#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuf s SER 2 N 0.00 -0.78 -0.00 1.61 1.04 -1.26 -5.14 113.70 109.18 2yuf s SER 2 Ca 0.00 1.20 -0.16 0.00 0.48 0.00 0.00 55.95 57.47 2yuf s SER 2 Cb 0.00 1.45 0.03 0.00 0.10 0.00 0.00 66.02 67.59 2yuf s SER 2 CO 0.00 -0.18 0.33 -0.55 0.98 0.00 0.00 173.24 173.82 2yuf s SER 3 N 1.74 -0.21 0.00 7.02 0.15 -1.26 -4.95 113.70 116.19 2yuf s SER 3 Ca -0.09 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.63 2yuf s SER 3 Cb -0.05 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 2yuf s SER 3 CO -0.18 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.37 2yuf n GLY 4 N 1.09 4.41 1.75 9.45 0.00 -1.26 -4.95 105.19 115.68 2yuf n GLY 4 Ca -0.21 -0.70 -0.07 0.00 0.00 0.00 0.00 46.02 45.04 2yuf n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yuf n SER 5 N 0.00 2.80 -1.42 1.61 7.64 -1.26 -5.11 113.62 117.88 2yuf n SER 5 Ca 0.00 -3.17 0.19 0.00 1.01 0.00 0.00 58.87 56.90 2yuf n SER 5 Cb 0.00 -0.41 -0.05 0.00 -1.01 0.00 0.00 64.21 62.73 2yuf n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yuf n SER 6 N -0.62 -8.45 0.00 6.43 7.64 -1.26 -5.05 113.62 112.31 2yuf n SER 6 Ca 0.24 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.83 2yuf n SER 6 Cb 0.89 -4.38 0.00 0.00 -1.01 0.00 0.00 64.21 59.71 2yuf n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuf n GLY 7 N -4.21 0.76 3.29 0.23 0.00 -1.26 -4.95 105.19 99.05 2yuf n GLY 7 Ca -0.01 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.21 2yuf n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yuf s GLU 8 N -0.68 1.27 0.52 1.61 0.41 -1.26 -4.99 118.70 115.58 2yuf s GLU 8 Ca 0.00 -1.64 0.00 0.00 -0.41 0.00 0.00 54.97 52.92 2yuf s GLU 8 Cb 0.00 -0.38 0.00 0.00 -1.78 0.00 0.00 34.13 31.97 2yuf s GLU 8 CO 0.00 -0.16 0.00 0.00 -0.49 0.00 0.00 175.26 174.61 2yuf n ALA 9 N -0.36 -3.76 -0.98 5.21 0.00 -1.26 -4.90 120.51 114.46 2yuf n ALA 9 Ca -0.04 0.76 -0.08 0.00 0.00 0.00 0.00 53.44 54.08 2yuf n ALA 9 Cb 0.64 -1.47 0.10 0.00 0.00 0.00 0.00 19.45 18.72 2yuf n ALA 9 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2yuf n LEU 10 N -4.32 0.00 0.00 0.00 4.77 -1.26 -5.08 117.00 111.12 2yuf n LEU 10 Ca -0.05 -0.45 -0.07 0.00 -0.03 0.00 0.00 56.01 55.41 2yuf n LEU 10 Cb 0.67 -0.40 0.02 0.00 -2.33 0.00 0.00 43.42 41.38 2yuf n LEU 10 CO 0.03 -1.55 0.12 0.47 -1.33 0.00 0.00 177.39 175.13 2yuf n ASP 11 N -3.81 0.74 0.05 -1.43 8.00 -1.26 -4.96 116.55 113.88 2yuf n ASP 11 Ca 0.06 -1.52 -0.12 0.00 0.71 0.00 0.00 54.79 53.92 2yuf n ASP 11 Cb 0.24 -0.14 -0.09 0.00 -0.02 0.00 0.00 41.12 41.11 2yuf n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yuf h ALA 12 N 0.38 -0.19 -0.89 2.24 0.00 -1.99 -2.40 119.26 116.41 2yuf h ALA 12 Ca -0.09 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.60 2yuf h ALA 12 Cb 0.42 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2yuf h ALA 12 CO 0.13 -0.34 0.59 0.00 0.00 0.00 0.00 179.25 179.63 2yuf h ALA 13 N 0.00 1.36 -0.52 0.00 0.00 -1.98 -0.29 119.26 117.84 2yuf h ALA 13 Ca -0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2yuf h ALA 13 Cb 0.52 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2yuf h ALA 13 CO 0.03 0.59 0.22 0.00 0.00 0.00 0.00 179.25 180.10 2yuf h ALA 14 N 1.44 0.68 -0.35 0.00 0.00 -1.96 -0.42 119.26 118.65 2yuf h ALA 14 Ca 0.33 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 2yuf h ALA 14 Cb -0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2yuf h ALA 14 CO -0.07 0.27 -0.20 0.00 0.00 0.00 0.00 179.25 179.25 2yuf h ALA 15 N 1.07 0.49 -0.08 0.00 0.00 -0.96 -2.97 119.26 116.81 2yuf h ALA 15 Ca 0.18 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2yuf h ALA 15 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2yuf h ALA 15 CO -0.02 0.44 -0.21 -0.07 0.00 0.00 0.00 179.25 179.39 2yuf h LEU 16 N 0.53 0.13 -1.26 0.00 3.38 -0.92 -2.31 115.31 114.86 2yuf h LEU 16 Ca 0.07 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2yuf h LEU 16 Cb 0.75 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2yuf h LEU 16 CO 0.06 0.35 -0.28 0.28 0.09 0.00 0.00 178.44 178.94 2yuf h SER 17 N 0.12 0.14 0.40 -0.43 0.02 -0.92 -1.80 113.55 111.08 2yuf h SER 17 Ca 0.02 -0.04 -0.20 0.00 -0.84 0.00 0.00 61.79 60.73 2yuf h SER 17 Cb 0.45 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 2yuf h SER 17 CO 0.03 0.42 -0.84 0.58 -1.14 0.00 0.00 176.83 175.89 2yuf h VAL 18 N 0.13 1.42 -0.01 2.27 2.07 -1.31 -2.41 116.25 118.40 2yuf h VAL 18 Ca 0.02 -2.38 -0.16 0.00 0.82 0.00 0.00 66.70 65.00 2yuf h VAL 18 Cb 0.57 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 2yuf h VAL 18 CO 0.04 0.71 -0.72 0.00 0.02 0.00 0.00 177.57 177.62 2yuf h ALA 19 N 0.90 0.78 0.01 1.67 0.00 -1.27 -1.24 119.26 120.12 2yuf h ALA 19 Ca -0.05 -0.64 -0.20 0.00 0.00 0.00 0.00 54.91 54.03 2yuf h ALA 19 Cb 1.44 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2yuf