#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ror s SER 2 N 0.00 -0.46 0.34 1.61 1.04 -1.26 -5.19 113.70 109.78 2ror s SER 2 Ca 0.00 0.35 -0.18 0.00 0.48 0.00 0.00 55.95 56.60 2ror s SER 2 Cb 0.00 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.58 2ror s SER 2 CO 0.00 -0.54 0.79 -0.44 0.98 0.00 0.00 173.24 174.03 2ror s SER 3 N -1.63 -0.07 -0.01 7.02 0.01 -1.26 -5.19 113.70 112.59 2ror s SER 3 Ca -0.02 -0.97 -0.09 0.00 1.31 0.00 0.00 55.95 56.18 2ror s SER 3 Cb -0.01 0.79 0.01 0.00 0.21 0.00 0.00 66.02 67.02 2ror s SER 3 CO -0.00 -1.55 0.18 -0.83 0.41 0.00 0.00 173.24 171.45 2ror s GLY 4 N -3.05 -0.01 0.10 3.44 0.00 -1.26 -5.17 107.32 101.37 2ror s GLY 4 Ca 0.15 0.01 0.01 0.00 0.00 0.00 0.00 44.72 44.88 2ror s GLY 4 CO 0.10 -0.14 -0.03 -1.35 0.00 0.00 0.00 173.10 171.67 2ror s SER 5 N -1.29 0.85 -0.23 1.64 1.04 -1.26 -5.14 113.70 109.31 2ror s SER 5 Ca -0.14 -1.05 0.02 0.00 0.48 0.00 0.00 55.95 55.26 2ror s SER 5 Cb -0.07 0.16 0.05 0.00 0.10 0.00 0.00 66.02 66.25 2ror s SER 5 CO 0.02 -0.55 -0.13 -0.94 0.98 0.00 0.00 173.24 172.62 2ror s SER 6 N -3.02 3.86 0.84 7.02 1.04 -1.26 -5.12 113.70 117.06 2ror s SER 6 Ca 0.14 -1.09 -0.08 0.00 0.48 0.00 0.00 55.95 55.40 2ror s SER 6 Cb 0.06 -1.45 0.17 0.00 0.10 0.00 0.00 66.02 64.90 2ror s SER 6 CO -0.04 -0.13 1.15 -0.83 0.98 0.00 0.00 173.24 174.37 2ror s GLY 7 N 1.22 1.77 -0.29 7.32 0.00 -1.26 -5.04 107.32 111.05 2ror s GLY 7 Ca -0.04 -1.54 0.17 0.00 0.00 0.00 0.00 44.72 43.32 2ror s GLY 7 CO -0.08 -0.86 1.11 0.28 0.00 0.00 0.00 173.10 173.56 2ror n LYS 8 N -3.28 2.24 -3.15 2.90 5.02 -1.26 -5.00 118.16 115.63 2ror n LYS 8 Ca 0.16 -3.70 0.05 0.00 -2.02 0.00 0.00 58.31 52.79 2ror n LYS 8 Cb 0.60 -1.77 -0.01 0.00 -0.02 0.00 0.00 35.03 33.83 2ror n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ror s ALA 9 N -3.66 -3.51 -0.34 7.82 0.00 -1.26 -5.14 121.76 115.67 2ror s ALA 9 Ca 0.34 1.40 -0.12 0.00 0.00 0.00 0.00 51.96 53.58 2ror s ALA 9 Cb 0.36 -2.61 -0.01 0.00 0.00 0.00 0.00 23.12 20.86 2ror s ALA 9 CO -0.02 -1.72 0.23 -1.21 0.00 0.00 0.00 175.76 173.03 2ror s GLU 10 N 2.94 3.37 -0.28 0.00 0.41 -1.26 -5.03 118.70 118.85 2ror s GLU 10 Ca 0.12 -0.72 -0.26 0.00 -0.41 0.00 0.00 54.97 53.70 2ror s GLU 10 Cb -0.07 -3.77 0.15 0.00 -1.78 0.00 0.00 34.13 28.66 2ror s GLU 10 CO -0.17 -0.48 1.20 0.00 -0.49 0.00 0.00 175.26 175.31 2ror s ALA 11 N 1.69 -2.07 -0.69 5.21 0.00 -1.26 -5.04 121.76 119.60 2ror s ALA 11 Ca 0.05 1.78 -0.02 0.00 0.00 0.00 0.00 51.96 53.77 2ror s ALA 11 Cb -0.18 -1.50 0.44 0.00 0.00 0.00 0.00 23.12 21.88 2ror s ALA 11 CO 0.09 -0.19 2.04 -0.85 0.00 0.00 0.00 175.76 176.85 2ror n GLU 12 N 1.75 2.69 -3.48 0.00 0.00 -1.26 -4.92 120.64 115.41 2ror n GLU 12 Ca -0.11 -3.30 -0.14 0.00 0.00 0.00 0.00 57.16 53.62 2ror n GLU 12 Cb 0.57 -2.28 -0.04 0.00 0.00 0.00 0.00 31.44 29.69 2ror n GLU 12 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 2ror s GLN 13 N -3.84 1.18 -0.00 3.44 -2.07 -1.26 -5.17 119.66 111.93 2ror s GLN 13 Ca 0.63 -0.27 0.06 0.00 -1.82 0.00 0.00 55.36 53.97 2ror s GLN 13 Cb 0.50 0.54 -0.02 0.00 -1.09 0.00 0.00 33.01 32.95 2ror s GLN 13 CO -0.05 -0.47 -0.20 0.54 -1.32 0.00 0.00 175.29 173.79 2ror s ASN 14 N -2.25 2.34 -0.04 12.60 2.20 -1.26 -5.03 114.94 123.51 2ror s ASN 14 Ca -0.03 -0.39 -0.00 0.00 -0.94 0.00 0.00 52.86 51.50 2ror s ASN 14 Cb -0.01 -0.25 -0.02 0.00 -2.00 0.00 0.00 41.25 38.98 2ror s ASN 14 CO -0.06 0.22 -0.04 -2.67 -2.94 0.00 0.00 177.10 171.62 2ror n TRP 15 N 2.42 0.00 -1.69 1.54 4.27 -1.26 -5.02 117.44 117.71 2ror n TRP 15 Ca -0.16 0.00 -0.55 0.00 -3.89 0.00 0.00 57.50 52.91 2ror n TRP 15 Cb 0.53 -0.14 -0.07 0.00 -1.36 0.00 0.00 31.31 30.28 2ror n TRP 15 CO 0.00 0.00 0.00 -2.67 -2.29 0.00 0.00 177.69 172.73 2ror n TRP 16 N -2.71 2.01 -3.55 -2.67 2.14 -1.26 -4.92 117.44 106.47 2ror n TRP 16 Ca -0.07 0.47 -0.28 0.00 2.07 0.00 0.00 57.50 59.69 2ror n TRP 16 Cb 0.56 -2.47 -0.11 0.00 -0.81 0.00 0.00 31.31 28.48 2ror n TRP 16 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 2ror s GLU 17 N 3.02 1.12 -0.95 -2.67 2.02 -1.26 -4.93 118.70 115.05 2ror s GLU 17 Ca 0.95 -2.08 -0.06 0.00 0.02 0.00 0.00 54.97 53.80 2ror s GLU 17 Cb -0.99 -1.88 -0.03 0.00 0.10 0.00 0.00 34.13 31.34 2ror s GLU 17 CO 0.60 -1.28 0.80 0.41 0.02 0.00 0.00 175.26 175.81 2ror n GLY 18 N 3.16 -1.17 3.66 -1.39 0.00 -1.26 -4.90 105.19 103.29 2ror n GLY 18 Ca 0.20 0.53 -0.42 0.00 0.00 0.00 0.00 46.02 46.32 2ror n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ror s PRO 19 N -4.24 4.19 1.22 1.61 0.04 -1.26 -5.01 135.00 131.55 2ror s PRO 19 Ca 0.28 2.00 -0.20 0.00 0.04 0.00 0.00 61.00 63.13 2ror s PRO 19 Cb -0.06 -3.91 0.30 