#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocr n SER 2 N 0.00 1.02 -3.61 0.00 2.88 -1.26 -5.21 113.62 107.45 1ocr n SER 2 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1ocr n SER 2 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1ocr n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ocr s ALA 3 N -1.26 -2.03 0.00 -1.46 0.00 -1.26 -5.14 121.76 110.61 1ocr s ALA 3 Ca 0.00 1.73 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1ocr s ALA 3 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1ocr s ALA 3 CO 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 175.76 175.46 1ocr n ALA 4 N 0.55 0.00 -1.77 0.00 0.00 -1.26 -5.08 120.51 112.96 1ocr n ALA 4 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.06 1ocr n ALA 4 Cb 0.58 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.08 1ocr n ALA 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1ocr n LYS 5 N 0.00 2.96 0.00 0.00 2.85 -1.26 -5.04 118.16 117.68 1ocr n LYS 5 Ca 0.00 -3.67 0.00 0.00 -1.05 0.00 0.00 58.31 53.59 1ocr n LYS 5 Cb 0.00 -2.28 0.00 0.00 -0.65 0.00 0.00 35.03 32.10 1ocr n LYS 5 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ocr n GLY 6 N -0.71 -0.07 3.83 2.58 0.00 -1.26 -4.88 105.19 104.67 1ocr n GLY 6 Ca 0.54 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 1ocr n GLY 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ocr s ASP 7 N -4.00 4.41 0.00 1.61 2.15 -1.26 -4.94 116.67 114.64 1ocr s ASP 7 Ca 0.00 -1.38 0.00 0.00 0.43 0.00 0.00 52.55 51.60 1ocr s ASP 7 Cb 0.00 0.34 0.00 0.00 -0.30 0.00 0.00 42.92 42.96 1ocr s ASP 7 CO 0.00 -0.94 0.00 1.41 -0.17 0.00 0.00 175.17 175.47 1ocr n HIS 8 N -1.51 0.00 -2.51 -5.34 8.25 -1.26 -5.02 115.22 107.83 1ocr n HIS 8 Ca -0.08 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.36 1ocr n HIS 8 Cb 0.65 -1.45 0.05 0.00 1.12 0.00 0.00 29.99 30.36 1ocr n HIS 8 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ocr n GLY 9 N -0.60 2.56 3.63 -1.41 0.00 -1.26 -4.98 105.19 103.15 1ocr n GLY 9 Ca 0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 46.02 44.72 1ocr n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ocr s GLY 10 N -3.22 0.08 -0.07 -0.02 0.00 -1.26 -5.11 107.32 97.71 1ocr s GLY 10 Ca 0.34 2.83 -0.06 0.00 0.00 0.00 0.00 44.72 47.83 1ocr s GLY 10 CO -0.07 1.24 0.11 -1.30 0.00 0.00 0.00 173.10 173.09 1ocr n THR 11 N 0.74-13.03 0.00 0.90 -2.24 -1.26 -5.01 114.28 94.39 1ocr n THR 11 Ca -0.03 2.97 0.00 0.00 -2.27 0.00 0.00 64.05 64.71 1ocr n THR 11 Cb 0.58 -6.24 0.00 0.00 -2.10 0.00 0.00 70.33 62.58 1ocr n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ocr n GLY 12 N 1.81 3.64 0.30 3.38 0.00 -1.26 -4.75 105.19 108.32 1ocr n GLY 12 Ca -0.19 -0.99 0.12 0.00 0.00 0.00 0.00 46.02 44.95 1ocr