00 -0.64 0.00 0.00 41.12 39.71 1yut n ASP 31 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1yut s SER 32 N -3.56 1.46 0.20 -2.24 1.04 -1.15 -4.07 113.70 105.38 1yut s SER 32 Ca 0.01 -0.23 -0.30 0.00 0.48 0.00 0.00 55.95 55.92 1yut s SER 32 Cb 0.05 -0.24 -0.08 0.00 0.10 0.00 0.00 66.02 65.85 1yut s SER 32 CO 0.18 0.13 1.21 -0.76 0.98 0.00 0.00 173.24 174.99 1yut s LEU 33 N -0.14 4.45 0.30 2.42 2.01 0.32 -4.80 118.68 123.24 1yut s LEU 33 Ca 0.02 2.27 0.11 0.00 0.01 0.00 0.00 54.13 56.54 1yut s LEU 33 Cb -0.06 -3.61 -0.05 0.00 0.01 0.00 0.00 46.19 42.47 1yut s LEU 33 CO 0.00 -0.39 -0.12 -0.44 1.01 0.00 0.00 176.35 176.41 1yut s SER 34 N 0.10 3.82 -0.81 2.29 0.01 -1.26 -0.60 113.70 117.24 1yut s SER 34 Ca 0.53 -1.03 -0.02 0.00 1.31 0.00 0.00 55.95 56.74 1yut s SER 34 Cb -0.33 -0.41 0.34 0.00 0.21 0.00 0.00 66.02 65.83 1yut s SER 34 CO 0.38 -0.07 2.08 0.55 0.41 0.00 0.00 173.24 176.58 1yut n VAL 35 N -0.74 3.58 -2.76 3.43 3.14 -1.26 -1.05 118.33 122.66 1yut n VAL 35 Ca -0.05 -4.14 -0.09 0.00 -2.96 0.00 0.00 64.34 57.10 1yut n VAL 35 Cb 0.61 -1.26 0.08 0.00 -1.06 0.00 0.00 33.84 32.22 1yut n VAL 35 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1yut n ASN 36 N -0.47 -1.49 0.06 6.55 5.15 -1.26 -4.70 115.26 119.10 1yut n ASN 36 Ca 0.54 -3.05 0.00 0.00 -0.60 0.00 0.00 54.58 51.47 1yut n ASN 36 Cb 0.27 1.08 0.00 0.00 -0.53 0.00 0.00 39.78 40.61 1yut n ASN 36 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1yut n GLU 37 N -0.06 0.00 0.40 1.20 1.02 -0.83 -4.66 120.64 117.71 1yut n GLU 37 Ca 0.05 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.00 1yut n GLU 37 Cb 0.77 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 32.09 1yut n GLU 37 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1yut h PHE 38 N 0.00 -1.15 -0.64 -0.32 3.04 -1.41 0.23 116.94 116.68 1yut h PHE 38 Ca 0.00 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 1yut h PHE 38 Cb 0.00 0.41 -0.03 0.00 2.56 0.00 0.00 35.95 38.89 1yut h PHE 38 CO 0.00 -0.66 0.37 -0.22 -2.02 0.00 0.00 178.31 175.78 1yut h LYS 39 N -1.10 0.86 -0.99 1.11 3.64 -1.84 0.21 116.57 118.47 1yut h LYS 39 Ca -0.10 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1yut h LYS 39 Cb 0.88 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.45 1yut h LYS 39 CO 0.11 0.61 0.64 0.93 -2.27 0.00 0.00 179.45 179.47 1yut h GLU 40 N 0.88 1.16 -0.31 1.90 5.08 -1.81 0.35 114.58 121.82 1yut h GLU 40 Ca 0.23 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.40 1yut h GLU 40 Cb -0.02 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1yut h GLU 40 CO -0.04 0.76 -0.27 1.25 -1.00 0.00 0.00 179.01 179.71 1yut h