0.00 0.04 0.00 0.00 34.50 30.87 2ror s PRO 19 CO 0.77 -0.81 1.11 -1.25 0.04 0.00 0.00 177.00 176.87 2ror s PRO 20 N 3.87 -1.37 -0.14 0.56 0.04 -1.26 -4.90 135.00 131.80 2ror s PRO 20 Ca 0.67 -0.12 0.01 0.00 0.04 0.00 0.00 61.00 61.60 2ror s PRO 20 Cb -0.29 -1.58 0.16 0.00 0.04 0.00 0.00 34.50 32.82 2ror s PRO 20 CO 0.24 -3.80 1.48 0.94 0.04 0.00 0.00 177.00 175.91 2ror n GLN 21 N -4.81 1.36 -2.37 4.56 7.27 -1.26 -4.69 117.38 117.44 2ror n GLN 21 Ca 0.14 -0.81 -0.34 0.00 0.07 0.00 0.00 57.00 56.07 2ror n GLN 21 Cb 0.60 -1.32 -0.02 0.00 2.41 0.00 0.00 30.24 31.91 2ror n GLN 21 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2ror s ASP 22 N 0.59 6.12 0.60 1.69 1.01 -1.26 -4.88 116.67 120.54 2ror s ASP 22 Ca 0.15 1.93 0.29 0.00 0.71 0.00 0.00 52.55 55.64 2ror s ASP 22 Cb 0.13 -2.56 1.21 0.00 1.01 0.00 0.00 42.92 42.71 2ror s ASP 22 CO 0.02 -0.94 1.56 -0.07 0.21 0.00 0.00 175.17 175.95 2ror h LEU 23 N 1.21 0.00 -0.62 1.23 3.38 -1.94 0.19 115.31 118.76 2ror h LEU 23 Ca -0.49 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.59 2ror h LEU 23 Cb 1.23 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.89 2ror h LEU 23 CO 0.58 0.00 0.17 -1.28 0.09 0.00 0.00 178.44 178.01 2ror h SER 24 N 0.00 0.10 -1.35 -0.43 0.87 -1.89 -0.74 113.55 110.11 2ror h SER 24 Ca 0.42 0.10 0.48 0.00 -1.23 0.00 0.00 61.79 61.56 2ror h SER 24 Cb 2.31 0.12 -0.14 0.00 -0.44 0.00 0.00 62.40 64.24 2ror h SER 24 CO -0.00 0.05 0.85 1.33 -0.53 0.00 0.00 176.83 178.53 2ror n VAL 25 N -5.08 -0.27 -1.96 2.23 0.24 0.66 -4.39 118.33 109.76 2ror n VAL 25 Ca 0.09 1.84 -0.32 0.00 -2.04 0.00 0.00 64.34 63.91 2ror n VAL 25 Cb 0.32 -3.01 0.02 0.00 -1.47 0.00 0.00 33.84 29.70 2ror n VAL 25 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2ror s HIS 26 N -5.28 2.99 -1.87 6.34 4.02 -0.28 -4.90 115.29 116.30 2ror s HIS 26 Ca -0.08 1.50 0.15 0.00 1.02 0.00 0.00 55.06 57.65 2ror s HIS 26 Cb 0.31 -2.99 0.84 0.00 -1.02 0.00 0.00 32.58 29.72 2ror s HIS 26 CO 0.82 -1.15 1.32 1.28 1.02 0.00 0.00 174.74 178.02 2ror n LEU 27 N -2.21 0.00 -3.75 0.89 4.77 -1.26 -4.52 117.00 110.91 2ror n LEU 27 Ca 0.09 0.07 -0.18 0.00 -0.03 0.00 0.00 56.01 55.96 2ror n LEU 27 Cb 0.53 -0.07 -0.17 0.00 -2.33 0.00 0.00 43.42 41.38 2ror n LEU 27 CO 0.48 -0.04 -0.36 -1.66 -1.33 0.00 0.00 177.39 174.49 2ror s TRP 28 N -2.13 0.17 -0.05 -1.77 1.48 -1.26 0.15 118.94 115.52 2ror s TRP 28 Ca 0.20 0.11 -0.16 0.00 -1.06 0.00 0.00 56.10 55.19 2ror s TRP 28 Cb 0.10 -0.41 0.03 0.00 -1.16 0.00 0.00 33.47 32.03 2ror s TRP 28 CO 0.18 -0.15 0.37 -0.47 -4.06 0.00 0.00 176.95 172.81 2ror s TYR 29 N 1.48 -0.29 -0.27 1.66 5.04 -1.26 -4.61 117.35 119.09 2ror s TYR 29 Ca -0.04 0.56 -0.02 0.00 -2.44 0.00 0.00 57.07 55.13 2ror s TYR 29 Cb -0.13 0.14 0.16 0.00 0.35 0.00 0.00 41.96 42.48 2ror s TYR 29 CO -0.03 -0.36 0.47 0.00 -1.34 0.00 0.00 175.55 174.29 2ror s ALA 30 N -0.90 -1.59 1.00 3.97 0.00 0.85 -4.63 121.76 120.46 2ror s ALA 30 Ca -0.10 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.13 2ror s ALA 30 Cb -0.04 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.18 2ror s ALA 30 CO 0.04 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 174.89 2ror n GLY 31 N 5.39 -2.68 0.00 0.00 0.00 -1.26 -3.47 105.19 103.18 2ror n GLY 31 Ca -0.02 -1.16 0.03 0.00 0.00 0.00 0.00 46.02 44.86 2ror n GLY 31 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ror n PRO 32 N 0.00 0.48 -0.85 1.61 -0.04 -1.26 -3.72 135.00 131.23 2ror n PRO 32 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 2ror n PRO 32 Cb 0.00 -1.17 0.01 0.00 -0.04 0.00 0.00 33.50 32.30 2ror n PRO 32 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2ror n MET 33 N -0.67 0.00 -2.27 0.54 1.56 -1.26 -4.91 117.12 110.11 2ror n MET 33 Ca 0.04 0.00 -0.26 0.00 -0.27 0.00 0.00 57.70 57.21 2ror n MET 33 Cb 0.02 -0.72 0.12 0.00 2.15 0.00 0.00 33.22 34.79 2ror n MET 33 CO 0.00 0.00 0.00 -1.83 -0.73 0.00 0.00 175.97 173.41 2ror s GLU 34 N -0.92 1.54 0.08 2.12 -1.05 -1.26 -4.93 118.70 114.28 2ror s GLU 34 Ca 0.38 -0.63 -0.33 0.00 -0.15 0.00 0.00 54.97 54.24 2ror s GLU 34 Cb -0.30 -2.14 -0.16 0.00 -0.44 0.00 0.00 34.13 31.10 2ror s GLU 34 CO 0.51 -1.66 1.51 -0.09 0.95 0.00 0.00 175.26 176.48 2ror h ARG 35 N -0.87 -0.87 -1.18 -4.83 1.12 -2.01 -1.63 114.38 104.12 2ror h ARG 35 Ca -0.41 0.06 0.34 0.00 -1.11 0.00 0.00 59.98 58.86 2ror h ARG 35 Cb 1.27 0.20 -0.10 0.00 -0.01 0.00 0.00 29.97 31.33 2ror h ARG 35 CO 0.46 -0.58 0.78 0.00 -3.11 0.00 0.00 179.97 177.52 2ror h ALA 36 N -0.93 2.58 -0.03 2.80 0.00 -2.00 0.79 119.26 122.47 2ror h ALA 36 Ca -0.05 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2ror h ALA 36 Cb 0.79 