h ALA 19 CO 0.14 0.86 -0.92 0.93 0.00 0.00 0.00 179.25 180.26 2yuf h GLU 20 N 0.05 0.05 0.05 0.00 5.08 -1.33 -2.97 114.58 115.50 2yuf h GLU 20 Ca -0.01 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2yuf h GLU 20 Cb 1.27 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.55 2yuf h GLU 20 CO 0.10 0.93 -0.29 0.00 -1.00 0.00 0.00 179.01 178.75 2yuf h VAL 22 N -0.77 0.97 0.00 0.00 3.04 -1.34 0.98 116.25 119.13 2yuf h VAL 22 Ca -0.05 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 2yuf h VAL 22 Cb 1.22 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 2yuf h VAL 22 CO 0.05 0.16 0.00 -0.33 -1.01 0.00 0.00 177.57 176.44 2yuf h GLU 23 N 0.87 0.00 0.02 4.17 4.39 -1.64 0.44 114.58 122.84 2yuf h GLU 23 Ca 0.39 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.77 2yuf h GLU 23 Cb 0.27 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.88 2yuf h GLU 23 CO -0.21 0.00 -1.86 0.54 -1.16 0.00 0.00 179.01 176.32 2yuf n ARG 24 N -2.73 0.66 0.00 2.33 5.12 0.22 -4.14 116.66 118.13 2yuf n ARG 24 Ca -0.00 0.25 -0.06 0.00 -1.93 0.00 0.00 57.85 56.11 2yuf n ARG 24 Cb 0.18 -1.74 -0.12 0.00 -1.16 0.00 0.00 32.46 29.62 2yuf n ARG 24 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2yuf h MET 25 N 0.01 0.00 0.09 5.56 -0.00 -0.79 -3.37 114.93 116.43 2yuf h MET 25 Ca -0.35 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.36 2yuf h MET 25 Cb 2.04 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.62 2yuf h MET 25 CO 0.07 0.44 -0.15 0.00 -0.00 0.00 0.00 176.91 177.27 2yuf h ALA 26 N 1.15 -0.25 -0.41 -3.00 0.00 -0.31 0.28 119.26 116.72 2yuf h ALA 26 Ca -0.23 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.76 2yuf h ALA 26 Cb 1.86 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.86 2yuf h ALA 26 CO 0.07 -0.67 0.29 -1.35 0.00 0.00 0.00 179.25 177.59 2yuf h PRO 27 N -0.30 0.10 0.00 0.00 0.11 -1.74 -0.99 132.00 129.18 2yuf h PRO 27 Ca 0.02 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.92 2yuf h PRO 27 Cb 0.32 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.37 2yuf h PRO 27 CO -0.09 0.07 -1.21 1.79 -0.21 0.00 0.00 178.00 178.35 2yuf h THR 28 N 0.11 1.06 -2.13 -1.15 1.35 -1.57 -3.46 112.91 107.12 2yuf h THR 28 Ca 0.19 -2.71 -0.59 0.00 -0.55 0.00 0.00 66.41 62.75 2yuf h THR 28 Cb 0.63 2.48 0.02 0.00 -1.73 0.00 0.00 68.15 69.55 2yuf h THR 28 CO -0.02 0.61 1.11 0.18 -0.25 0.00 0.00 175.52 177.15 2yuf n LEU 29 N -3.14 3.61 0.00 3.87 4.77 0.94 -4.95 117.00 122.10 2yuf n LEU 29 Ca -0.07 0.96 -0.17 0.00 -0.03 0.00 0.00 56.01 56.70 2yuf n LEU 29 Cb 0.92 -1.41 0.17 0.00 -2.33 0.00 0.00 43.42 40.76 2yuf n LEU 29 CO 0.44 -0.00 0.20 -2.65 -1.33 0.00 0.00 177.39 174.05 2yuf n PRO 30 N 6.61 -2.29 -3.99 3.23 -0.02 -1.26 -4.98 135.00 132.30 2yuf n PRO 30 Ca 0.22 -0.83 -0.28 0.00 -2.02 0.00 0.00 63.50 60.59 2yuf n PRO 30 Cb 0.32 -1.37 -0.05 0.00 -0.02 0.00 0.00 33.50 32.39 2yuf n PRO 30 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2yuf s LYS 31 N -3.73 3.21 0.38 -0.52 -0.14 -1.26 -5.12 119.74 112.56 2yuf s LYS 31 Ca 0.38 -0.63 0.08 0.00 -1.36 0.00 0.00 55.97 54.44 2yuf s LYS 31 Cb -0.07 -2.87 -0.07 0.00 -1.68 0.00 0.00 37.83 33.15 2yuf s LYS 31 CO 0.32 0.55 0.01 0.45 -0.76 0.00 0.00 175.35 175.92 2yuf s SER 32 N -2.82 3.99 -0.43 2.83 0.15 -1.26 -5.11 113.70 111.05 2yuf s SER 32 Ca 0.33 -1.20 -0.13 0.00 0.70 0.00 0.00 55.95 55.65 2yuf s SER 32 Cb -0.12 -0.43 0.06 0.00 -1.71 0.00 0.00 66.02 63.83 2yuf s SER 32 CO 0.26 -0.36 0.31 -0.62 1.20 0.00 0.00 173.24 174.04 2yuf s ASP 33 N -3.72 5.92 0.49 5.45 -1.08 -1.26 -4.94 116.67 117.55 2yuf s ASP 33 Ca 0.35 -1.29 0.18 0.00 -0.52 0.00 0.00 52.55 51.27 2yuf s ASP 33 Cb 0.05 -2.10 1.22 0.00 -1.46 0.00 0.00 42.92 40.63 2yuf s ASP 33 CO 0.19 -0.55 2.08 -0.07 0.52 0.00 0.00 175.17 177.33 2yuf h LEU 34 N 8.59 0.00 -1.95 -1.34 3.38 -2.00 -1.86 115.31 120.12 2yuf h LEU 34 Ca -0.26 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.75 2yuf h LEU 34 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2yuf h LEU 34 CO 0.79 0.10 0.14 -1.13 0.09 0.00 0.00 178.44 178.43 2yuf h ASN 35 N 0.00 0.06 0.48 -0.43 -1.24 -1.99 0.05 115.58 112.51 2yuf h ASN 35 Ca -0.00 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 2yuf h ASN 35 Cb 0.19 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.23 2yuf h ASN 35 CO 0.01 0.04 -0.23 -0.08 -1.29 0.00 0.00 177.43 175.88 2yuf h GLU 36 N 0.07 -0.62 -0.05 6.67 4.81 -1.76 -2.92 114.58 120.76 2yuf h GLU 36 Ca 0.09 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2yuf h GLU 36 Cb 0.28 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 2yuf h GLU 36 CO -0.01 -0.41 0.04 -0.39 -0.73 0.00 0.00 179.01 177.51 2yuf h VAL 37 N -1.04 0.85 -0.15 0.32 -1.51 -1.59 -2.23 116.25 110.89 2yuf h VAL 37 Ca -0.07 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.40 2yuf h VAL 37 Cb 0.50 