LEU 41 N 1.19 0.78 -0.14 1.33 5.85 0.26 0.19 115.31 124.76 1yut h LEU 41 Ca 0.42 -0.46 -0.13 0.00 0.84 0.00 0.00 57.88 58.55 1yut h LEU 41 Cb 0.12 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1yut h LEU 41 CO -0.16 1.07 -0.43 -0.37 -0.34 0.00 0.00 178.44 178.21 1yut h VAL 42 N 0.49 1.35 0.18 1.05 -1.51 -1.02 0.31 116.25 117.11 1yut h VAL 42 Ca 0.05 -1.71 0.01 0.00 -1.23 0.00 0.00 66.70 63.82 1yut h VAL 42 Cb 0.84 2.05 -0.02 0.00 -2.13 0.00 0.00 31.29 32.03 1yut h VAL 42 CO 0.07 0.52 -0.20 0.74 -1.23 0.00 0.00 177.57 177.46 1yut h THR 43 N 0.17 0.55 0.00 7.19 2.02 -0.90 -2.50 112.91 119.44 1yut h THR 43 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1yut h THR 43 Cb 1.05 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1yut h THR 43 CO 0.09 0.00 -0.06 -0.61 0.37 0.00 0.00 175.52 175.31 1yut h GLN 44 N -0.43 0.00 0.00 6.66 4.15 -0.64 -3.39 115.11 121.47 1yut h GLN 44 Ca 0.01 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.34 1yut h GLN 44 Cb 0.41 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1yut h GLN 44 CO -0.06 0.00 -0.47 0.37 -1.93 0.00 0.00 178.83 176.74 1yut h GLN 45 N -0.89 0.01 0.00 1.69 5.75 -0.58 -3.39 115.11 117.69 1yut h GLN 45 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1yut h GLN 45 Cb 0.06 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.61 1yut h GLN 45 CO 0.00 1.01 -0.13 -0.07 -2.65 0.00 0.00 178.83 176.99 1yut h LEU 46 N -0.98 0.00 -0.75 -2.39 -0.00 -1.24 -3.45 115.31 106.50 1yut h LEU 46 Ca -0.13 -0.04 0.15 0.00 -0.00 0.00 0.00 57.88 57.86 1yut h LEU 46 Cb 1.13 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 41.69 1yut h LEU 46 CO -0.07 0.02 0.28 1.55 -0.00 0.00 0.00 178.44 180.22 1yut h PRO 47 N 0.00 0.40 -0.81 1.13 0.13 -1.64 0.35 132.00 131.57 1yut h PRO 47 Ca 0.00 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 65.11 1yut h PRO 47 Cb 0.78 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 31.78 1yut h PRO 47 CO 0.00 0.27 0.53 1.25 -0.23 0.00 0.00 178.00 179.81 1yut h HIS 48 N 0.41 1.02 0.04 1.56 -0.00 -1.89 -2.87 115.15 113.42 1yut h HIS 48 Ca 0.42 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.80 1yut h HIS 48 Cb 0.64 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.71 1yut h HIS 48 CO -0.18 0.65 -0.02 1.25 -0.00 0.00 0.00 177.93 179.63 1yut h LEU 49 N 1.09 -0.04 -7.14 0.26 5.85 -0.72 -3.32 115.31 111.28 1yut h LEU 49 Ca 0.29 0.00 -0.71 0.00 0.84 0.00 0.00 57.88 58.31 1yut h LEU 49 Cb -0.12 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 40.83 1yut h LEU 49 CO -0.06 0.37 2.35 0.18 -0.34 0.00 0.00 178.44 180.93 1yut n LEU 50 N -4.36 5.73 -3.13 2.25 4.77 -0.47 -4.82 117.00 116.97 1yut n LEU 50 Ca -0.01 -4.14 -0.15 0.00 -0.03 0.00 0.00 56.01 51.69 1yut n LEU 50 Cb 0.02 -1.68 -0.01 0.00 -2.33 0.00 0.00 43.42 39.42 1yut n LEU 50 CO 0.02 0.64 1.86 2.29 -1.33 0.00 0.00 177.39 180.87 1yut n LYS 51 N 6.86 1.31 -2.66 3.23 -0.00 -1.08 -2.53 118.16 123.28 1yut n LYS 51 Ca 0.47 -1.12 -0.03 0.00 -0.00 0.00 0.00 58.31 57.63 1yut n LYS 51 Cb 0.42 -2.30 0.05 0.00 -0.00 0.00 0.00 35.03 33.21 1yut n LYS 51 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1yut n ASP 52 N 4.61 -1.13 -0.03 -5.58 2.03 -1.26 -4.99 116.55 110.20 1yut n ASP 52 Ca 0.29 -1.68 0.06 0.00 0.52 0.00 0.00 54.79 53.98 1yut n ASP 52 Cb 0.09 1.06 0.44 0.00 -0.72 0.00 0.00 41.12 41.99 1yut n ASP 52 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1yut h VAL 53 N 0.28 1.04 0.26 5.18 -1.51 -1.80 -3.30 116.25 116.41 1yut h VAL 53 Ca -0.45 -0.18 -0.01 0.00 -1.23 0.00 0.00 66.70 64.83 1yut h VAL 53 Cb 1.23 0.47 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 1yut h VAL 53 CO -0.11 0.10 -0.22 1.23 -1.23 0.00 0.00 177.57 177.34 1yut h GLY 54 N 0.53 -0.90 -3.45 5.19 0.00 -1.94 -3.09 103.07 99.41 1yut h GLY 54 Ca 0.19 0.40 -0.33 0.00 0.00 0.00 0.00 47.33 47.59 1yut h GLY 54 CO -0.05 -0.30 0.43 -1.26 0.00 0.00 0.00 176.54 175.36 1yut n SER 55 N -3.70 6.28 -0.31 0.19 2.88 -1.25 -4.49 113.62 113.22 1yut n SER 55 Ca -0.06 -3.07 0.08 0.00 -1.33 0.00 0.00 58.87 54.50 1yut n SER 55 Cb 0.21 -1.03 0.19 0.00 -0.75 0.00 0.00 64.21 62.84 1yut n SER 55 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1yut h LEU 56 N 2.39 -0.58 -0.98 2.46 7.12 -1.61 -1.75 115.31 122.35 1yut h LEU 56 Ca 0.30 0.26 0.33 0.00 0.13 0.00 0.00 57.88 58.89 1yut h LEU 56 Cb 0.98 0.48 -0.16 0.00 -0.53 0.00 0.00 40.66 41.44 1yut h LEU 56 CO 0.77 -0.29 0.46 0.44 -0.13 0.00 0.00 178.44 179.69 1yut h ASP 57 N 0.03 0.30 -0.03 1.25 5.19 -1.89 0.56 116.42 121.84 1yut h ASP 57 Ca 0.49 0.22 -0.00 0.00 -0.62 0.00 0.00 57.03 57.11 1yut h ASP 57 Cb 0.89 0.22 -0.00 0.00 0.18 0.00 0.00 39.33 40.62 1yut h ASP 57 CO -0.86 -0.23 0.01 -0.08 -3.12 0.00 0.00 179.24 174.96 1yut h GLU 58 N 0.20 0.04 -0.32 3.56 4.81 -1.70 -0.30 114.58 120.87 1yut h GLU 58 Ca 0.72 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.96 1yut h GLU 58 Cb 1.68 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.03 1yut h GLU 58 CO -0.68 0.21 0.18 0.87 -0.73 0.00 0.00 179.01 178.86 1yut h LYS 59 N -0.14 0.37 -0.15 1.92 6.56 -0.12 0.12 116.57 125.13 1yut h LYS 59 Ca 0.01 -0.02 0.05 0.00 -1.06 0.00 0.00 60.65 59.63 1yut h LYS 59 Cb 0.19 -0.08 -0.06 0.00 -0.57 0.00 0.00 32.23 31.70 1yut h LYS 59 CO -0.00 0.24 -0.30 1.98 -2.06 0.00 