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2ror h ALA 36 CO -0.08 -1.05 -0.29 0.78 0.00 0.00 0.00 179.25 178.61 2ror h GLY 37 N 0.22 0.06 0.06 0.00 0.00 -1.67 -2.65 103.07 99.09 2ror h GLY 37 Ca 0.67 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.95 2ror h GLY 37 CO -0.28 0.04 -0.03 0.00 0.00 0.00 0.00 176.54 176.27 2ror h ALA 38 N 1.66 -0.21 -0.98 3.60 0.00 0.94 -3.25 119.26 121.03 2ror h ALA 38 Ca 0.01 -0.02 0.34 0.00 0.00 0.00 0.00 54.91 55.24 2ror h ALA 38 Cb 0.54 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.19 2ror h ALA 38 CO 0.04 -0.20 0.38 0.93 0.00 0.00 0.00 179.25 180.40 2ror h GLU 39 N -0.33 0.09 -0.68 0.00 5.08 -1.56 0.72 114.58 117.90 2ror h GLU 39 Ca -0.01 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.45 2ror h GLU 39 Cb 0.06 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 2ror h GLU 39 CO 0.01 0.06 0.30 1.03 -1.00 0.00 0.00 179.01 179.41 2ror h SER 40 N 0.09 0.35 0.00 1.42 0.87 -1.59 0.41 113.55 115.10 2ror h SER 40 Ca 0.73 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 61.36 2ror h SER 40 Cb 1.75 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.73 2ror h SER 40 CO -0.76 0.20 0.00 -0.38 -0.53 0.00 0.00 176.83 175.35 2ror n ILE 41 N -4.93 0.00 0.10 2.23 5.41 0.25 -0.39 119.36 122.03 2ror n ILE 41 Ca 0.11 1.39 0.06 0.00 1.00 0.00 0.00 62.75 65.30 2ror n ILE 41 Cb 0.29 -2.38 0.31 0.00 -0.71 0.00 0.00 39.64 37.15 2ror n ILE 41 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2ror n LEU 42 N -1.74 0.30 -0.06 1.39 7.99 -1.12 -0.44 117.00 123.31 2ror n LEU 42 Ca 0.00 0.58 -0.06 0.00 -0.01 0.00 0.00 56.01 56.51 2ror n LEU 42 Cb 0.00 -0.59 -0.05 0.00 -0.11 0.00 0.00 43.42 42.68 2ror n LEU 42 CO 0.00 -0.68 -0.01 0.00 -1.51 0.00 0.00 177.39 175.20 2ror h ALA 43 N 1.63 0.03 -0.08 -1.18 0.00 0.17 -3.37 119.26 116.45 2ror h ALA 43 Ca 0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 2ror h ALA 43 Cb 0.24 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2ror h ALA 43 CO 0.00 0.15 -0.51 -0.91 0.00 0.00 0.00 179.25 177.99 2ror h ASN 44 N -1.00 0.23 -3.82 0.00 2.35 -0.01 -3.45 115.58 109.88 2ror h ASN 44 Ca -0.03 -0.11 -0.43 0.00 -0.55 0.00 0.00 56.30 55.17 2ror h ASN 44 Cb 0.47 -0.07 0.17 0.00 0.05 0.00 0.00 38.32 38.94 2ror h ASN 44 CO -0.02 0.70 0.26 -0.13 -1.65 0.00 0.00 177.43 176.59 2ror s ARG 45 N -3.94 -0.13 1.01 0.81 3.00 0.42 -5.01 118.95 115.11 2ror s ARG 45 Ca -0.04 -0.10 -0.13 0.00 0.00 0.00 0.00 55.73 55.47 2ror s ARG 45 Cb 0.13 -1.73 0.14 0.00 0.00 0.00 0.00 34.95 33.49 2ror s ARG 45 CO 0.78 -2.98 0.74 0.43 0.00 0.00 0.00 175.30 174.27 2ror n SER 46 N -4.23 -1.17 -4.66 0.23 7.64 -1.26 -4.90 113.62 105.26 2ror n SER 46 Ca 0.12 0.21 -0.43 0.00 1.01 0.00 0.00 58.87 59.78 2ror n SER 46 Cb 0.59 -1.28 -0.02 0.00 -1.01 0.00 0.00 64.21 62.49 2ror n SER 46 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2ror s ASP 47 N -2.29 6.97 0.00 6.43 -4.77 -1.26 -3.17 116.67 118.58 2ror s ASP 47 Ca 0.63 1.67 0.00 0.00 -3.30 0.00 0.00 52.55 51.55 2ror s ASP 47 Cb -0.21 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.08 2ror s ASP 47 CO 0.63 -0.73 0.00 0.61 0.70 0.00 0.00 175.17 176.38 2ror n GLY 48 N 3.55 1.11 3.74 2.12 0.00 -0.66 -4.93 105.19 110.13 2ror n GLY 48 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2ror n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ror s THR 49 N -2.00 2.87 0.27 2.61 2.01 -1.19 -2.42 115.64 117.79 2ror s THR 49 Ca 0.00 0.33 -0.12 0.00 0.31 0.00 0.00 61.69 62.21 2ror s THR 49 Cb 0.00 -2.74 0.00 0.00 0.01 0.00 0.00 72.50 69.77 2ror s THR 49 CO 0.00 -0.32 0.51 0.72 -0.69 0.00 0.00 174.62 174.84 2ror s PHE 50 N -2.57 0.40 0.13 4.92 -0.71 0.10 -1.65 117.98 118.60 2ror s PHE 50 Ca 0.66 -0.77 -0.24 0.00 -1.04 0.00 0.00 56.93 55.54 2ror s PHE 50 Cb -0.21 0.23 0.08 0.00 -1.21 0.00 0.00 43.02 41.91 2ror s PHE 50 CO 0.51 -1.06 1.09 -0.48 -1.34 0.00 0.00 175.22 173.94 2ror s LEU 51 N -3.04 -0.02 -0.15 -1.99 0.05 -1.04 -2.45 118.68 110.04 2ror s LEU 51 Ca 0.22 -0.52 0.01 0.00 0.05 0.00 0.00 54.13 53.89 2ror s LEU 51 Cb -0.01 1.90 0.02 0.00 -2.05 0.00 0.00 46.19 46.05 2ror s LEU 51 CO 0.10 -0.80 -0.17 -0.69 -0.55 0.00 0.00 176.35 174.24 2ror s VAL 52 N -2.27 1.74 0.02 1.48 1.01 -1.26 -2.86 120.40 118.25 2ror s VAL 52 Ca 0.22 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.51 2ror s VAL 52 Cb -0.02 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 2ror s VAL 52 CO 0.03 0.49 -0.19 0.00 0.00 0.00 0.00 175.10 175.43 2ror s ARG 53 N 1.28 1.37 0.39 2.72 1.70 -0.31 -0.10 118.95 125.99 2ror s ARG 53 Ca 0.02 -0.78 -0.02 0.00 -0.47 0.00 0.00 55.73 54.48 2ror s ARG 53 Cb -0.13 -1.39 -0.04 0.00 -0.57 0.00 