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 2yuf h VAL 37 CO 0.11 0.00 0.09 0.11 -1.23 0.00 0.00 177.57 176.64 2yuf h LYS 38 N 0.00 0.21 0.00 5.19 1.57 -1.00 -2.64 116.57 119.91 2yuf h LYS 38 Ca 0.03 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2yuf h LYS 38 Cb 0.11 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2yuf h LYS 38 CO -0.00 0.22 -0.47 0.93 -0.57 0.00 0.00 179.45 179.56 2yuf h GLU 39 N 0.15 0.00 -0.03 3.15 4.39 -1.22 -2.87 114.58 118.15 2yuf h GLU 39 Ca 0.05 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.76 2yuf h GLU 39 Cb 0.06 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2yuf h GLU 39 CO -0.01 0.47 0.02 -0.07 -1.16 0.00 0.00 179.01 178.26 2yuf h LEU 40 N 0.00 0.00 -0.26 1.33 3.38 -1.06 -2.17 115.31 116.53 2yuf h LEU 40 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2yuf h LEU 40 Cb 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2yuf h LEU 40 CO 0.06 0.00 -0.11 -0.07 0.09 0.00 0.00 178.44 178.41 2yuf h LEU 41 N 0.00 0.54 -2.18 1.67 3.38 -1.34 0.79 115.31 118.16 2yuf h LEU 41 Ca 0.01 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 2yuf h LEU 41 Cb 0.06 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2yuf h LEU 41 CO -0.00 0.82 -0.00 0.11 0.09 0.00 0.00 178.44 179.46 2yuf h LYS 42 N 0.26 0.00 0.06 1.13 6.56 -1.49 -2.21 116.57 120.87 2yuf h LYS 42 Ca 0.06 0.00 -0.31 0.00 -1.06 0.00 0.00 60.65 59.34 2yuf h LYS 42 Cb 0.60 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.23 2yuf h LYS 42 CO 0.03 0.00 -1.73 1.79 -2.06 0.00 0.00 179.45 177.49 2yuf h THR 43 N 0.00 0.88 -3.60 -0.16 1.35 -1.30 -3.43 112.91 106.64 2yuf h THR 43 Ca -0.00 -2.65 -0.69 0.00 -0.55 0.00 0.00 66.41 62.53 2yuf h THR 43 Cb 0.00 2.53 -0.35 0.00 -1.73 0.00 0.00 68.15 68.60 2yuf h THR 43 CO 0.00 0.69 -0.62 0.20 -0.25 0.00 0.00 175.52 175.54 2yuf s ASN 44 N -6.56 5.07 0.31 5.36 0.01 0.25 -4.95 114.94 114.43 2yuf s ASN 44 Ca -0.10 -1.81 0.06 0.00 -0.71 0.00 0.00 52.86 50.29 2yuf s ASN 44 Cb 0.07 -1.76 0.50 0.00 0.41 0.00 0.00 41.25 40.47 2yuf s ASN 44 CO 0.81 -0.43 1.75 0.50 -1.51 0.00 0.00 177.10 178.22 2yuf h LYS 45 N 7.97 0.33 0.19 -0.60 1.63 -1.85 -2.17 116.57 122.06 2yuf h LYS 45 Ca -0.14 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.52 2yuf h LYS 45 Cb 1.05 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.66 2yuf h LYS 45 CO 0.62 0.60 -0.09 0.87 -3.45 0.00 0.00 179.45 178.00 2yuf h LYS 46 N 0.29 -0.24 -0.39 1.90 1.57 -1.92 -0.81 116.57 116.96 2yuf h LYS 46 Ca 0.04 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2yuf h LYS 46 Cb 0.68 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 2yuf h LYS 46 CO 0.05 0.03 0.19 -0.07 -0.57 0.00 0.00 179.45 179.08 2yuf h LEU 47 N -0.51 0.48 -0.83 2.94 3.38 -1.91 0.34 115.31 119.21 2yuf h LEU 47 Ca -0.03 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 2yuf h LEU 47 Cb 0.38 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2yuf h LEU 47 CO 0.04 0.41 -0.57 0.00 0.09 0.00 0.00 178.44 178.41 2yuf h ALA 48 N 1.67 1.02 0.00 1.53 0.00 -1.24 -1.41 119.26 120.83 2yuf h ALA 48 Ca 0.14 -0.52 -0.26 0.00 0.00 0.00 0.00 54.91 54.27 2yuf h ALA 48 Cb 0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2yuf h ALA 48 CO -0.02 0.71 -1.46 -0.22 0.00 0.00 0.00 179.25 178.26 2yuf h LYS 49 N 0.00 0.00 0.01 0.00 1.63 -0.14 -2.53 116.57 115.54 2yuf h LYS 49 Ca -0.01 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2yuf h LYS 49 Cb 1.03 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.66 2yuf h LYS 49 CO 0.07 0.62 -0.01 1.98 -3.45 0.00 0.00 179.45 178.67 2yuf h MET 50 N 0.00 -0.01 -0.81 1.90 4.05 -0.30 -3.42 114.93 116.33 2yuf h MET 50 Ca -0.19 0.00 -0.52 0.00 -0.28 0.00 0.00 59.70 58.70 2yuf h MET 50 Cb 1.91 0.00 -0.43 0.00 -0.80 0.00 0.00 31.60 32.28 2yuf h MET 50 CO 0.09 -0.01 -0.84 0.44 0.23 0.00 0.00 176.91 176.82 2yuf n ILE 51 N -2.26 2.38 -0.09 1.77 -5.35 -0.58 -4.73 119.36 110.50 2yuf n ILE 51 Ca -0.00 -4.17 -0.13 0.00 -0.27 0.00 0.00 62.75 58.18 2yuf n ILE 51 Cb 0.01 -0.92 -0.09 0.00 -1.74 0.00 0.00 39.64 36.89 2yuf n ILE 51 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2yuf n GLY 52 N -0.67 -0.34 0.23 3.28 0.00 -0.89 -4.40 105.19 102.40 2yuf n GLY 52 Ca 0.40 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.34 2yuf n GLY 52 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2yuf h HIS 53 N 0.00 0.00 -0.05 1.61 2.07 -1.81 -2.23 115.15 114.74 2yuf h HIS 53 Ca -0.43 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 56.99 2yuf h HIS 53 Cb 1.72 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.68 2yuf h HIS 53 CO 0.02 0.20 -0.43 0.82 -3.07 0.00 0.00 177.93 175.47 2yuf h ILE 54 N 0.00 1.32 0.63 6.12 2.04 -1.90 -2.76 117.51 122.96 2yuf h ILE 54 Ca -0.00 -1.53 -0.03 0.00 1.00 0.00 0.00 64.86 64.30 2yuf h ILE 54 Cb 0.39 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2yuf h ILE 54 CO 