0.00 179.45 179.31 1yut h MET 60 N 0.38 -0.35 -0.71 3.15 4.05 -0.45 0.38 114.93 121.38 1yut h MET 60 Ca 0.13 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.62 1yut h MET 60 Cb 0.00 0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.83 1yut h MET 60 CO -0.06 -0.23 0.42 -0.22 0.23 0.00 0.00 176.91 177.04 1yut h LYS 61 N -0.36 0.75 -0.65 0.39 3.64 -0.66 0.11 116.57 119.78 1yut h LYS 61 Ca 0.10 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1yut h LYS 61 Cb 0.52 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1yut h LYS 61 CO -0.35 0.50 0.22 0.77 -2.27 0.00 0.00 179.45 178.31 1yut h SER 62 N 0.78 0.91 0.36 4.20 0.02 -0.03 -3.26 113.55 116.52 1yut h SER 62 Ca 0.31 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1yut h SER 62 Cb 0.14 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1yut h SER 62 CO -0.16 0.84 -0.18 -0.07 -1.14 0.00 0.00 176.83 176.13 1yut h LEU 63 N 0.95 -0.41 -0.83 5.07 3.38 0.56 -3.38 115.31 120.65 1yut h LEU 63 Ca 0.22 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1yut h LEU 63 Cb 0.25 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1yut h LEU 63 CO -0.01 0.03 0.06 -0.67 0.09 0.00 0.00 178.44 177.94 1yut n ASP 64 N -5.12 0.32 0.13 -0.43 2.03 0.31 -4.79 116.55 109.01 1yut n ASP 64 Ca -0.08 0.62 0.06 0.00 0.52 0.00 0.00 54.79 55.91 1yut n ASP 64 Cb 0.26 -0.65 0.10 0.00 -0.72 0.00 0.00 41.12 40.11 1yut n ASP 64 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1yut n VAL 65 N -1.93 0.00 0.26 5.18 0.24 -1.26 -1.26 118.33 119.56 1yut n VAL 65 Ca -0.01 0.84 0.16 0.00 -2.04 0.00 0.00 64.34 63.30 1yut n VAL 65 Cb 0.08 -1.63 0.89 0.00 -1.47 0.00 0.00 33.84 31.71 1yut n VAL 65 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1yut h ASN 66 N 0.00 0.00 -0.60 -1.34 -1.07 -1.93 -3.46 115.58 107.18 1yut h ASN 66 Ca 0.11 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.23 1yut h ASN 66 Cb 1.79 0.00 -0.10 0.00 -2.07 0.00 0.00 38.32 37.94 1yut h ASN 66 CO -0.00 0.00 -0.23 1.67 0.07 0.00 0.00 177.43 178.94 1yut n GLN 67 N -3.77 -0.91 0.27 4.14 7.27 -0.39 -4.86 117.38 119.14 1yut n GLN 67 Ca -0.01 0.94 0.18 0.00 0.07 0.00 0.00 57.00 58.18 1yut n GLN 67 Cb 0.20 -4.98 0.96 0.00 2.41 0.00 0.00 30.24 28.82 1yut n GLN 67 CO 0.00 0.00 0.00 0.38 0.07 0.00 0.00 177.06 177.51 1yut h ASP 68 N 0.00 0.00 -0.02 1.69 3.04 -1.90 -3.46 116.42 115.77 1yut h ASP 68 Ca -0.26 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.52 1yut h ASP 68 Cb 0.84 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.12 1yut h ASP 68 CO 0.38 0.00 -0.01 -1.20 -2.04 0.00 0.00 179.24 176.37 1yut n SER 69 N -2.80 -4.61 -4.55 4.15 7.64 -1.26 -4.97 113.62 107.22 1yut n SER 69 Ca -0.02 0.01 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1yut n SER 69 Cb 0.09 -2.15 -0.06 0.00 -1.01 0.00 0.00 64.21 61.08 1yut n SER 69 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1yut s GLU 70 N -1.16 3.52 -0.60 1.43 2.02 -1.26 -4.71 118.70 117.94 1yut s GLU 70 Ca 0.00 -0.01 -0.27 0.00 0.02 0.00 0.00 54.97 54.71 1yut s GLU 70 Cb 0.00 -3.89 -0.01 0.00 0.10 0.00 0.00 34.13 30.33 1yut s GLU 70 CO 0.00 -0.98 1.69 -0.51 0.02 0.00 0.00 175.26 175.47 1yut s LEU 71 N 3.11 3.31 0.82 1.80 2.01 0.23 -4.91 118.68 125.05 1yut s LEU 71 Ca 0.29 0.29 -0.11 0.00 0.01 0.00 0.00 54.13 54.60 1yut s LEU 71 Cb -0.13 -2.71 0.11 0.00 0.01 0.00 0.00 46.19 43.46 1yut s LEU 71 CO 0.20 -2.12 1.17 -0.75 1.01 0.00 0.00 176.35 175.86 1yut s LYS 72 N 6.45 1.68 -1.39 1.70 2.47 -1.26 -0.52 119.74 128.86 1yut s LYS 72 Ca 0.61 -0.16 -0.15 0.00 -1.56 0.00 0.00 55.97 54.70 1yut s LYS 72 Cb -0.12 -1.99 0.06 0.00 -1.46 0.00 0.00 37.83 34.31 1yut s LYS 72 CO 0.22 -1.71 2.02 0.34 0.16 0.00 0.00 175.35 176.39 1yut n PHE 73 N -3.31 3.96 -0.11 4.03 -0.00 -1.26 -0.70 117.46 120.08 1yut n PHE 73 Ca 0.10 -2.93 0.00 0.00 -0.00 0.00 0.00 57.45 54.62 1yut n PHE 73 Cb 0.60 -2.56 0.00 0.00 -0.00 0.00 0.00 39.48 37.52 1yut n PHE 73 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1yut n ASN 74 N 6.86 -0.11 -0.07 -2.13 4.05 -1.26 -4.96 115.26 117.65 1yut n ASN 74 Ca 0.50 0.00 -0.04 0.00 0.45 0.00 0.00 54.58 55.49 1yut n ASN 74 Cb 0.42 -0.03 -0.01 0.00 1.23 0.00 0.00 39.78 41.38 1yut n ASN 74 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1yut n GLU 75 N -0.05 0.43 -0.37 1.20 1.02 0.13 -4.86 120.64 118.14 1yut n GLU 75 Ca 0.00 0.52 0.02 0.00 -0.02 0.00 0.00 57.16 57.68 1yut n GLU 75 Cb 0.03 -1.65 0.08 0.00 -0.02 0.00 0.00 31.44 29.88 1yut n GLU 75 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1yut n TYR 76 N -4.50 0.17 -0.34 -0.32 9.36 -0.26 -1.72 117.16 119.56 1yut n TYR 76 Ca -0.07 1.20 0.27 0.00 3.32 0.00 0.00 57.90 62.62 1yut n TYR 76 Cb 0.25 -0.95 0.52 0.00 -0.63 0.00 0.00 39.34 38.53 1yut n TYR 76 CO 0.00 0.00 0.00 2.35 0.22 0.00 0.00 176.86 179.43 1yut h TRP 77 N 0.00 0.88 -0.95 2.98 7.01 -1.89 0.13 115.95 124.11 1yut h TRP 77 Ca 0.40 0.04 0.30 0.00 2.11 0.00 0.00 58.89 61.74 1yut h TRP 77 Cb 0.64 -0.22 -0.18 0.00 -2.10 0.00 0.00 29.16 27.30 1yut h TRP 77 CO -0.81 -0.27 0.17 0.54 -2.79 0.00 0.00 178.44 175.28 1yut n ARG 78 N -5.09 -0.07 -0.17 2.65 1.74 -0.70 -0.84 116.66 114.19 1yut n ARG 78 Ca 0.34 1.39 -0.03 0.00 -0.77 0.00 0.00 57.85 58.78 1yut n ARG 78 Cb 1.10 -2.29 0.04 0.00 -1.02 0.00 0.00 32.46 30.29 1yut n ARG 78 