0.00 34.95 32.82 2ror s ARG 53 CO -0.09 0.37 0.64 -1.14 -1.08 0.00 0.00 175.30 174.00 2ror s GLN 54 N -0.81 3.53 -0.02 3.89 0.74 -1.23 0.28 119.66 126.04 2ror s GLN 54 Ca 0.06 -0.08 -0.10 0.00 0.05 0.00 0.00 55.36 55.30 2ror s GLN 54 Cb -0.08 -2.55 -0.05 0.00 1.10 0.00 0.00 33.01 31.43 2ror s GLN 54 CO 0.01 0.03 0.29 1.03 -0.55 0.00 0.00 175.29 176.09 2ror s ARG 55 N -4.35 3.67 -0.10 1.67 0.52 -0.31 -4.72 118.95 115.32 2ror s ARG 55 Ca 0.43 0.09 -0.02 0.00 -0.52 0.00 0.00 55.73 55.71 2ror s ARG 55 Cb -0.10 -3.14 -0.26 0.00 0.52 0.00 0.00 34.95 31.97 2ror s ARG 55 CO 0.38 0.69 0.43 1.33 0.02 0.00 0.00 175.30 178.15 2ror n VAL 56 N 1.55 1.75 -0.34 3.52 0.24 -1.26 -4.10 118.33 119.69 2ror n VAL 56 Ca -0.14 -0.69 0.23 0.00 -2.04 0.00 0.00 64.34 61.70 2ror n VAL 56 Cb 0.53 -1.58 0.47 0.00 -1.47 0.00 0.00 33.84 31.79 2ror n VAL 56 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2ror h LYS 57 N 0.06 0.35 -1.75 7.34 1.79 -2.00 -3.38 116.57 118.99 2ror h LYS 57 Ca -0.39 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.07 2ror h LYS 57 Cb 2.03 -0.08 -0.23 0.00 -1.58 0.00 0.00 32.23 32.37 2ror h LYS 57 CO 0.09 0.23 -0.27 0.16 -1.08 0.00 0.00 179.45 178.58 2ror s ASP 58 N -4.95 -0.87 1.10 0.86 1.47 -1.26 -5.16 116.67 107.86 2ror s ASP 58 Ca -0.10 1.05 -0.16 0.00 1.18 0.00 0.00 52.55 54.52 2ror s ASP 58 Cb 0.29 1.92 0.20 0.00 -0.34 0.00 0.00 42.92 45.00 2ror s ASP 58 CO 0.79 -0.25 0.39 0.00 0.68 0.00 0.00 175.17 176.79 2ror n ALA 59 N 5.42 -1.88 -3.41 2.11 0.00 -1.26 -4.13 120.51 117.37 2ror n ALA 59 Ca -0.07 -1.22 -0.17 0.00 0.00 0.00 0.00 53.44 51.98 2ror n ALA 59 Cb 0.50 -1.08 0.09 0.00 0.00 0.00 0.00 19.45 18.96 2ror n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ror n ALA 60 N -4.66 -1.86 -3.58 0.00 0.00 -1.26 -5.01 120.51 104.15 2ror n ALA 60 Ca 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 2ror n ALA 60 Cb 0.43 -2.78 -0.05 0.00 0.00 0.00 0.00 19.45 17.05 2ror n ALA 60 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ror s GLU 61 N -5.45 0.50 0.50 0.00 2.02 -1.26 -4.34 118.70 110.68 2ror s GLU 61 Ca 0.08 1.14 0.05 0.00 0.02 0.00 0.00 54.97 56.25 2ror s GLU 61 Cb -0.04 0.54 -0.00 0.00 0.10 0.00 0.00 34.13 34.73 2ror s GLU 61 CO 0.71 -0.15 0.23 -0.06 0.02 0.00 0.00 175.26 176.01 2ror s PHE 62 N 2.38 1.98 0.15 1.61 0.08 -1.25 -1.17 117.98 121.76 2ror s PHE 62 Ca -0.06 -0.80 -0.17 0.00 0.12 0.00 0.00 56.93 56.02 2ror s PHE 62 Cb -0.08 -1.85 0.04 0.00 -0.57 0.00 0.00 43.02 40.55 2ror s PHE 62 CO -0.18 -0.09 0.45 0.00 -0.10 0.00 0.00 175.22 175.29 2ror s ALA 63 N -2.75 -0.97 -0.24 5.36 0.00 0.14 0.37 121.76 123.68 2ror s ALA 63 Ca 0.28 -0.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.18 2ror s ALA 63 Cb 0.01 0.76 0.07 0.00 0.00 0.00 0.00 23.12 23.95 2ror s ALA 63 CO 0.17 -0.70 -0.00 0.42 0.00 0.00 0.00 175.76 175.65 2ror s ILE 64 N -3.82 1.20 -0.23 0.00 1.01 -0.92 -1.17 121.20 117.27 2ror s ILE 64 Ca 0.05 -1.11 -0.09 0.00 0.00 0.00 0.00 60.65 59.49 2ror s ILE 64 Cb 0.01 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.83 2ror s ILE 64 CO -0.09 -0.23 0.13 -0.44 0.00 0.00 0.00 174.94 174.30 2ror s SER 65 N 1.53 5.91 0.03 3.58 0.01 -1.14 -2.61 113.70 121.02 2ror s SER 65 Ca -0.02 0.07 0.04 0.00 1.31 0.00 0.00 55.95 57.36 2ror s SER 65 Cb -0.18 -2.06 -0.02 0.00 0.21 0.00 0.00 66.02 63.97 2ror s SER 65 CO -0.09 0.08 -0.11 -0.51 0.41 0.00 0.00 173.24 173.02 2ror s ILE 66 N 0.95 0.89 -0.17 1.44 -1.16 -0.23 -2.50 121.20 120.42 2ror s ILE 66 Ca 0.06 -0.90 -0.18 0.00 -0.51 0.00 0.00 60.65 59.12 2ror s ILE 66 Cb -0.13 -0.83 -0.04 0.00 0.61 0.00 0.00 42.46 42.07 2ror s ILE 66 CO 0.03 -0.06 0.50 -0.75 -2.81 0.00 0.00 174.94 171.86 2ror s LYS 67 N -1.07 4.25 -0.24 3.50 2.47 -0.66 0.10 119.74 128.09 2ror s LYS 67 Ca -0.01 0.43 -0.27 0.00 -1.56 0.00 0.00 55.97 54.56 2ror s LYS 67 Cb -0.07 -3.51 0.13 0.00 -1.46 0.00 0.00 37.83 32.92 2ror s LYS 67 CO 0.01 -0.03 1.08 -0.47 0.16 0.00 0.00 175.35 176.10 2ror s TYR 68 N 1.26 -0.37 -0.79 4.03 5.04 0.67 -1.65 117.35 125.54 2ror s TYR 68 Ca 0.25 0.81 -0.01 0.00 -2.44 0.00 0.00 57.07 55.68 2ror s TYR 68 Cb -0.15 0.41 -0.01 0.00 0.35 0.00 0.00 41.96 42.56 2ror s TYR 68 CO 0.10 -0.24 0.66 -1.71 -1.34 0.00 0.00 175.55 173.03 2ror n ASN 69 N 1.56 -2.84 -1.86 4.32 4.05 -1.26 -2.59 115.26 116.64 2ror n ASN 69 Ca -0.11 -0.44 -0.06 0.00 0.45 0.00 0.00 54.58 54.42 2ror n ASN 69 Cb 0.57 -3.66 -0.01 0.00 1.23 0.00 0.00 39.78 37.90 2ror n ASN 69 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 2ror n VAL 70 N -3.01 -0.15 -3.58 3.44 0.24 -1.26 -4.85 118.33 109.16 2ror n VAL 70 Ca -0.16 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 61.99 