n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ocr h ALA 13 N 0.00 2.15 -0.56 4.61 0.00 -1.99 0.12 119.26 123.60 1ocr h ALA 13 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1ocr h ALA 13 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1ocr h ALA 13 CO 0.00 -0.22 -0.01 -0.09 0.00 0.00 0.00 179.25 178.94 1ocr h ARG 14 N 0.00 0.96 -0.47 0.00 2.43 -1.99 -1.66 114.38 113.65 1ocr h ARG 14 Ca 0.08 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 1ocr h ARG 14 Cb 0.34 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1ocr h ARG 14 CO -0.00 0.95 0.14 1.15 -1.51 0.00 0.00 179.97 180.70 1ocr h THR 15 N 0.88 1.23 0.00 0.20 2.02 -1.08 -0.12 112.91 116.04 1ocr h THR 15 Ca 0.16 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1ocr h THR 15 Cb 0.53 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1ocr h THR 15 CO 0.03 0.28 0.00 -0.50 0.37 0.00 0.00 175.52 175.69 1ocr h TRP 16 N 0.63 0.00 0.24 3.16 4.06 -1.25 0.76 115.95 123.55 1ocr h TRP 16 Ca 0.15 0.00 -0.32 0.00 2.06 0.00 0.00 58.89 60.78 1ocr h TRP 16 Cb 0.28 0.00 0.04 0.00 -1.00 0.00 0.00 29.16 28.47 1ocr h TRP 16 CO 0.01 0.00 -1.44 -0.09 -3.56 0.00 0.00 178.44 173.37 1ocr h ARG 17 N 0.00 0.51 -0.27 0.49 1.12 -0.85 -1.55 114.38 113.83 1ocr h ARG 17 Ca 0.00 -0.87 0.01 0.00 -1.11 0.00 0.00 59.98 58.01 1ocr h ARG 17 Cb 0.58 0.32 -0.02 0.00 -0.01 0.00 0.00 29.97 30.85 1ocr h ARG 17 CO 0.00 1.42 0.16 0.35 -3.11 0.00 0.00 179.97 178.79 1ocr h PHE 18 N 0.09 0.30 -0.33 2.20 3.57 -0.22 -1.15 116.94 121.39 1ocr h PHE 18 Ca -0.25 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.15 1ocr h PHE 18 Cb 2.11 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.74 1ocr h PHE 18 CO 0.14 0.18 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.09 1ocr h LEU 19 N 0.33 0.67 0.01 0.59 3.38 -0.90 0.23 115.31 119.61 1ocr h LEU 19 Ca 0.11 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1ocr h LEU 19 Cb -0.01 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1ocr h LEU 19 CO -0.05 0.89 -0.01 0.74 0.09 0.00 0.00 178.44 180.11 1ocr h THR 20 N 0.57 1.02 0.00 0.22 2.02 -0.65 -0.25 112.91 115.85 1ocr h THR 20 Ca 0.08 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 67.07 1ocr h THR 20 Cb 0.71 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1ocr h THR 20 CO 0.05 0.03 -1.01 -0.26 0.37 0.00 0.00 175.52 174.71 1ocr h PHE 21 N -0.06 0.00 0.00 3.16 0.04 -1.21 -1.18 116.94 117.69 1ocr h PHE 21 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1ocr h PHE 21 Cb 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1ocr h PHE 21 CO -0.06 0.30 -1.32 0.41 -0.60 0.00 0.00 178.31 177.04 1ocr n GLY 22 N 1.27 -1.17 1.60 -1.45 0.00 0.80 -4.44 105.19 101.80 1ocr n GLY 22 Ca -0.03 