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1yut h LEU 79 N 0.00 -0.55 -1.99 0.55 5.85 -0.96 0.35 115.31 118.56 1yut h LEU 79 Ca 0.65 0.16 0.05 0.00 0.84 0.00 0.00 57.88 59.58 1yut h LEU 79 Cb 1.48 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 42.85 1yut h LEU 79 CO -0.84 -0.19 0.12 0.40 -0.34 0.00 0.00 178.44 177.59 1yut h ILE 80 N -0.02 0.92 -0.30 4.05 2.04 -1.18 -0.09 117.51 122.93 1yut h ILE 80 Ca 0.25 -0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.04 1yut h ILE 80 Cb 0.41 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1yut h ILE 80 CO -0.56 0.00 -0.07 1.23 0.00 0.00 0.00 178.15 178.76 1yut h GLY 81 N 0.01 0.63 0.66 5.37 0.00 -0.35 0.16 103.07 109.54 1yut h GLY 81 Ca 0.08 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1yut h GLY 81 CO -0.00 0.47 -0.06 0.83 0.00 0.00 0.00 176.54 177.78 1yut h GLU 82 N 0.35 0.19 -0.56 4.80 4.39 0.53 0.86 114.58 125.13 1yut h GLU 82 Ca 0.08 -0.09 0.07 0.00 0.34 0.00 0.00 59.36 59.75 1yut h GLU 82 Cb 0.55 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.14 1yut h GLU 82 CO 0.03 0.58 0.25 1.37 -1.16 0.00 0.00 179.01 180.08 1yut h LEU 83 N -0.21 0.32 -0.27 1.33 -0.00 -1.09 0.26 115.31 115.65 1yut h LEU 83 Ca 0.02 0.05 0.06 0.00 -0.00 0.00 0.00 57.88 58.00 1yut h LEU 83 Cb 0.54 -0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.14 1yut h LEU 83 CO 0.02 0.21 -0.09 0.00 -0.00 0.00 0.00 178.44 178.58 1yut h ALA 84 N 1.34 0.15 -0.33 0.17 0.00 -0.25 -1.99 119.26 118.35 1yut h ALA 84 Ca 0.26 0.11 -0.16 0.00 0.00 0.00 0.00 54.91 55.12 1yut h ALA 84 Cb 0.24 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1yut h ALA 84 CO -0.22 -0.49 -0.42 1.57 0.00 0.00 0.00 179.25 179.70 1yut h LYS 85 N -0.03 0.87 -0.88 0.00 2.10 -0.60 -3.33 116.57 114.71 1yut h LYS 85 Ca 0.13 -0.49 0.23 0.00 -2.00 0.00 0.00 60.65 58.52 1yut h LYS 85 Cb 0.23 0.03 -0.15 0.00 -0.90 0.00 0.00 32.23 31.44 1yut h LYS 85 CO -0.30 1.13 0.13 0.93 -2.00 0.00 0.00 179.45 179.35 1yut h GLU 86 N 0.67 0.12 -1.00 0.07 4.39 0.28 0.55 114.58 119.66 1yut h GLU 86 Ca 0.04 -0.01 0.19 0.00 0.34 0.00 0.00 59.36 59.93 1yut h GLU 86 Cb 1.02 -0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 29.53 1yut h GLU 86 CO 0.10 0.08 0.61 0.97 -1.16 0.00 0.00 179.01 179.61 1yut h ILE 87 N 0.12 0.69 0.18 3.13 2.10 -1.61 -0.12 117.51 122.01 1yut h ILE 87 Ca 0.54 -0.26 -0.33 0.00 1.08 0.00 0.00 64.86 65.89 1yut h ILE 87 Cb 1.07 -0.12 0.01 0.00 -1.09 0.00 0.00 36.82 36.70 1yut h ILE 87 CO -0.73 0.14 -1.54 -0.09 -1.08 0.00 0.00 178.15 174.84 1yut h ARG 88 N 0.74 0.39 -3.08 2.19 2.43 -0.59 -3.44 114.38 113.03 1yut h ARG 88 Ca 0.58 -0.67 -0.65 0.00 -0.81 0.00 