0.03 0.45 -0.35 -0.26 0.00 0.00 0.00 178.15 178.01 2yuf h PHE 55 N 0.09 -0.93 0.00 1.37 0.04 -1.61 -2.43 116.94 113.48 2yuf h PHE 55 Ca 0.01 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 2yuf h PHE 55 Cb 0.80 0.32 -0.00 0.00 2.20 0.00 0.00 35.95 39.27 2yuf h PHE 55 CO 0.01 -0.55 -0.09 0.93 -0.60 0.00 0.00 178.31 178.01 2yuf h GLU 56 N -0.92 0.00 -6.98 1.51 4.39 -1.62 -3.44 114.58 107.52 2yuf h GLU 56 Ca -0.08 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.07 2yuf h GLU 56 Cb 0.73 0.00 0.18 0.00 -0.10 0.00 0.00 28.75 29.56 2yuf h GLU 56 CO 0.10 0.09 0.09 -0.12 -1.16 0.00 0.00 179.01 178.01 2yuf n MET 57 N -4.01 0.37 -1.43 2.33 1.56 -0.92 -4.98 117.12 110.04 2yuf n MET 57 Ca -0.02 0.19 -0.30 0.00 -0.27 0.00 0.00 57.70 57.29 2yuf n MET 57 Cb 0.18 -2.23 0.11 0.00 2.15 0.00 0.00 33.22 33.43 2yuf n MET 57 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 2yuf s ASN 58 N -1.77 4.05 -0.11 6.12 0.01 -1.26 -5.00 114.94 116.99 2yuf s ASN 58 Ca 0.72 1.34 0.14 0.00 -0.71 0.00 0.00 52.86 54.35 2yuf s ASN 58 Cb -0.32 -2.04 -0.24 0.00 0.41 0.00 0.00 41.25 39.06 2yuf s ASN 58 CO 0.52 -2.25 0.40 0.47 -1.51 0.00 0.00 177.10 174.73 2yuf n ASP 59 N -3.62 0.54 -2.54 -1.22 8.00 -1.26 -4.35 116.55 112.11 2yuf n ASP 59 Ca 0.07 0.23 -0.29 0.00 0.71 0.00 0.00 54.79 55.52 2yuf n ASP 59 Cb 0.56 0.36 -0.05 0.00 -0.02 0.00 0.00 41.12 41.98 2yuf n ASP 59 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2yuf n ASP 60 N -2.93 6.60 -4.16 -2.24 -0.08 -1.26 -4.90 116.55 107.57 2yuf n ASP 60 Ca -0.24 -3.28 -0.23 0.00 -1.51 0.00 0.00 54.79 49.52 2yuf n ASP 60 Cb 1.10 -1.21 -0.15 0.00 2.34 0.00 0.00 41.12 43.20 2yuf n ASP 60 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2yuf s ASP 61 N 0.18 1.96 0.12 1.67 2.15 -1.26 -5.05 116.67 116.44 2yuf s ASP 61 Ca 0.58 -0.36 -0.12 0.00 0.43 0.00 0.00 52.55 53.08 2yuf s ASP 61 Cb 0.39 -0.19 -0.11 0.00 -0.30 0.00 0.00 42.92 42.71 2yuf s ASP 61 CO -0.25 0.16 1.38 1.55 -0.17 0.00 0.00 175.17 177.84 2yuf h PRO 62 N 5.44 0.85 0.00 4.34 0.13 -1.96 -3.12 132.00 137.69 2yuf h PRO 62 Ca -0.37 -0.58 -0.01 0.00 -0.87 0.00 0.00 66.00 64.17 2yuf h PRO 62 Cb 1.16 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2yuf h PRO 62 CO 0.47 1.21 -0.03 0.45 -0.23 0.00 0.00 178.00 179.86 2yuf h HIS 63 N 0.63 0.00 -0.77 1.56 3.86 -1.99 -1.95 115.15 116.49 2yuf h HIS 63 Ca -0.00 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 2yuf h HIS 63 Cb 1.21 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.63 2yuf h HIS 63 CO 0.08 0.03 0.51 -0.22 0.86 0.00 0.00 177.93 179.19 2yuf h LYS 64 N 0.00 0.86 -0.49 2.45 3.64 -1.88 -0.26 116.57 120.89 2yuf h LYS 64 Ca -0.00 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 2yuf h LYS 64 Cb 0.06 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 2yuf h LYS 64 CO 0.00 0.57 0.12 0.93 -2.27 0.00 0.00 179.45 178.80 2yuf h GLU 65 N 0.88 0.78 -0.04 1.90 3.07 -1.49 -1.12 114.58 118.57 2yuf h GLU 65 Ca 0.32 -0.19 -0.11 0.00 -0.50 0.00 0.00 59.36 58.88 2yuf h GLU 65 Cb 0.15 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 2yuf h GLU 65 CO -0.10 0.76 -0.49 0.93 -1.40 0.00 0.00 179.01 178.70 2yuf h GLU 66 N 0.67 0.10 -0.13 2.33 5.08 -1.42 -0.26 114.58 120.94 2yuf h GLU 66 Ca 0.15 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2yuf h GLU 66 Cb 0.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2yuf h GLU 66 CO 0.00 0.57 -0.16 0.93 -1.00 0.00 0.00 179.01 179.35 2yuf h GLU 67 N 0.08 0.35 -0.07 2.33 5.08 -0.78 -2.55 114.58 119.02 2yuf h GLU 67 Ca 0.00 -0.19 -0.16 0.00 -1.00 0.00 0.00 59.36 58.01 2yuf h GLU 67 Cb 0.90 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2yuf h GLU 67 CO 0.07 0.76 -0.66 0.82 -1.00 0.00 0.00 179.01 179.00 2yuf h ILE 68 N -0.04 1.40 -0.06 3.13 2.04 -1.17 -3.00 117.51 119.79 2yuf h ILE 68 Ca 0.02 -2.08 -0.06 0.00 1.00 0.00 0.00 64.86 63.74 2yuf h ILE 68 Cb 0.71 2.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 2yuf h ILE 68 CO 0.04 0.62 -0.25 0.03 0.00 0.00 0.00 178.15 178.59 2yuf h ARG 69 N 0.20 0.11 -0.08 2.37 3.08 -1.05 0.85 114.38 119.86 2yuf h ARG 69 Ca -0.01 -0.03 -0.22 0.00 0.07 0.00 0.00 59.98 59.79 2yuf h ARG 69 Cb 1.19 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.23 2yuf h ARG 69 CO 0.10 0.36 -0.84 -0.22 -1.07 0.00 0.00 179.97 178.30 2yuf h LYS 70 N 0.10 0.59 0.00 0.04 3.64 -1.35 -3.27 116.57 116.33 2yuf h LYS 70 Ca 0.02 -0.53 -0.23 0.00 -1.27 0.00 0.00 60.65 58.63 2yuf h LYS 70 Cb 0.50 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.41 2yuf h LYS 70 CO 0.04 1.16 -1.33 1.88 -2.27 0.00 0.00 179.45 178.92 2yuf h TYR 71 N 0.38 0.00 -0.17 1.91 0.05 -1.36 -3.41 116.97 114.37 2yuf h TYR 71 Ca -0.06 0.00 -0.46 0.00 0.05 0.00 0.00 58.73 58.25 2yuf h TYR 71 Cb 1.46 0.00 0.03 0.00 1.01 0.00 0.00 36.73 39.22 2yuf h TYR 71 CO 0.07 0.90 1.50 -1.13 -1.05 0.00 0.00 178.16 178.45 2yuf n