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1ocr n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ocr n LEU 23 N -2.14 0.23 0.22 0.99 7.94 -0.42 -4.78 117.00 119.03 1ocr n LEU 23 Ca -0.00 0.23 -0.11 0.00 -1.11 0.00 0.00 56.01 55.02 1ocr n LEU 23 Cb 0.49 0.07 -0.05 0.00 0.53 0.00 0.00 43.42 44.46 1ocr n LEU 23 CO 0.42 -0.61 0.52 0.00 -1.11 0.00 0.00 177.39 176.61 1ocr h ALA 24 N 0.00 -1.08 -0.85 1.96 0.00 -1.12 -2.24 119.26 115.93 1ocr h ALA 24 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1ocr h ALA 24 Cb 0.15 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1ocr h ALA 24 CO 0.00 -1.06 0.52 -0.07 0.00 0.00 0.00 179.25 178.64 1ocr h LEU 25 N -0.64 0.79 -1.55 0.00 3.38 -1.46 -1.25 115.31 114.57 1ocr h LEU 25 Ca -0.05 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ocr h LEU 25 Cb 0.52 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1ocr h LEU 25 CO 0.04 0.48 0.23 -0.65 0.09 0.00 0.00 178.44 178.63 1ocr h PRO 26 N 0.91 0.53 -0.82 1.13 0.11 -1.75 -1.68 132.00 130.44 1ocr h PRO 26 Ca 0.39 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.42 1ocr h PRO 26 Cb 0.25 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.21 1ocr h PRO 26 CO -0.20 0.38 0.38 0.77 -0.21 0.00 0.00 178.00 179.12 1ocr h SER 27 N 0.55 1.08 -0.70 -2.05 0.02 -0.61 -1.19 113.55 110.65 1ocr h SER 27 Ca 0.14 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1ocr h SER 27 Cb -0.01 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.22 1ocr h SER 27 CO -0.03 0.92 0.19 0.58 -1.14 0.00 0.00 176.83 177.35 1ocr h VAL 28 N 1.16 1.26 -0.60 2.27 2.07 -0.89 -0.74 116.25 120.80 1ocr h VAL 28 Ca 0.28 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1ocr h VAL 28 Cb 0.14 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1ocr h VAL 28 CO -0.03 0.36 0.19 0.00 0.02 0.00 0.00 177.57 178.11 1ocr h ALA 29 N 1.09 0.78 -0.10 1.67 0.00 -0.75 0.94 119.26 122.89 1ocr h ALA 29 Ca 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ocr h ALA 29 Cb 0.35 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ocr h ALA 29 CO -0.00 0.44 0.05 -0.07 0.00 0.00 0.00 179.25 179.67 1ocr h LEU 30 N 0.84 0.14 -1.77 0.00 3.38 -1.01 0.13 115.31 117.03 1ocr h LEU 30 Ca 0.19 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1ocr h LEU 30 Cb 0.28 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ocr h LEU 30 CO -0.01 0.24 -0.16 0.00 0.09 0.00 0.00 178.44 178.61 1ocr h THR 32 N 0.00 1.29 0.04 0.00 2.02 0.02 0.82 112.91 117.09 1ocr h THR 32 Ca -0.00 -1.86 -0.00 0.00 0.77 0.00 0.00 66.41 65.31 1ocr h THR 32 Cb 0.34 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 1ocr h THR 32 CO 0.02 0.59 -0.02 0.25 0.37 0.00 0.00 175.52 176.74 1ocr h LEU 33 N 0.51 -0.04 0.71 2.58 5.85 -0.16 -2.65 115.31 122.11 1ocr