0.00 59.98 58.44 1yut h ARG 88 Cb 0.93 0.25 -0.40 0.00 -0.42 0.00 0.00 29.97 30.33 1yut h ARG 88 CO -0.38 1.30 -0.41 1.17 -1.51 0.00 0.00 179.97 180.13 1yut n LYS 89 N -3.59 2.17 -0.34 0.20 4.81 0.15 -4.98 118.16 116.59 1yut n LYS 89 Ca -0.18 -4.51 -0.02 0.00 -0.87 0.00 0.00 58.31 52.73 1yut n LYS 89 Cb 1.07 -2.33 0.02 0.00 0.02 0.00 0.00 35.03 33.82 1yut n LYS 89 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1yut n LYS 90 N 1.95 -0.22 0.00 1.64 4.81 -1.20 -4.22 118.16 120.91 1yut n LYS 90 Ca 0.21 1.34 0.00 0.00 -0.87 0.00 0.00 58.31 59.00 1yut n LYS 90 Cb 0.36 -1.99 0.00 0.00 0.02 0.00 0.00 35.03 33.42 1yut n LYS 90 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1yut n LYS 91 N -5.27 0.00 -1.54 1.64 4.81 -1.26 -5.04 118.16 111.50 1yut n LYS 91 Ca 0.08 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.23 1yut n LYS 91 Cb 0.34 -0.11 -0.03 0.00 0.02 0.00 0.00 35.03 35.25 1yut n LYS 91 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1yut n ASP 92 N 0.00 6.74 -0.10 3.14 9.92 -1.26 -4.33 116.55 130.66 1yut n ASP 92 Ca 0.00 -3.35 -0.18 0.00 -0.53 0.00 0.00 54.79 50.73 1yut n ASP 92 Cb 0.19 -1.18 -0.08 0.00 -0.64 0.00 0.00 41.12 39.41 1yut n ASP 92 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yut n LEU 93 N 0.47 1.88 0.00 0.64 -0.00 -1.26 -5.01 117.00 113.72 1yut n LEU 93 Ca 0.49 0.45 0.00 0.00 -0.00 0.00 0.00 56.01 56.95 1yut n LEU 93 Cb 0.49 -0.88 0.00 0.00 -0.00 0.00 0.00 43.42 43.02 1yut n LEU 93 CO 0.39 0.08 0.00 0.29 -0.00 0.00 0.00 177.39 178.15 1yut n LYS 94 N -4.44 0.00 -1.42 1.47 5.02 -1.26 -4.97 118.16 112.55 1yut n LYS 94 Ca -0.29 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.02 1yut n LYS 94 Cb 0.60 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.60 1yut n LYS 94 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1yut n ILE 95 N 0.00 -2.01 -3.59 -0.18 -5.35 -1.26 -5.09 119.36 101.87 1yut n ILE 95 Ca 0.00 1.05 -0.02 0.00 -0.27 0.00 0.00 62.75 63.51 1yut n ILE 95 Cb 0.00 -1.74 -0.06 0.00 -1.74 0.00 0.00 39.64 36.10 1yut n ILE 95 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1yut s ARG 96 N -5.01 0.43 -0.30 6.28 3.00 -1.26 -5.18 118.95 116.92 1yut s ARG 96 Ca 0.00 0.83 -0.17 0.00 -1.00 0.00 0.00 55.73 55.39 1yut s ARG 96 Cb 0.00 0.23 0.19 0.00 0.00 0.00 0.00 34.95 35.36 1yut s ARG 96 CO 0.00 -0.11 1.16 0.21 0.00 0.00 0.00 175.30 176.57 1yut s LYS 97 N 1.74 0.15 0.00 5.12 2.36 -1.26 -5.35 119.74 122.50 1yut s LYS 97 Ca -0.08 0.31 0.20 0.00 -2.55 0.00 0.00 55.97 53.86 1yut s LYS 97 Cb -0.05 0.11 0.16 0.00 -1.05 0.00 0.00 37.83 37.00 1yut s LYS 97 CO -0.17 -0.04 1.15 1.17 1.55 0.00 0.00 175.35 179.01