2ror n VAL 70 Cb 0.61 -0.75 -0.06 0.00 -1.47 0.00 0.00 33.84 32.17 2ror n VAL 70 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2ror s GLU 71 N -3.83 0.99 -0.24 7.34 0.41 -1.07 -5.15 118.70 117.16 2ror s GLU 71 Ca 0.00 -0.03 -0.13 0.00 -0.41 0.00 0.00 54.97 54.40 2ror s GLU 71 Cb 0.00 0.46 -0.04 0.00 -1.78 0.00 0.00 34.13 32.76 2ror s GLU 71 CO 0.00 -0.33 0.28 0.08 -0.49 0.00 0.00 175.26 174.80 2ror s VAL 72 N -1.79 5.26 0.23 2.63 1.01 -1.26 -0.24 120.40 126.24 2ror s VAL 72 Ca -0.09 0.43 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 2ror s VAL 72 Cb -0.01 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2ror s VAL 72 CO 0.04 0.26 0.43 -0.54 0.00 0.00 0.00 175.10 175.28 2ror s LYS 73 N 1.47 3.53 -0.04 2.72 -0.14 0.11 -4.93 119.74 122.48 2ror s LYS 73 Ca 0.13 -0.29 -0.03 0.00 -1.36 0.00 0.00 55.97 54.41 2ror s LYS 73 Cb -0.15 -2.80 0.01 0.00 -1.68 0.00 0.00 37.83 33.22 2ror s LYS 73 CO 0.08 0.36 0.09 -1.01 -0.76 0.00 0.00 175.35 174.11 2ror s HIS 74 N -1.93 -0.10 0.00 3.18 3.76 -1.26 -1.07 115.29 117.86 2ror s HIS 74 Ca 0.39 0.26 0.06 0.00 -0.15 0.00 0.00 55.06 55.61 2ror s HIS 74 Cb -0.11 0.03 -0.02 0.00 1.11 0.00 0.00 32.58 33.60 2ror s HIS 74 CO 0.30 -0.05 -0.17 0.42 -0.85 0.00 0.00 174.74 174.38 2ror s ILE 75 N 0.08 1.37 -0.06 0.60 1.01 -1.07 -4.98 121.20 118.15 2ror s ILE 75 Ca -0.00 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 59.69 2ror s ILE 75 Cb -0.01 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.25 2ror s ILE 75 CO -0.00 0.32 0.35 -0.75 0.00 0.00 0.00 174.94 174.85 2ror s LYS 76 N -0.59 3.92 -0.09 2.79 2.20 -1.26 -2.16 119.74 124.54 2ror s LYS 76 Ca 0.06 0.27 -0.02 0.00 -0.36 0.00 0.00 55.97 55.93 2ror s LYS 76 Cb -0.07 -3.27 -0.03 0.00 -1.51 0.00 0.00 37.83 32.95 2ror s LYS 76 CO -0.00 0.59 -0.02 0.42 -0.36 0.00 0.00 175.35 175.98 2ror s ILE 77 N -0.68 4.11 0.04 5.43 1.01 0.16 -4.81 121.20 126.45 2ror s ILE 77 Ca 0.21 -0.32 0.04 0.00 0.00 0.00 0.00 60.65 60.59 2ror s ILE 77 Cb -0.15 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 2ror s ILE 77 CO 0.10 0.58 -0.07 -0.04 0.00 0.00 0.00 174.94 175.52 2ror s MET 78 N -0.65 2.46 -0.02 2.79 -1.94 -1.25 -3.74 119.30 116.95 2ror s MET 78 Ca 0.10 -0.80 -0.02 0.00 -1.71 0.00 0.00 55.69 53.26 2ror s MET 78 Cb -0.12 -2.46 0.01 0.00 2.01 0.00 0.00 34.83 34.27 2ror s MET 78 CO 0.02 0.57 0.06 0.95 -0.01 0.00 0.00 175.02 176.62 2ror s THR 79 N -1.08 -0.00 0.00 2.05 -4.23 -1.26 -3.23 115.64 107.90 2ror s THR 79 Ca 0.19 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 2ror s THR 79 Cb -0.11 -0.09 0.00 0.00 1.34 0.00 0.00 72.50 73.63 2ror s THR 79 CO 0.10 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.18 2ror n ALA 80 N 3.05 2.87 -2.13 3.99 0.00 -1.25 -4.89 120.51 122.14 2ror n ALA 80 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.99 2ror n ALA 80 Cb 0.60 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.07 2ror n ALA 80 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ror n GLU 81 N -2.30 3.09 -1.68 0.00 -0.58 -1.26 -4.81 120.64 113.10 2ror n GLU 81 Ca 0.00 -3.97 -0.03 0.00 -0.42 0.00 0.00 57.16 52.74 2ror n GLU 81 Cb 0.00 -2.26 -0.01 0.00 -0.57 0.00 0.00 31.44 28.60 2ror n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ror n GLY 82 N -0.55 0.39 3.45 0.62 0.00 -1.26 -5.05 105.19 102.79 2ror n GLY 82 Ca 0.47 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 2ror n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ror s LEU 83 N -0.75 2.56 -0.13 0.99 1.43 -1.26 -4.64 118.68 116.87 2ror s LEU 83 Ca 0.00 -0.65 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 2ror s LEU 83 Cb 0.00 -1.41 0.01 0.00 0.03 0.00 0.00 46.19 44.82 2ror s LEU 83 CO 0.00 0.17 -0.19 -0.31 0.23 0.00 0.00 176.35 176.25 2ror s TYR 84 N -1.17 2.42 -0.27 0.29 1.51 -1.19 -3.87 117.35 115.07 2ror s TYR 84 Ca 0.17 -1.21 -0.15 0.00 -1.01 0.00 0.00 57.07 54.87 2ror s TYR 84 Cb -0.10 -1.68 0.08 0.00 -0.11 0.00 0.00 41.96 40.15 2ror s TYR 84 CO 0.09 -0.57 0.66 -0.98 -1.11 0.00 0.00 175.55 173.63 2ror s ARG 85 N 0.90 0.67 0.00 -0.62 1.70 -1.20 -1.18 118.95 119.22 2ror s ARG 85 Ca -0.06 1.18 0.25 0.00 -0.47 0.00 0.00 55.73 56.63 2ror s ARG 85 Cb -0.15 0.13 0.59 0.00 -0.57 0.00 0.00 34.95 34.95 2ror s ARG 85 CO -0.02 -0.15 1.48 0.44 -1.08 0.00 0.00 175.30 175.96 2ror n ILE 86 N 4.32 0.00 -4.01 4.99 -6.64 -1.26 -3.83 119.36 112.93 2ror n ILE 86 Ca -0.20 -0.00 -0.09 0.00 -1.77 0.00 0.00 62.75 60.68 2ror n ILE 86 Cb 0.58 0.17 -0.08 0.00 -1.44 0.00 0.00 39.64 38.87 2ror n ILE 86 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 2ror s THR 87 N -2.99 0.10 0.07 7.28 -4.23 -1.25 -5.01 115.64 109.62 2ror s THR 87 