SER 72 N -3.14 2.38 -3.38 3.88 3.41 0.29 -4.73 113.62 112.33 2yuf n SER 72 Ca -0.09 -2.64 -0.15 0.00 -0.26 0.00 0.00 58.87 55.73 2yuf n SER 72 Cb 0.96 -1.31 -0.09 0.00 -0.26 0.00 0.00 64.21 63.51 2yuf n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yuf s ALA 73 N 8.71 -0.65 -0.71 7.33 0.00 -1.26 -4.79 121.76 130.39 2yuf s ALA 73 Ca 0.65 -0.09 0.16 0.00 0.00 0.00 0.00 51.96 52.69 2yuf s ALA 73 Cb 0.07 -1.82 0.71 0.00 0.00 0.00 0.00 23.12 22.08 2yuf s ALA 73 CO 0.17 -1.66 1.62 -0.89 0.00 0.00 0.00 175.76 175.00 2yuf n ILE 74 N 5.32 2.15 -3.56 0.00 5.41 -1.26 -4.85 119.36 122.57 2yuf n ILE 74 Ca -0.02 -1.35 -0.14 0.00 1.00 0.00 0.00 62.75 62.25 2yuf n ILE 74 Cb 0.47 -0.03 -0.12 0.00 -0.71 0.00 0.00 39.64 39.26 2yuf n ILE 74 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 2yuf s TYR 75 N -2.22 -0.49 0.00 1.39 1.51 -1.26 -5.02 117.35 111.26 2yuf s TYR 75 Ca 0.50 0.78 0.00 0.00 -1.01 0.00 0.00 57.07 57.34 2yuf s TYR 75 Cb 0.35 -0.09 0.00 0.00 -0.11 0.00 0.00 41.96 42.11 2yuf s TYR 75 CO 0.19 -0.50 0.00 0.41 -1.11 0.00 0.00 175.55 174.54 2yuf n GLY 76 N 5.35 -0.30 3.58 0.71 0.00 -1.26 -5.00 105.19 108.26 2yuf n GLY 76 Ca -0.06 -1.70 -0.20 0.00 0.00 0.00 0.00 46.02 44.06 2yuf n GLY 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2yuf n ARG 77 N -0.18 0.67 -1.19 1.61 3.00 -1.25 -5.05 116.66 114.27 2yuf n ARG 77 Ca 0.00 -2.99 -0.00 0.00 -0.00 0.00 0.00 57.85 54.85 2yuf n ARG 77 Cb 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 32.46 32.57 2yuf n ARG 77 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60 2yuf n PHE 78 N -1.99 0.58 -3.72 -0.14 -1.74 -1.26 -4.95 117.46 104.23 2yuf n PHE 78 Ca 0.09 -1.46 -0.02 0.00 -0.56 0.00 0.00 57.45 55.49 2yuf n PHE 78 Cb 0.56 -0.24 -0.01 0.00 1.52 0.00 0.00 39.48 41.31 2yuf n PHE 78 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2yuf s ASP 79 N -3.09 -0.14 -0.18 5.98 1.01 -1.26 -5.15 116.67 113.84 2yuf s ASP 79 Ca 0.39 -0.33 -0.16 0.00 0.71 0.00 0.00 52.55 53.15 2yuf s ASP 79 Cb 0.38 0.40 -0.04 0.00 1.01 0.00 0.00 42.92 44.66 2yuf s ASP 79 CO -0.07 -0.73 0.42 -0.44 0.21 0.00 0.00 175.17 174.56 2yuf s SER 80 N -2.96 6.50 -0.20 0.27 0.01 -1.26 -4.68 113.70 111.38 2yuf s SER 80 Ca 0.13 0.59 0.12 0.00 1.31 0.00 0.00 55.95 58.10 2yuf s SER 80 Cb 0.00 -2.25 -0.23 0.00 0.21 0.00 0.00 66.02 63.76 2yuf s SER 80 CO 0.01 -0.06 0.03 0.29 0.41 0.00 0.00 173.24 173.92 2yuf n LYS 81 N 4.28 0.68 0.07 12.44 5.02 -1.26 -4.93 118.16 134.45 2yuf n LYS 81 Ca -0.08 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2yuf n LYS 81 Cb 0.51 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 2yuf n LYS 81 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2yuf n ARG 82 N -2.94 0.00 0.04 1.97 1.74 -1.26 -5.07 116.66 111.13 2yuf n ARG 82 Ca -0.36 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.72 2yuf n ARG 82 Cb 1.10 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.54 2yuf n ARG 82 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2yuf n LYS 83 N -2.84 0.00 -3.79 5.56 5.02 -1.26 -5.15 118.16 115.70 2yuf n LYS 83 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 2yuf n LYS 83 Cb 0.00 -0.04 -0.08 0.00 -0.02 0.00 0.00 35.03 34.90 2yuf n LYS 83 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2yuf s ASP 84 N -4.54 -0.08 -0.10 4.39 1.11 -1.26 -4.96 116.67 111.24 2yuf s ASP 84 Ca 0.00 -0.21 0.22 0.00 0.18 0.00 0.00 52.55 52.74 2yuf s ASP 84 Cb 0.00 0.32 0.42 0.00 1.07 0.00 0.00 42.92 44.73 2yuf s ASP 84 CO 0.00 -0.57 1.16 0.61 1.18 0.00 0.00 175.17 177.55 2yuf n GLY 85 N 0.73 1.26 2.96 0.21 0.00 -1.26 -4.89 105.19 104.20 2yuf n GLY 85 Ca -0.19 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 2yuf n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2yuf n LYS 86 N 0.00 2.18 -2.25 1.61 4.81 -1.26 -3.94 118.16 119.31 2yuf n LYS 86 Ca 0.02 -4.50 -0.24 0.00 -0.87 0.00 0.00 58.31 52.73 2yuf n LYS 86 Cb 0.99 -2.34 0.01 0.00 0.02 0.00 0.00 35.03 33.71 2yuf n LYS 86 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2yuf n HIS 87 N 2.03 2.89 -2.22 5.64 -0.00 -1.26 -4.45 115.22 117.84 2yuf n HIS 87 Ca 0.21 -2.58 -0.43 0.00 0.46 0.00 0.00 57.72 55.38 2yuf n HIS 87 Cb 0.36 -0.24 -0.02 0.00 -0.12 0.00 0.00 29.99 29.97 2yuf n HIS 87 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2yuf s LEU 88 N -3.57 3.72 0.00 0.27 1.43 -1.26 -4.83 118.68 114.44 2yuf s LEU 88 Ca 0.48 1.25 -0.00 0.00 -1.03 0.00 0.00 54.13 54.82 2yuf s LEU 88 Cb 0.40 -3.53 0.01 0.00 0.03 0.00 0.00 46.19 43.09 2yuf s LEU 88 CO -0.05 -1.37 0.02 0.35 0.23 0.00 0.00 176.35 175.53 2yuf n THR 89 N 6.78 0.00 0.10 5.49 -2.24 -1.26 -4.27 114.28 118.88 2yuf n THR 89 Ca 0.18 -0.01 -0.04 0.00 -2.27 0.00 0.00 64.05 61.92 2yuf n THR 89 Cb 0.47 -1.16 0.14 0.00 -2.10 0.00 0.00 70.33 67.67 2yuf n THR 89 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2yuf h LEU 90 N 0.00 0.18 