h LEU 33 Ca -0.03 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1ocr h LEU 33 Cb 1.28 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 1ocr h LEU 33 CO 0.14 0.06 -0.41 -1.13 -0.34 0.00 0.00 178.44 176.76 1ocr h ASN 34 N -0.14 -1.03 0.00 1.25 -1.24 -0.94 0.22 115.58 113.70 1ocr h ASN 34 Ca -0.01 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.06 1ocr h ASN 34 Cb 0.13 0.30 0.00 0.00 0.73 0.00 0.00 38.32 39.47 1ocr h ASN 34 CO 0.01 -0.66 0.00 -1.20 -1.29 0.00 0.00 177.43 174.29 1ocr n SER 35 N -5.56 0.00 0.00 1.15 7.64 0.28 -0.51 113.62 116.62 1ocr n SER 35 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1ocr n SER 35 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1ocr n SER 35 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1ocr n TRP 36 N -0.77 0.00 -0.28 1.43 -0.00 -0.81 -3.81 117.44 113.20 1ocr n TRP 36 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.56 1ocr n TRP 36 Cb 0.00 0.00 0.29 0.00 -0.00 0.00 0.00 31.31 31.60 1ocr n TRP 36 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1ocr n LEU 37 N -0.79 4.22 0.00 5.87 4.32 0.70 -4.13 117.00 127.19 1ocr n LEU 37 Ca 0.00 -2.14 0.00 0.00 -0.02 0.00 0.00 56.01 53.85 1ocr n LEU 37 Cb 0.00 -0.58 0.00 0.00 -1.62 0.00 0.00 43.42 41.22 1ocr n LEU 37 CO 0.00 0.58 -0.00 1.41 -1.22 0.00 0.00 177.39 178.15 1ocr n HIS 38 N 0.61 0.00 -2.02 -1.77 8.25 -0.93 -4.99 115.22 114.37 1ocr n HIS 38 Ca 0.20 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.27 1ocr n HIS 38 Cb 0.86 0.37 -0.03 0.00 1.12 0.00 0.00 29.99 32.31 1ocr n HIS 38 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ocr s SER 39 N -4.49 5.42 0.00 0.41 0.01 -1.25 -4.81 113.70 108.98 1ocr s SER 39 Ca 0.00 0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.89 1ocr s SER 39 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1ocr s SER 39 CO 0.00 -2.21 0.00 0.61 0.41 0.00 0.00 173.24 172.05 1ocr n GLY 40 N 5.62 1.06 3.32 3.44 0.00 -1.26 -4.81 105.19 112.57 1ocr n GLY 40 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 1ocr n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ocr s HIS 41 N 1.37 -0.73 -0.06 1.61 3.76 -1.26 -5.13 115.29 114.86 1ocr s HIS 41 Ca 0.00 1.48 -0.30 0.00 -0.15 0.00 0.00 55.06 56.09 1ocr s HIS 41 Cb 0.00 0.34 -0.02 0.00 1.11 0.00 0.00 32.58 34.00 1ocr s HIS 41 CO 0.00 -0.41 1.03 -0.98 -0.85 0.00 0.00 174.74 173.53 1ocr s ARG 42 N 1.78 4.46 0.27 1.40 1.70 -1.26 -4.98 118.95 122.32 1ocr s ARG 42 Ca -0.08 1.46 -0.30 0.00 -0.47 0.00 0.00 55.73 56.34 1ocr s ARG 42 Cb -0.09 -3.51 -0.12 0.00 -0.57 0.00 0.00 34.95 30.67 1ocr s ARG 42 CO -0.14 -0.24 1.62 0.39 -1.08 0.00 0.00 175.30 175.84 1ocr n GLU 43 N 4.62 2.69 -1.69 3.89 -0.58 -1.26 -4.87 120.64 123.45 1ocr n GLU 43 Ca 0.08 0.96 -0.44 