Ca 0.12 -1.55 -0.06 0.00 -1.18 0.00 0.00 61.69 59.02 2ror s THR 87 Cb 0.18 -1.80 -0.28 0.00 1.34 0.00 0.00 72.50 71.93 2ror s THR 87 CO 0.68 -0.46 1.14 1.05 -0.54 0.00 0.00 174.62 176.48 2ror h GLU 88 N 2.73 0.32 0.08 3.99 4.11 -2.04 -3.34 114.58 120.43 2ror h GLU 88 Ca -0.33 -0.53 -0.00 0.00 0.07 0.00 0.00 59.36 58.56 2ror h GLU 88 Cb 1.21 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.65 2ror h GLU 88 CO 0.54 1.24 -0.04 0.87 0.07 0.00 0.00 179.01 181.70 2ror h LYS 89 N 0.10 -0.10 -5.38 1.06 1.57 -2.02 -3.42 116.57 108.38 2ror h LYS 89 Ca -0.15 0.01 -0.64 0.00 -1.87 0.00 0.00 60.65 58.00 2ror h LYS 89 Cb 1.96 0.02 -0.20 0.00 0.08 0.00 0.00 32.23 34.10 2ror h LYS 89 CO 0.21 0.13 -0.64 0.21 -0.57 0.00 0.00 179.45 178.79 2ror s LYS 90 N -5.29 3.65 0.11 3.15 2.36 -1.25 -5.11 119.74 117.36 2ror s LYS 90 Ca -0.14 -0.48 0.01 0.00 -2.55 0.00 0.00 55.97 52.81 2ror s LYS 90 Cb 0.04 -2.95 -0.04 0.00 -1.05 0.00 0.00 37.83 33.83 2ror s LYS 90 CO 0.65 0.30 -0.03 0.00 1.55 0.00 0.00 175.35 177.82 2ror s ALA 91 N 0.21 1.00 0.32 3.13 0.00 -1.26 -3.79 121.76 121.37 2ror s ALA 91 Ca -0.01 -1.41 0.03 0.00 0.00 0.00 0.00 51.96 50.57 2ror s ALA 91 Cb -0.13 0.35 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 2ror s ALA 91 CO 0.02 -0.30 0.09 -0.06 0.00 0.00 0.00 175.76 175.52 2ror s PHE 92 N -3.71 1.78 -0.18 0.00 0.40 -0.32 -5.00 117.98 110.94 2ror s PHE 92 Ca 0.16 -1.12 -0.00 0.00 -0.60 0.00 0.00 56.93 55.36 2ror s PHE 92 Cb 0.06 -1.11 -0.22 0.00 0.51 0.00 0.00 43.02 42.26 2ror s PHE 92 CO -0.03 -0.20 0.12 0.54 0.70 0.00 0.00 175.22 176.36 2ror n ARG 93 N -0.66 0.70 -4.15 0.44 1.74 -1.26 -3.20 116.66 110.27 2ror n ARG 93 Ca -0.02 0.20 -0.10 0.00 -0.77 0.00 0.00 57.85 57.16 2ror n ARG 93 Cb 0.66 -1.62 -0.10 0.00 -1.02 0.00 0.00 32.46 30.38 2ror n ARG 93 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ror s GLY 94 N -5.93 0.94 0.11 -0.13 0.00 -1.26 -4.22 107.32 96.82 2ror s GLY 94 Ca -0.25 -1.45 -0.22 0.00 0.00 0.00 0.00 44.72 42.80 2ror s GLY 94 CO 0.71 -1.38 1.73 -2.00 0.00 0.00 0.00 173.10 172.16 2ror h LEU 95 N 2.89 -0.03 -0.16 0.66 5.85 -1.92 -2.67 115.31 119.93 2ror h LEU 95 Ca -0.35 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.41 2ror h LEU 95 Cb 1.19 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 2ror h LEU 95 CO 0.61 -0.00 -0.23 0.74 -0.34 0.00 0.00 178.44 179.21 2ror h THR 96 N 0.03 0.00 -0.71 1.05 2.02 -1.99 -1.55 112.91 111.76 2ror h THR 96 Ca 0.04 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.35 2ror h THR 96 Cb 0.04 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.32 2ror h THR 96 CO -0.06 0.00 -0.30 -0.33 0.37 0.00 0.00 175.52 175.20 2ror h GLU 97 N -0.17 -0.08 -0.85 6.66 3.07 -1.96 0.99 114.58 122.24 2ror h GLU 97 Ca 0.03 0.01 0.25 0.00 -0.50 0.00 0.00 59.36 59.14 2ror h GLU 97 Cb 0.25 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 2ror h GLU 97 CO -0.24 -0.06 0.66 1.25 -1.40 0.00 0.00 179.01 179.23 2ror h LEU 98 N -0.09 0.00 0.02 1.33 6.46 -0.98 0.18 115.31 122.24 2ror h LEU 98 Ca 0.29 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.85 2ror h LEU 98 Cb 0.56 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 2ror h LEU 98 CO -0.76 0.00 -1.08 0.58 -0.62 0.00 0.00 178.44 176.56 2ror h VAL 99 N 0.00 1.08 0.00 1.05 2.07 0.18 -3.20 116.25 117.42 2ror h VAL 99 Ca 0.40 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.68 2ror h VAL 99 Cb 1.73 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 34.01 2ror h VAL 99 CO -0.00 0.44 0.00 -0.62 0.02 0.00 0.00 177.57 177.41 2ror n GLU 100 N -4.36 0.13 -0.11 1.57 1.02 0.84 -2.53 120.64 117.20 2ror n GLU 100 Ca -0.27 0.19 -0.25 0.00 -0.02 0.00 0.00 57.16 56.81 2ror n GLU 100 Cb 0.69 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.50 2ror n GLU 100 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2ror n PHE 101 N -1.26 0.53 -0.33 -0.32 7.35 0.54 -4.37 117.46 119.60 2ror n PHE 101 Ca 0.04 0.21 0.09 0.00 -0.76 0.00 0.00 57.45 57.04 2ror n PHE 101 Cb 0.06 -1.06 0.29 0.00 0.35 0.00 0.00 39.48 39.13 2ror n PHE 101 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 2ror h TYR 102 N -0.88 1.03 -0.10 -5.13 0.05 -1.48 0.16 116.97 110.62 2ror h TYR 102 Ca -0.53 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.31 2ror h TYR 102 Cb 1.52 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 38.93 2ror h TYR 102 CO 0.01 0.38 0.45 1.96 -1.05 0.00 0.00 178.16 179.92 2ror h GLN 103 N 0.88 0.00 0.00 4.88 4.20 -1.73 0.28 115.11 123.61 2ror h GLN 103 Ca 0.49 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 59.03 2ror h GLN 103 Cb 0.60 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 2ror