0.18 3.22 6.46 -2.00 -2.40 115.31 120.96 2yuf h LEU 90 Ca -0.01 -0.10 -0.34 0.00 -0.12 0.00 0.00 57.88 57.31 2yuf h LEU 90 Cb 0.02 -0.05 0.01 0.00 -0.73 0.00 0.00 40.66 39.91 2yuf h LEU 90 CO 0.00 0.74 -1.66 -0.74 -0.62 0.00 0.00 178.44 176.16 2yuf h HIS 91 N 0.12 0.71 -0.11 1.25 2.76 -1.98 -3.33 115.15 114.57 2yuf h HIS 91 Ca -0.01 -0.52 -0.03 0.00 -2.20 0.00 0.00 60.37 57.62 2yuf h HIS 91 Cb 1.09 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 30.01 2yuf h HIS 91 CO 0.01 1.65 -0.06 0.93 -1.30 0.00 0.00 177.93 179.17 2yuf h GLU 92 N 0.04 0.16 -0.70 5.26 5.08 -1.90 -2.00 114.58 120.51 2yuf h GLU 92 Ca -0.33 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 57.94 2yuf h GLU 92 Cb 2.05 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 31.25 2yuf h GLU 92 CO 0.17 0.23 0.18 -0.07 -1.00 0.00 0.00 179.01 178.52 2yuf h LEU 93 N 0.15 1.04 -0.37 1.33 3.38 -1.54 -2.67 115.31 116.63 2yuf h LEU 93 Ca 0.04 -0.21 -0.19 0.00 0.09 0.00 0.00 57.88 57.61 2yuf h LEU 93 Cb 0.21 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2yuf h LEU 93 CO 0.01 0.99 -0.75 0.74 0.09 0.00 0.00 178.44 179.52 2yuf h THR 94 N 1.05 1.38 -0.87 0.22 2.02 -1.52 -3.18 112.91 112.01 2yuf h THR 94 Ca 0.22 -2.17 0.02 0.00 0.77 0.00 0.00 66.41 65.25 2yuf h THR 94 Cb 0.35 2.14 -0.05 0.00 -1.74 0.00 0.00 68.15 68.85 2yuf h THR 94 CO -0.00 0.65 0.58 0.58 0.37 0.00 0.00 175.52 177.70 2yuf h VAL 95 N 0.28 1.20 0.89 3.16 2.07 -1.14 0.80 116.25 123.51 2yuf h VAL 95 Ca -0.04 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 2yuf h VAL 95 Cb 1.33 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2yuf h VAL 95 CO 0.13 0.21 -0.43 0.78 0.02 0.00 0.00 177.57 178.28 2yuf h ASN 96 N 1.15 -1.01 0.63 0.57 4.21 -1.47 -2.77 115.58 116.90 2yuf h ASN 96 Ca 0.33 0.03 -0.04 0.00 1.21 0.00 0.00 56.30 57.83 2yuf h ASN 96 Cb -0.09 0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.37 2yuf h ASN 96 CO -0.08 -0.66 -0.20 -0.33 -1.29 0.00 0.00 177.43 174.87 2yuf h GLU 97 N -1.31 0.00 -0.25 0.81 4.39 -1.54 -3.06 114.58 113.61 2yuf h GLU 97 Ca -0.12 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.60 2yuf h GLU 97 Cb 0.91 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 2yuf h GLU 97 CO 0.20 0.20 0.11 0.00 -1.16 0.00 0.00 179.01 178.36 2yuf h ALA 98 N 1.80 0.30 -1.00 3.43 0.00 0.76 -2.50 119.26 122.04 2yuf h ALA 98 Ca -0.00 0.01 -0.61 0.00 0.00 0.00 0.00 54.91 54.31 2yuf h ALA 98 Cb 0.57 -0.03 -0.30 0.00 0.00 0.00 0.00 17.79 18.03 2yuf h ALA 98 CO 0.03 -0.29 0.79 0.00 0.00 0.00 0.00 179.25 179.77 2yuf n ALA 99 N -2.23 6.03 -0.11 0.00 0.00 -1.06 -4.36 120.51 118.77 2yuf n ALA 99 Ca -0.02 -3.23 -0.20 0.00 0.00 0.00 0.00 53.44 49.99 2yuf n ALA 99 Cb 0.07 -1.64 -0.12 0.00 0.00 0.00 0.00 19.45 17.76 2yuf n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yuf n ALA 100 N -1.01 1.32 0.06 0.00 0.00 -0.94 -4.26 120.51 115.67 2yuf n ALA 100 Ca 0.62 -1.03 -0.10 0.00 0.00 0.00 0.00 53.44 52.93 2yuf n ALA 100 Cb 1.09 -0.15 -0.13 0.00 0.00 0.00 0.00 19.45 20.27 2yuf n ALA 100 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2yuf h GLN 101 N -0.17 0.07 -0.28 0.00 4.20 -1.76 -3.28 115.11 113.89 2yuf h GLN 101 Ca -0.57 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.03 2yuf h GLN 101 Cb 1.86 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.67 2yuf h GLN 101 CO -0.12 0.99 0.19 -0.07 -0.67 0.00 0.00 178.83 179.14 2yuf h LEU 102 N 0.02 0.30 -0.42 1.46 3.38 -1.79 -1.48 115.31 116.77 2yuf h LEU 102 Ca -0.08 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.70 2yuf h LEU 102 Cb 1.85 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.52 2yuf h LEU 102 CO 0.14 0.21 -0.77 0.00 0.09 0.00 0.00 178.44 178.12 2yuf h VAL 104 N 0.16 0.28 -0.42 0.00 2.07 -1.35 -2.85 116.25 114.14 2yuf h VAL 104 Ca -0.03 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.40 2yuf h VAL 104 Cb 1.34 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2yuf h VAL 104 CO 0.12 0.01 0.28 0.11 0.02 0.00 0.00 177.57 178.11 2yuf h LYS 105 N -1.01 0.48 -4.15 1.57 1.79 -1.58 -3.36 116.57 110.32 2yuf h LYS 105 Ca -0.09 -0.03 -0.62 0.00 -2.18 0.00 0.00 60.65 57.73 2yuf h LYS 105 Cb 0.73 -0.11 -0.40 0.00 -1.58 0.00 0.00 32.23 30.87 2yuf h LYS 105 CO 0.16 0.32 -0.75 -0.51 -1.08 0.00 0.00 179.45 177.59 2yuf s ASP 106 N -6.62 4.30 0.42 0.86 1.01 -1.06 -4.97 116.67 110.60 2yuf s ASP 106 Ca -0.08 -1.77 0.15 0.00 0.71 0.00 0.00 52.55 51.56 2yuf s ASP 106 Cb 0.18 -1.23 0.91 0.00 1.01 0.00 0.00 42.92 43.79 2yuf s ASP 106 CO 0.73 -0.37 1.92 -1.13 0.21 0.00 0.00 175.17 176.53 2yuf h ASN 107 N 7.87 0.00 0.21 0.27 -0.00 -1.67 -2.39 115.58 119.87 2yuf h ASN 107 Ca -0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 56.30 56.15 2yuf h ASN 107 Cb 1.03 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.34 2yuf h ASN 107 CO 0.48 0.27 -0.23 0.00 -0.00 0.00 0.00 177.43 