0.00 -0.42 0.00 0.00 57.16 57.34 1ocr n GLU 43 Cb 0.49 -2.75 -0.04 0.00 -0.57 0.00 0.00 31.44 28.57 1ocr n GLU 43 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1ocr n ARG 44 N 2.51 2.45 -1.69 3.49 1.85 -1.26 -4.92 116.66 119.09 1ocr n ARG 44 Ca 0.10 0.89 -0.42 0.00 -1.00 0.00 0.00 57.85 57.42 1ocr n ARG 44 Cb 0.36 -2.71 0.00 0.00 -1.05 0.00 0.00 32.46 29.06 1ocr n ARG 44 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1ocr n PRO 45 N 4.35 1.96 -1.87 2.89 -0.02 -1.26 -4.95 135.00 136.10 1ocr n PRO 45 Ca 0.18 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.93 1ocr n PRO 45 Cb 0.32 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.46 1ocr n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ocr s ALA 46 N -1.16 3.75 -0.13 3.55 0.00 -1.26 -4.93 121.76 121.58 1ocr s ALA 46 Ca 0.59 1.47 -0.27 0.00 0.00 0.00 0.00 51.96 53.75 1ocr s ALA 46 Cb -0.54 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 18.94 1ocr s ALA 46 CO 0.60 -0.87 0.88 0.12 0.00 0.00 0.00 175.76 176.49 1ocr s PHE 47 N 0.39 3.48 -0.04 0.00 5.36 -1.26 -5.02 117.98 120.89 1ocr s PHE 47 Ca 0.65 1.38 -0.02 0.00 -0.96 0.00 0.00 56.93 57.98 1ocr s PHE 47 Cb -0.46 -3.05 0.03 0.00 -0.34 0.00 0.00 43.02 39.21 1ocr s PHE 47 CO 0.41 -0.18 0.04 -1.50 -1.46 0.00 0.00 175.22 172.53 1ocr s ILE 48 N 1.88 0.00 -0.21 3.12 2.07 -1.26 -5.07 121.20 121.74 1ocr s ILE 48 Ca 0.42 0.34 -0.06 0.00 -1.41 0.00 0.00 60.65 59.95 1ocr s ILE 48 Cb -0.17 -0.23 -0.06 0.00 0.13 0.00 0.00 42.46 42.13 1ocr s ILE 48 CO 0.16 0.19 1.32 -0.81 -1.91 0.00 0.00 174.94 173.89 1ocr n PRO 49 N 5.17 0.46 -2.17 3.50 -0.04 -1.26 -4.93 135.00 135.73 1ocr n PRO 49 Ca -0.06 -0.80 -0.38 0.00 -0.04 0.00 0.00 63.50 62.23 1ocr n PRO 49 Cb 0.50 -2.18 -0.00 0.00 -0.04 0.00 0.00 33.50 31.78 1ocr n PRO 49 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1ocr s TYR 50 N 4.93 2.80 -0.46 0.54 2.02 -1.26 -4.93 117.35 120.99 1ocr s TYR 50 Ca 0.18 1.50 0.24 0.00 -0.37 0.00 0.00 57.07 58.62 1ocr s TYR 50 Cb 0.04 -3.48 0.34 0.00 -0.40 0.00 0.00 41.96 38.47 1ocr s TYR 50 CO 0.04 -1.76 1.47 0.45 -1.57 0.00 0.00 175.55 174.18 1ocr h HIS 51 N 2.10 0.00 -0.33 2.71 3.86 -1.99 -3.22 115.15 118.27 1ocr h HIS 51 Ca -0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1ocr h HIS 51 Cb 1.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.72 1ocr h HIS 51 CO 0.52 0.00 0.00 -2.39 0.86 0.00 0.00 177.93 176.92 1ocr n HIS 52 N -2.75 0.56 -4.52 2.45 1.44 -1.26 -4.85 115.22 106.29 1ocr n HIS 52 Ca 0.03 -0.25 -0.25 0.00 -2.01 0.00 0.00 57.72 55.24 1ocr n HIS 52 Cb 0.51 -0.05 -0.09 0.00 0.12 0.00 0.00 29.99 30.48 1ocr n HIS 52 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ocr s LEU 53 N -1.05 2.08 -1.32 2.39 1.43 -1.22 -4.85 118.68 116.15 