h GLN 103 CO -0.26 0.00 -1.73 1.04 -0.67 0.00 0.00 178.83 177.22 2ror n GLN 104 N -3.00 1.85 -3.81 1.46 3.00 0.40 -4.86 117.38 112.43 2ror n GLN 104 Ca 0.01 -0.02 -0.37 0.00 -0.01 0.00 0.00 57.00 56.60 2ror n GLN 104 Cb 0.52 -1.29 -0.13 0.00 0.00 0.00 0.00 30.24 29.35 2ror n GLN 104 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2ror s ASN 105 N -4.19 5.04 0.38 1.08 0.01 0.09 -5.08 114.94 112.26 2ror s ASN 105 Ca -0.05 -1.00 -0.27 0.00 -0.71 0.00 0.00 52.86 50.83 2ror s ASN 105 Cb 0.04 -1.81 -0.11 0.00 0.41 0.00 0.00 41.25 39.77 2ror s ASN 105 CO 0.46 -0.25 1.23 -0.24 -1.51 0.00 0.00 177.10 176.79 2ror n SER 106 N 4.77 2.39 0.08 -1.22 2.88 -1.25 -4.44 113.62 116.83 2ror n SER 106 Ca -0.14 1.15 0.09 0.00 -1.33 0.00 0.00 58.87 58.64 2ror n SER 106 Cb 0.46 -1.46 0.39 0.00 -0.75 0.00 0.00 64.21 62.85 2ror n SER 106 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2ror n LEU 107 N 0.56 0.37 0.19 2.46 4.32 -1.24 -1.94 117.00 121.72 2ror n LEU 107 Ca 0.06 0.62 0.14 0.00 -0.02 0.00 0.00 56.01 56.81 2ror n LEU 107 Cb 0.37 -0.60 0.61 0.00 -1.62 0.00 0.00 43.42 42.19 2ror n LEU 107 CO 0.60 -0.55 0.91 0.07 -1.22 0.00 0.00 177.39 177.20 2ror h LYS 108 N 0.00 0.00 -0.42 3.23 2.10 -1.20 0.28 116.57 120.57 2ror h LYS 108 Ca 0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 2ror h LYS 108 Cb 0.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.53 2ror h LYS 108 CO 0.00 0.00 -0.28 0.22 -2.00 0.00 0.00 179.45 177.39 2ror h ASP 109 N 0.00 0.97 0.00 7.07 3.58 -1.68 -3.35 116.42 123.01 2ror h ASP 109 Ca 0.00 -0.43 -0.41 0.00 0.42 0.00 0.00 57.03 56.62 2ror h ASP 109 Cb 0.30 -0.27 -0.07 0.00 1.72 0.00 0.00 39.33 41.01 2ror h ASP 109 CO 0.00 1.19 -2.47 0.00 -2.88 0.00 0.00 179.24 175.08 2ror s PHE 111 N -2.52 2.80 -0.04 0.00 0.40 0.96 -5.04 117.98 114.54 2ror s PHE 111 Ca -0.35 -0.42 0.03 0.00 -0.60 0.00 0.00 56.93 55.59 2ror s PHE 111 Cb 0.10 -2.33 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 2ror s PHE 111 CO 0.58 -0.35 0.07 0.36 0.70 0.00 0.00 175.22 176.58 2ror n LYS 112 N -1.79 1.74 0.04 0.44 0.00 -1.26 -4.09 118.16 113.25 2ror n LYS 112 Ca 0.07 -0.02 -0.16 0.00 -0.00 0.00 0.00 58.31 58.20 2ror n LYS 112 Cb 0.60 -0.94 -0.14 0.00 -0.00 0.00 0.00 35.03 34.54 2ror n LYS 112 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2ror h SER 113 N 0.00 0.34 -3.06 -5.58 0.87 -1.95 -3.43 113.55 100.75 2ror h SER 113 Ca 0.00 -0.54 -0.69 0.00 -1.23 0.00 0.00 61.79 59.33 2ror h SER 113 Cb 0.11 -0.11 -0.19 0.00 -0.44 0.00 0.00 62.40 61.77 2ror h SER 113 CO 0.00 1.46 0.11 -0.76 -0.53 0.00 0.00 176.83 177.11 2ror s LEU 114 N -6.88 5.12 -0.39 2.23 1.43 -1.26 -4.89 118.68 114.04 2ror s LEU 114 Ca -0.11 -1.15 0.07 0.00 -1.03 0.00 0.00 54.13 51.91 2ror s LEU 114 Cb 0.07 -2.38 0.71 0.00 0.03 0.00 0.00 46.19 44.61 2ror s LEU 114 CO 0.84 -1.02 1.87 0.47 0.23 0.00 0.00 176.35 178.73 2ror n ASP 115 N 6.33 4.27 -3.83 2.29 8.00 -1.26 -0.96 116.55 131.39 2ror n ASP 115 Ca -0.08 -3.43 -0.11 0.00 0.71 0.00 0.00 54.79 51.89 2ror n ASP 115 Cb 0.44 -0.79 -0.08 0.00 -0.02 0.00 0.00 41.12 40.66 2ror n ASP 115 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2ror s THR 116 N -3.16 0.11 0.26 -3.53 -1.32 -1.26 -4.84 115.64 101.89 2ror s THR 116 Ca 0.56 -0.87 0.09 0.00 -1.21 0.00 0.00 61.69 60.27 2ror s THR 116 Cb 0.46 -0.93 -0.04 0.00 -1.51 0.00 0.00 72.50 70.48 2ror s THR 116 CO 0.12 -0.48 0.02 0.28 -2.21 0.00 0.00 174.62 172.35 2ror s THR 117 N -2.62 3.57 -0.73 5.08 -1.32 -1.26 -3.60 115.64 114.76 2ror s THR 117 Ca -0.05 -1.84 -0.37 0.00 -1.21 0.00 0.00 61.69 58.22 2ror s THR 117 Cb -0.01 -2.91 -0.20 0.00 -1.51 0.00 0.00 72.50 67.88 2ror s THR 117 CO -0.04 -0.36 2.36 0.18 -2.21 0.00 0.00 174.62 174.55 2ror n LEU 118 N -0.90 0.52 -0.08 9.08 4.77 -1.26 -4.79 117.00 124.34 2ror n LEU 118 Ca -0.07 0.43 -0.19 0.00 -0.03 0.00 0.00 56.01 56.15 2ror n LEU 118 Cb 0.59 -0.89 -0.12 0.00 -2.33 0.00 0.00 43.42 40.66 2ror n LEU 118 CO 0.41 -0.73 -0.15 1.56 -1.33 0.00 0.00 177.39 177.14 2ror h GLN 119 N 10.25 0.03 -3.18 3.23 4.20 -1.82 -3.42 115.11 124.40 2ror h GLN 119 Ca -0.07 -0.05 -0.20 0.00 0.06 0.00 0.00 58.65 58.38 2ror h GLN 119 Cb 1.34 0.02 -0.29 0.00 0.30 0.00 0.00 27.48 28.85 2ror h GLN 119 CO 1.21 1.02 -0.52 -0.06 -0.67 0.00 0.00 178.83 179.82 2ror s PHE 120 N -2.32 -0.24 0.00 2.96 0.08 -1.12 -4.93 117.98 112.41 2ror s PHE 120 Ca -0.24 0.59 0.00 0.00 0.12 0.00 0.00 56.93 57.41 2ror s PHE 120 Cb 0.02 0.02 0.00 0.00 -0.57 0.00 0.00 43.02 42.49 2ror s PHE 120 CO 0.65 -0.16 0.00 -0.35 -0.10 0.00 0.00 175.22 175.26 2ror n PRO 121 N 3.74 0.18 -0.08 0.24 -0.04 -1.26 0.00 135.00 137.78 2ror n PRO 121 Ca -0.21 