177.95 2yuf h ALA 108 N 1.73 1.58 0.00 1.57 0.00 -1.93 -2.22 119.26 119.98 2yuf h ALA 108 Ca -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2yuf h ALA 108 Cb 0.49 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2yuf h ALA 108 CO 0.03 0.31 -0.00 -0.07 0.00 0.00 0.00 179.25 179.53 2yuf h LEU 109 N 0.04 0.00 -1.12 0.00 3.38 -1.73 -2.00 115.31 113.88 2yuf h LEU 109 Ca 0.01 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.09 2yuf h LEU 109 Cb 0.42 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 2yuf h LEU 109 CO 0.03 0.00 0.60 -0.07 0.09 0.00 0.00 178.44 179.10 2yuf h LEU 110 N 0.00 0.85 -0.01 1.67 3.38 -1.53 -1.04 115.31 118.63 2yuf h LEU 110 Ca -0.00 0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 2yuf h LEU 110 Cb 0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2yuf h LEU 110 CO 0.00 0.47 -1.04 0.71 0.09 0.00 0.00 178.44 178.66 2yuf h THR 111 N 0.92 1.64 -2.50 0.22 1.35 -1.54 -3.42 112.91 109.57 2yuf h THR 111 Ca 0.46 -3.23 -0.53 0.00 -0.55 0.00 0.00 66.41 62.55 2yuf h THR 111 Cb 0.48 2.83 -0.06 0.00 -1.73 0.00 0.00 68.15 69.67 2yuf h THR 111 CO -0.22 0.93 1.15 -0.13 -0.25 0.00 0.00 175.52 177.00 2yuf s ARG 112 N -2.76 3.12 0.12 4.72 0.52 -0.40 -4.82 118.95 119.45 2yuf s ARG 112 Ca -0.01 0.33 0.16 0.00 -0.52 0.00 0.00 55.73 55.70 2yuf s ARG 112 Cb 0.09 -4.20 -0.09 0.00 0.52 0.00 0.00 34.95 31.27 2yuf s ARG 112 CO 0.84 -2.18 0.98 0.07 0.02 0.00 0.00 175.30 175.03 2yuf h ARG 113 N 11.74 0.00 0.06 3.54 0.11 -1.83 -3.08 114.38 124.91 2yuf h ARG 113 Ca -0.27 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.53 2yuf h ARG 113 Cb 1.10 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.15 2yuf h ARG 113 CO 1.21 0.34 -1.45 0.22 0.10 0.00 0.00 179.97 180.38 2yuf h ASP 114 N 0.00 0.19 0.25 0.08 1.82 -1.94 -2.98 116.42 113.83 2yuf h ASP 114 Ca -0.12 -0.28 -0.25 0.00 -0.39 0.00 0.00 57.03 56.00 2yuf h ASP 114 Cb 1.52 -0.06 0.01 0.00 0.68 0.00 0.00 39.33 41.48 2yuf h ASP 114 CO 0.05 1.23 -1.02 -0.08 -1.61 0.00 0.00 179.24 177.82 2yuf h GLU 115 N 0.03 0.50 0.00 0.28 4.81 -1.94 -3.07 114.58 115.20 2yuf h GLU 115 Ca -0.20 -0.57 -0.14 0.00 -0.13 0.00 0.00 59.36 58.32 2yuf h GLU 115 Cb 1.95 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 31.48 2yuf h GLU 115 CO 0.13 1.20 -0.69 1.25 -0.73 0.00 0.00 179.01 180.17 2yuf h LEU 116 N 0.27 0.00 -0.32 1.64 5.85 -1.67 -2.87 115.31 118.20 2yuf h LEU 116 Ca -0.11 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 2yuf h LEU 116 Cb 1.67 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 2yuf h LEU 116 CO 0.18 0.69 -0.08 0.15 -0.34 0.00 0.00 178.44 179.04 2yuf h PHE 117 N 0.00 0.69 0.05 1.25 3.57 -1.55 -0.02 116.94 120.94 2yuf h PHE 117 Ca -0.01 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.34 2yuf h PHE 117 Cb 1.22 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.79 2yuf h PHE 117 CO 0.00 0.79 -0.02 0.00 -2.23 0.00 0.00 178.31 176.85 2yuf h ALA 118 N 0.80 -0.07 -0.70 2.41 0.00 -1.55 -2.22 119.26 117.94 2yuf h ALA 118 Ca 0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2yuf h ALA 118 Cb 0.57 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2yuf h ALA 118 CO 0.03 -0.40 0.28 -0.07 0.00 0.00 0.00 179.25 179.09 2yuf h LEU 119 N -0.33 0.95 0.65 0.00 3.38 -1.54 -1.80 115.31 116.62 2yuf h LEU 119 Ca -0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2yuf h LEU 119 Cb 0.30 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2yuf h LEU 119 CO 0.01 0.85 -0.34 0.00 0.09 0.00 0.00 178.44 179.05 2yuf h ALA 120 N 1.28 -0.91 0.00 1.53 0.00 -0.92 -2.52 119.26 117.73 2yuf h ALA 120 Ca 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2yuf h ALA 120 Cb 0.20 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2yuf h ALA 120 CO -0.02 -1.02 -0.03 0.00 0.00 0.00 0.00 179.25 178.18 2yuf h ARG 121 N -0.91 0.00 0.01 0.00 3.08 -1.34 -0.60 114.38 114.63 2yuf h ARG 121 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2yuf h ARG 121 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 2yuf h ARG 121 CO 0.12 0.03 -0.03 1.96 -1.07 0.00 0.00 179.97 180.98 2yuf h GLN 122 N 0.00 -0.06 0.01 0.04 1.08 -0.90 -2.11 115.11 113.16 2yuf h GLN 122 Ca -0.00 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.01 2yuf h GLN 122 Cb 0.05 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 2yuf h GLN 122 CO 0.00 -0.04 -0.92 0.82 -0.95 0.00 0.00 178.83 177.75 2yuf h ILE 123 N -0.06 1.62 0.18 2.54 2.04 -1.17 -3.25 117.51 119.41 2yuf h ILE 123 Ca 0.01 -3.01 0.01 0.00 1.00 0.00 0.00 64.86 62.87 2yuf h ILE 123 Cb 0.07 2.