1ocr s LEU 53 Ca 0.24 -1.58 -0.17 0.00 -1.03 0.00 0.00 54.13 51.58 1ocr s LEU 53 Cb 0.13 -0.26 0.02 0.00 0.03 0.00 0.00 46.19 46.12 1ocr s LEU 53 CO 0.14 -0.83 0.33 0.54 0.23 0.00 0.00 176.35 176.77 1ocr n ARG 54 N -0.88 -0.58 -2.32 1.70 3.00 -1.26 -4.83 116.66 111.49 1ocr n ARG 54 Ca -0.06 0.05 -0.41 0.00 -0.01 0.00 0.00 57.85 57.43 1ocr n ARG 54 Cb 0.66 -2.83 -0.03 0.00 0.00 0.00 0.00 32.46 30.25 1ocr n ARG 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1ocr s ILE 55 N -3.96 3.21 -0.35 0.55 -1.09 -1.26 -4.78 121.20 113.52 1ocr s ILE 55 Ca 0.24 1.18 0.02 0.00 -2.23 0.00 0.00 60.65 59.86 1ocr s ILE 55 Cb -0.14 -3.75 0.15 0.00 -1.58 0.00 0.00 42.46 37.14 1ocr s ILE 55 CO 0.94 0.27 0.32 -0.13 -1.23 0.00 0.00 174.94 175.11 1ocr s ARG 56 N -1.36 0.55 -0.02 2.79 1.81 -1.26 -4.95 118.95 116.52 1ocr s ARG 56 Ca 0.48 -0.82 0.20 0.00 -1.72 0.00 0.00 55.73 53.87 1ocr s ARG 56 Cb -0.35 -0.84 -0.27 0.00 -0.45 0.00 0.00 34.95 33.04 1ocr s ARG 56 CO 0.44 -1.16 0.55 0.25 -0.68 0.00 0.00 175.30 174.70 1ocr n THR 57 N 4.42 0.00 -3.64 0.02 -2.24 -1.26 -4.93 114.28 106.65 1ocr n THR 57 Ca 0.08 -0.32 -0.09 0.00 -2.27 0.00 0.00 64.05 61.45 1ocr n THR 57 Cb 0.44 0.35 -0.07 0.00 -2.10 0.00 0.00 70.33 68.95 1ocr n THR 57 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ocr s LYS 58 N -3.19 0.71 0.36 -0.78 2.20 -1.26 -5.15 119.74 112.64 1ocr s LYS 58 Ca -0.03 1.14 -0.28 0.00 -0.36 0.00 0.00 55.97 56.45 1ocr s LYS 58 Cb 0.13 0.19 -0.10 0.00 -1.51 0.00 0.00 37.83 36.54 1ocr s LYS 58 CO 0.81 -0.14 1.36 -1.25 -0.36 0.00 0.00 175.35 175.77 1ocr s PRO 59 N 1.34 4.20 0.47 4.03 0.04 -1.26 -4.95 135.00 138.87 1ocr s PRO 59 Ca -0.08 2.32 -0.25 0.00 0.04 0.00 0.00 61.00 63.04 1ocr s PRO 59 Cb -0.05 -2.98 -0.08 0.00 0.04 0.00 0.00 34.50 31.43 1ocr s PRO 59 CO -0.15 -0.35 1.38 1.19 0.04 0.00 0.00 177.00 179.10 1ocr n PHE 60 N 0.57 2.47 -0.62 0.56 3.72 -1.02 -4.83 117.46 118.31 1ocr n PHE 60 Ca 0.01 0.45 -0.05 0.00 -0.05 0.00 0.00 57.45 57.81 1ocr n PHE 60 Cb 0.41 -2.42 0.01 0.00 -0.94 0.00 0.00 39.48 36.54 1ocr n PHE 60 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1ocr n SER 61 N -0.27 5.65 -3.52 4.37 3.41 -1.26 -3.84 113.62 118.16 1ocr n SER 61 Ca 0.07 -2.59 -0.15 0.00 -0.26 0.00 0.00 58.87 55.94 1ocr n SER 61 Cb 0.42 -1.12 -0.05 0.00 -0.26 0.00 0.00 64.21 63.20 1ocr n SER 61 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 1ocr s TRP 62 N -0.47 -0.55 0.00 7.33 -2.14 -1.26 -5.04 118.94 116.81 1ocr s TRP 62 Ca 0.09 0.83 0.00 0.00 2.66 0.00 0.00 56.10 59.69 1ocr s TRP 62 Cb 0.07 0.45 0.00 0.00 -3.10 0.00 0.00 33.47 30.89 1ocr s TRP 62 CO -0.00 -0.58 0.00 0.41 -2.66 0.00 0.00 176.95 174.12 1ocr n GLY 63 N 0.59 3.06 1.25 3.67 0.00 -1.26 -1.41 105.19 111.09 1ocr n GLY 63 