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.09 2ror n PRO 121 Cb 0.55 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.90 2ror n PRO 121 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2ror h PHE 122 N -0.92 0.00 0.02 0.54 3.04 -1.26 -3.38 116.94 114.99 2ror h PHE 122 Ca 0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 2ror h PHE 122 Cb 0.00 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.51 2ror h PHE 122 CO 0.00 1.08 -0.02 0.87 -2.02 0.00 0.00 178.31 178.23 2ror h LYS 123 N -1.00 -0.03 -1.52 1.11 1.79 -0.64 -3.48 116.57 112.79 2ror h LYS 123 Ca -0.15 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.49 2ror h LYS 123 Cb 1.03 0.01 -0.22 0.00 -1.58 0.00 0.00 32.23 31.47 2ror h LYS 123 CO -0.09 -0.02 0.69 -1.83 -1.08 0.00 0.00 179.45 177.12 2ror s GLU 124 N -3.09 0.43 0.21 3.15 -1.05 -1.26 -5.11 118.70 111.99 2ror s GLU 124 Ca -0.01 -0.00 -0.30 0.00 -0.15 0.00 0.00 54.97 54.51 2ror s GLU 124 Cb 0.00 0.20 -0.09 0.00 -0.44 0.00 0.00 34.13 33.81 2ror s GLU 124 CO 0.02 -0.16 1.30 -1.25 0.95 0.00 0.00 175.26 176.12 2ror s PRO 125 N -1.66 4.40 0.07 -4.83 0.04 -1.26 -4.53 135.00 127.24 2ror s PRO 125 Ca 0.04 2.05 -0.23 0.00 0.04 0.00 0.00 61.00 62.90 2ror s PRO 125 Cb -0.01 -3.19 0.06 0.00 0.04 0.00 0.00 34.50 31.40 2ror s PRO 125 CO -0.03 -0.23 0.54 -1.21 0.04 0.00 0.00 177.00 176.11 2ror s GLU 126 N -0.29 1.10 -0.04 4.56 2.02 -1.26 -5.07 118.70 119.72 2ror s GLU 126 Ca 0.55 -0.30 0.04 0.00 0.02 0.00 0.00 54.97 55.28 2ror s GLU 126 Cb -0.36 0.51 0.00 0.00 0.10 0.00 0.00 34.13 34.37 2ror s GLU 126 CO 0.39 -0.42 -0.14 0.15 0.02 0.00 0.00 175.26 175.26 2ror s LYS 127 N -2.80 1.55 0.18 1.61 3.01 -1.26 -5.08 119.74 116.95 2ror s LYS 127 Ca -0.03 -0.51 -0.23 0.00 -1.01 0.00 0.00 55.97 54.19 2ror s LYS 127 Cb -0.00 -1.36 0.06 0.00 -1.01 0.00 0.00 37.83 35.52 2ror s LYS 127 CO -0.05 0.19 0.67 0.50 0.51 0.00 0.00 175.35 177.17 2ror s ARG 128 N 0.14 1.37 -0.03 1.68 3.52 -1.26 -5.09 118.95 119.28 2ror s ARG 128 Ca -0.05 -0.60 -0.03 0.00 -0.13 0.00 0.00 55.73 54.92 2ror s ARG 128 Cb -0.11 0.57 -0.02 0.00 -1.56 0.00 0.00 34.95 33.82 2ror s ARG 128 CO 0.02 -0.61 -0.08 0.25 -0.81 0.00 0.00 175.30 174.07 2ror n THR 129 N -0.39 0.63 -2.68 4.11 -2.24 -1.26 -5.02 114.28 107.43 2ror n THR 129 Ca -0.12 0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 2ror n THR 129 Cb 0.63 -1.64 -0.04 0.00 -2.10 0.00 0.00 70.33 67.19 2ror n THR 129 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2ror s ILE 130 N -2.14 4.61 0.00 2.28 1.01 -1.26 -5.05 121.20 120.65 2ror s ILE 130 Ca -0.08 1.99 -0.03 0.00 0.00 0.00 0.00 60.65 62.52 2ror s ILE 130 Cb 0.03 -4.27 -0.00 0.00 0.01 0.00 0.00 42.46 38.22 2ror s ILE 130 CO 0.11 0.22 0.06 -0.94 0.00 0.00 0.00 174.94 174.39 2ror s SER 131 N 0.59 0.08 0.58 3.58 1.04 -1.26 -5.14 113.70 113.17 2ror s SER 131 Ca 0.51 -0.22 -0.18 0.00 0.48 0.00 0.00 55.95 56.53 2ror s SER 131 Cb -0.23 0.16 -0.11 0.00 0.10 0.00 0.00 66.02 65.93 2ror s SER 131 CO 0.29 -0.26 0.16 0.54 0.98 0.00 0.00 173.24 174.95 2ror n ARG 132 N 1.89 0.23 -0.05 4.02 1.74 -1.26 -4.95 116.66 118.28 2ror n ARG 132 Ca -0.21 0.09 -0.11 0.00 -0.77 0.00 0.00 57.85 56.85 2ror n ARG 132 Cb 0.56 -1.36 -0.04 0.00 -1.02 0.00 0.00 32.46 30.60 2ror n ARG 132 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2ror n SER 133 N 1.47 1.04 -2.36 0.55 3.41 -1.26 -5.10 113.62 111.37 2ror n SER 133 Ca 0.09 0.11 -0.04 0.00 -0.26 0.00 0.00 58.87 58.77 2ror n SER 133 Cb 0.48 -0.30 0.01 0.00 -0.26 0.00 0.00 64.21 64.13 2ror n SER 133 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ror n GLY 134 N 2.39 -1.49 0.00 5.00 0.00 -1.26 -4.87 105.19 104.97 2ror n GLY 134 Ca -0.21 0.70 0.08 0.00 0.00 0.00 0.00 46.02 46.59 2ror n GLY 134 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ror n PRO 135 N -0.25 0.46 -1.55 1.61 -0.04 -1.26 -4.73 135.00 129.25 2ror n PRO 135 Ca 0.07 0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 63.23 2ror n PRO 135 Cb 0.25 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 2ror n PRO 135 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ror n SER 136 N -1.02 1.95 -0.27 3.54 2.88 -1.26 -4.79 113.62 114.65 2ror n SER 136 Ca 0.11 -0.71 0.05 0.00 -1.33 0.00 0.00 58.87 57.00 2ror n SER 136 Cb 0.06 -1.53 0.19 0.00 -0.75 0.00 0.00 64.21 62.18 2ror n SER 136 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2ror h SER 137 N 17.21 0.38 0.00 -3.46 0.02 -2.02 -3.55 113.55 122.13 2ror h SER 137 Ca -0.16 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2ror h SER 137 Cb 1.20 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2ror h SER 137 CO 1.15 0.17 0.00 0.61 -1.14 0.00 0.00 176.83 177.62