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 2yuf h ILE 123 CO -0.03 0.86 -0.24 -1.28 0.00 0.00 0.00 178.15 177.47 2yuf h SER 124 N 0.02 -0.66 0.01 1.72 0.87 -0.91 0.11 113.55 114.71 2yuf h SER 124 Ca -0.02 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2yuf h SER 124 Cb 1.60 0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 63.80 2yuf h SER 124 CO 0.12 -0.34 -0.01 0.03 -0.53 0.00 0.00 176.83 176.10 2yuf h ARG 125 N -0.48 0.00 0.10 2.24 3.08 -1.49 -1.58 114.38 116.25 2yuf h ARG 125 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2yuf h ARG 125 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2yuf h ARG 125 CO -0.10 0.01 -0.05 0.93 -1.07 0.00 0.00 179.97 179.70 2yuf h GLU 126 N 0.00 -0.14 -0.69 0.04 5.08 -1.36 0.45 114.58 117.96 2yuf h GLU 126 Ca -0.00 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2yuf h GLU 126 Cb 0.02 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 2yuf h GLU 126 CO 0.00 0.36 0.46 0.28 -1.00 0.00 0.00 179.01 179.11 2yuf h VAL 127 N -0.77 1.06 0.02 3.13 2.07 -0.55 0.24 116.25 121.45 2yuf h VAL 127 Ca -0.01 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 2yuf h VAL 127 Cb 0.56 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2yuf h VAL 127 CO 0.02 0.14 -0.35 0.74 0.02 0.00 0.00 177.57 178.15 2yuf h THR 128 N 0.78 1.55 0.17 2.57 2.02 -1.34 -3.39 112.91 115.27 2yuf h THR 128 Ca 0.29 -2.08 -0.01 0.00 0.77 0.00 0.00 66.41 65.38 2yuf h THR 128 Cb 0.15 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.42 2yuf h THR 128 CO -0.09 0.57 -0.08 0.22 0.37 0.00 0.00 175.52 176.52 2yuf h TYR 129 N -0.48 -0.21 -3.55 3.16 3.20 -0.59 -3.44 116.97 115.07 2yuf h TYR 129 Ca -0.05 -0.00 -0.52 0.00 3.14 0.00 0.00 58.73 61.29 2yuf h TYR 129 Cb 1.13 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.44 2yuf h TYR 129 CO 0.19 -0.13 0.12 0.15 -1.64 0.00 0.00 178.16 176.85 2yuf s LYS 130 N -2.93 4.31 0.09 1.82 1.02 0.83 -5.06 119.74 119.82 2yuf s LYS 130 Ca -0.03 0.92 -0.02 0.00 0.02 0.00 0.00 55.97 56.86 2yuf s LYS 130 Cb 0.00 -2.97 0.01 0.00 -0.52 0.00 0.00 37.83 34.35 2yuf s LYS 130 CO 0.10 0.44 0.14 0.66 -0.92 0.00 0.00 175.35 175.77 2yuf n TYR 131 N 0.94 -0.91 -1.19 3.18 4.01 -1.26 -4.34 117.16 117.58 2yuf n TYR 131 Ca -0.03 -0.52 -0.30 0.00 -0.16 0.00 0.00 57.90 56.88 2yuf n TYR 131 Cb 0.51 0.16 0.13 0.00 -0.31 0.00 0.00 39.34 39.83 2yuf n TYR 131 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2yuf s THR 132 N -2.62 2.74 -1.06 -0.72 -4.23 -1.26 -4.96 115.64 103.53 2yuf s THR 132 Ca 0.06 0.24 -0.12 0.00 -1.18 0.00 0.00 61.69 60.68 2yuf s THR 132 Cb -0.01 -2.71 0.22 0.00 1.34 0.00 0.00 72.50 71.34 2yuf s THR 132 CO 0.04 -0.31 1.14 -0.31 -0.54 0.00 0.00 174.62 174.64 2yuf s TYR 133 N -2.92 3.83 0.83 3.99 1.51 -1.26 -5.03 117.35 118.30 2yuf s TYR 133 Ca 0.63 -2.26 -0.14 0.00 -1.01 0.00 0.00 57.07 54.30 2yuf s TYR 133 Cb -0.18 -4.02 0.21 0.00 -0.11 0.00 0.00 41.96 37.86 2yuf s TYR 133 CO 0.57 -1.14 0.73 0.54 -1.11 0.00 0.00 175.55 175.13 2yuf n ARG 134 N 4.20 -2.50 -0.02 -0.62 3.00 -1.26 -5.05 116.66 114.42 2yuf n ARG 134 Ca 0.25 -1.16 -0.02 0.00 -0.01 0.00 0.00 57.85 56.91 2yuf n ARG 134 Cb 0.43 -1.10 -0.01 0.00 0.00 0.00 0.00 32.46 31.78 2yuf n ARG 134 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2yuf n THR 135 N -4.11 0.34 -1.38 0.55 -2.24 -1.26 -4.99 114.28 101.19 2yuf n THR 135 Ca 0.10 0.42 -0.31 0.00 -2.27 0.00 0.00 64.05 61.99 2yuf n THR 135 Cb 0.39 -1.70 0.08 0.00 -2.10 0.00 0.00 70.33 67.00 2yuf n THR 135 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2yuf s THR 136 N -1.38 3.51 -0.30 4.28 -4.23 -1.26 -5.06 115.64 111.19 2yuf s THR 136 Ca -0.05 0.51 -0.11 0.00 -1.18 0.00 0.00 61.69 60.85 2yuf s THR 136 Cb 0.01 -3.06 0.17 0.00 1.34 0.00 0.00 72.50 70.96 2yuf s THR 136 CO 0.08 -0.62 0.93 -0.55 -0.54 0.00 0.00 174.62 173.92 2yuf s SER 137 N -3.44 -0.70 0.38 3.99 0.15 -1.26 -5.18 113.70 107.64 2yuf s SER 137 Ca 0.61 0.62 0.04 0.00 0.70 0.00 0.00 55.95 57.92 2yuf s SER 137 Cb -0.17 1.66 -0.03 0.00 -1.71 0.00 0.00 66.02 65.78 2yuf s SER 137 CO 0.55 -0.13 0.16 -0.83 1.20 0.00 0.00 173.24 174.18 2yuf s GLY 138 N 2.75 2.47 -0.12 9.45 0.00 -1.26 -5.10 107.32 115.52 2yuf s GLY 138 Ca 0.02 -1.48 -0.36 0.00 0.00 0.00 0.00 44.72 42.90 2yuf s GLY 138 CO -0.15 -1.73 1.76 -1.05 0.00 0.00 0.00 173.10 171.93 2yuf n PRO 139 N -0.81 1.74 -2.06 2.90 -0.02 -1.26 -4.86 135.00 130.64 2yuf n PRO 139 Ca -0.02 0.64 0.01 0.00 -2.02 0.00 0.00 63.50 62.11 2yuf n PRO 139 Cb 0.64 -2.40 0.03 0.00 -0.02 0.00 0.00 33.50 31.75 2yuf n PRO 139 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2yuf n SER 140 N 5.57 0.94 -0.13 2.55 2.88 -1.26 -4.90 113.62 119.27 2yuf n SER 140 Ca 0.23 -2.02 -0.27 0.00 -1.33 0.00 0.00 58.87 55.48 2yuf n SER 140 Cb 0.23 -0.27 -0.11 0.00 -0.75 0.00 0.00 64.21 63.31 2yuf n SER 140 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yuf n SER 141 N -0.09 1.93 0.00 -3.46 7.64 -1.26 -5.33 113.62 113.05 2yuf n SER 141 Ca 0.03 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.25 2yuf n SER 141 Cb 0.96 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2yuf n SER 141 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64