Ca -0.16 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.70 1ocr n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ocr n ASP 64 N 4.33 3.65 -1.54 1.61 5.75 -1.26 -4.94 116.55 124.15 1ocr n ASP 64 Ca 0.00 -2.27 -0.20 0.00 -0.01 0.00 0.00 54.79 52.31 1ocr n ASP 64 Cb 0.00 -0.48 -0.09 0.00 -1.03 0.00 0.00 41.12 39.52 1ocr n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ocr n GLY 65 N 1.06 1.92 0.00 6.12 0.00 -0.50 -4.75 105.19 109.04 1ocr n GLY 65 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1ocr n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ocr n ASN 66 N -1.29 0.41 -4.19 1.61 5.15 -1.26 -2.42 115.26 113.26 1ocr n ASN 66 Ca -0.20 -1.09 -0.33 0.00 -0.60 0.00 0.00 54.58 52.36 1ocr n ASN 66 Cb 0.67 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.76 1ocr n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1ocr s HIS 67 N -0.09 2.73 0.92 1.20 3.76 -1.26 -4.86 115.29 117.68 1ocr s HIS 67 Ca 0.00 -1.30 -0.10 0.00 -0.15 0.00 0.00 55.06 53.51 1ocr s HIS 67 Cb 0.00 -1.86 0.15 0.00 1.11 0.00 0.00 32.58 31.98 1ocr s HIS 67 CO 0.00 -0.60 1.12 0.95 -0.85 0.00 0.00 174.74 175.36 1ocr s THR 68 N 0.91 2.26 0.16 1.30 -4.23 -1.26 -4.92 115.64 109.87 1ocr s THR 68 Ca -0.04 0.08 -0.17 0.00 -1.18 0.00 0.00 61.69 60.38 1ocr s THR 68 Cb -0.15 -2.20 0.08 0.00 1.34 0.00 0.00 72.50 71.58 1ocr s THR 68 CO -0.03 -0.11 1.67 0.15 -0.54 0.00 0.00 174.62 175.76 1ocr h PHE 69 N -1.85 -0.20 -1.82 3.99 3.57 -1.99 -2.51 116.94 116.13 1ocr h PHE 69 Ca -0.46 0.03 -0.69 0.00 3.53 0.00 0.00 57.97 60.38 1ocr h PHE 69 Cb 1.27 0.15 -0.33 0.00 2.79 0.00 0.00 35.95 39.82 1ocr h PHE 69 CO 0.48 -0.16 0.29 1.19 -2.23 0.00 0.00 178.31 177.88 1ocr n PHE 70 N -5.29 3.18 -1.71 0.41 3.01 -1.26 -5.03 117.46 110.76 1ocr n PHE 70 Ca 0.02 -2.70 -0.42 0.00 1.01 0.00 0.00 57.45 55.36 1ocr n PHE 70 Cb 0.21 -0.72 -0.03 0.00 -0.01 0.00 0.00 39.48 38.93 1ocr n PHE 70 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1ocr s HIS 71 N -3.85 2.38 -0.30 1.38 2.46 -0.95 -4.97 115.29 111.43 1ocr s HIS 71 Ca 0.50 0.08 0.03 0.00 0.47 0.00 0.00 55.06 56.14 1ocr s HIS 71 Cb 0.41 -4.17 0.08 0.00 -0.13 0.00 0.00 32.58 28.77 1ocr s HIS 71 CO -0.31 -4.72 -0.02 1.21 -2.47 0.00 0.00 174.74 168.43 1ocr s ASN 72 N 2.24 4.57 0.43 9.88 3.84 -1.26 -5.00 114.94 129.64 1ocr s ASN 72 Ca 0.79 -1.78 0.20 0.00 0.21 0.00 0.00 52.86 52.29 1ocr s ASN 72 Cb -0.47 -1.55 1.15 0.00 -0.55 0.00 0.00 41.25 39.83 1ocr s ASN 72 CO 0.35 -0.29 1.83 -0.65 -2.79 0.00 0.00 177.10 175.55 1ocr h PRO 73 N 7.71 0.33 -0.26 0.43 0.11 -1.94 0.84 132.00 139.21 1ocr h PRO 73 Ca -0.11 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.87 1ocr h PRO 73 Cb 1.03 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1ocr h PRO 73 CO 0.49 0.22 -0.28 -0.09 -0.21 0.00 0.00 178.00 178.13 1ocr h ARG 74 N 0.34 0.53 0.00 1.05 2.43 -1.99 -3.36 114.38 113.39 1ocr h ARG 74 Ca 0.50 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1ocr h ARG 74 Cb 1.37 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1ocr h ARG 74 CO -0.18 0.76 -0.15 1.33 -1.51 0.00 0.00 179.97 180.22 1ocr n VAL 75 N -4.10 0.00 -3.86 0.20 0.24 -0.20 -4.75 118.33 105.86 1ocr n VAL 75 Ca -0.01 -0.43 -0.35 0.00 -2.04 0.00 0.00 64.34 61.51 1ocr n VAL 75 Cb 0.43 0.96 -0.13 0.00 -1.47 0.00 0.00 33.84 33.63 1ocr n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1ocr s ASN 76 N -1.23 5.03 0.49 -1.34 0.02 0.27 -4.86 114.94 113.32 1ocr s ASN 76 Ca 0.00 -1.46 -0.19 0.00 -1.02 0.00 0.00 52.86 50.20 1ocr s ASN 76 Cb 0.01 -1.76 -0.09 0.00 0.02 0.00 0.00 41.25 39.44 1ocr s ASN 76 CO 0.06 -0.34 1.00 -2.16 0.02 0.00 0.00 177.10 175.68 1ocr s PRO 77 N 1.23 3.93 0.91 -0.60 0.04 -1.26 -4.53 135.00 134.72 1ocr s PRO 77 Ca -0.01 1.16 -0.13 0.00 0.04 0.00 0.00 61.00 62.05 1ocr s PRO 77 Cb -0.20 -2.13 0.18 0.00 0.04 0.00 0.00 34.50 32.39 1ocr s PRO 77 CO -0.02 -0.30 1.26 -0.51 0.04 0.00 0.00 177.00 177.47 1ocr s LEU 78 N -3.65 2.74 0.63 -3.56 1.02 -0.78 -4.87 118.68 110.21 1ocr s LEU 78 Ca 0.63 0.22 0.38 0.00 0.02 0.00 0.00 54.13 55.38 1ocr s LEU 78 Cb -0.12 -2.35 2.14 0.00 0.02 0.00 0.00 46.19 45.88 1ocr s LEU 78 CO 0.22 -2.52 2.31 -0.65 0.02 0.00 0.00 176.35 175.73 1ocr h PRO 79 N -1.42 0.00 -0.01 1.29 0.11 -1.89 -0.82 132.00 129.26 1ocr h PRO 79 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1ocr h PRO 79 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1ocr h PRO 79 CO 0.41 0.01 -0.25 0.25 -0.21 0.00 0.00 178.00 178.20 1ocr n THR 80 N -3.38 0.00 0.00 -1.15 -2.24 -1.26 -4.91 114.28 101.34 1ocr n THR 80 Ca -0.03 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1ocr n THR 80 Cb 0.09 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1ocr n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ocr n GLY 81 N 1.33 1.94 3.61 3.38 0.00 -0.32 -5.06 105.19 110.07 1ocr n GLY 81 Ca 0.13 -2.21 -0.37 0.00 0.00 0.00 0.00 46.02 43.57 1ocr n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ocr n TYR 82 N -1.02 0.65 0.12 1.61 4.01 -1.26 -1.86 117.16 119.41 1ocr n TYR 82 Ca 0.00 0.41 -0.05 0.00 -0.16 0.00 0.00 57.90 58.10 1ocr n TYR 82 Cb 0.00 -2.10 -0.02 0.00 -0.31 0.00 0.00 39.34 36.91 1ocr n TYR 82 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1ocr h GLU 83 N 0.10 -0.31 0.00 -0.72 5.08 -1.85 -3.46 114.58 113.42 1ocr h GLU 83 Ca -0.48 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1ocr h GLU 83 Cb 1.35 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1ocr h GLU 83 CO 0.49 -0.21 0.00 1.17 -1.00 0.00 0.00 179.01 179.46