#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rra s GLU 2 N 0.00 2.73 0.60 0.00 -1.05 -1.26 -5.02 118.70 114.69 1rra s GLU 2 Ca 0.00 0.12 -0.19 0.00 -0.15 0.00 0.00 54.97 54.76 1rra s GLU 2 Cb 0.00 -2.15 -0.05 0.00 -0.44 0.00 0.00 34.13 31.49 1rra s GLU 2 CO 0.00 -0.95 0.94 0.43 0.95 0.00 0.00 175.26 176.63 1rra n SER 3 N -2.82 0.67 0.15 0.83 7.64 -1.26 -4.84 113.62 113.99 1rra n SER 3 Ca 0.06 0.81 0.13 0.00 1.01 0.00 0.00 58.87 60.88 1rra n SER 3 Cb 0.58 -1.37 0.47 0.00 -1.01 0.00 0.00 64.21 62.88 1rra n SER 3 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1rra h SER 4 N 0.49 0.00 0.39 6.43 0.87 -1.95 -1.88 113.55 117.90 1rra h SER 4 Ca -0.48 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 59.94 1rra h SER 4 Cb 1.37 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.30 1rra h SER 4 CO 0.51 0.00 -1.73 0.00 -0.53 0.00 0.00 176.83 175.07 1rra n ALA 5 N -1.85 2.18 0.04 6.23 0.00 -1.26 -3.67 120.51 122.18 1rra n ALA 5 Ca 0.03 -0.66 -0.20 0.00 0.00 0.00 0.00 53.44 52.61 1rra n ALA 5 Cb 0.32 -0.76 -0.12 0.00 0.00 0.00 0.00 19.45 18.89 1rra n ALA 5 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1rra h ASP 6 N 0.00 0.65 -0.92 0.00 5.19 -1.82 -2.88 116.42 116.64 1rra h ASP 6 Ca -0.17 -0.82 0.11 0.00 -0.62 0.00 0.00 57.03 55.52 1rra h ASP 6 Cb 1.47 -0.20 -0.08 0.00 0.18 0.00 0.00 39.33 40.70 1rra h ASP 6 CO 0.02 1.40 0.56 0.50 -3.12 0.00 0.00 179.24 178.60 1rra h LYS 7 N -0.02 0.88 -0.58 3.56 3.64 -1.53 0.18 116.57 122.70 1rra h LYS 7 Ca -0.13 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.11 1rra h LYS 7 Cb 1.59 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 33.19 1rra h LYS 7 CO 0.17 0.58 0.03 0.35 -2.27 0.00 0.00 179.45 178.31 1rra h PHE 8 N 0.91 1.09 -0.35 1.91 3.04 -1.63 0.19 116.94 122.09 1rra h PHE 8 Ca 0.45 -0.18 -0.08 0.00 3.98 0.00 0.00 57.97 62.14 1rra h PHE 8 Cb 0.41 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 1rra h PHE 8 CO -0.03 0.97 -0.10 0.87 -2.02 0.00 0.00 178.31 177.99 1rra h LYS 9 N 0.90 0.60 -0.06 1.11 1.57 -0.85 0.19 116.57 120.03 1rra h LYS 9 Ca 0.17 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1rra h LYS 9 Cb 0.51 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1rra h LYS 9 CO 0.02 0.69 -0.06 -0.09 -0.57 0.00 0.00 179.45 179.45 1rra h ARG 10 N 0.55 0.14 0.18 3.15 2.43 0.07 -3.10 114.38 117.81 1rra h ARG 10 Ca 0.10 -0.07 -0.30 0.00 -0.81 0.00 0.00 59.98 58.89 1rra h ARG 10 Cb 0.50 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1rra h ARG 10 CO 0.03 0.58 -1.33 1.96 -1.51 0.00 0.00 179.97 179.70 1rra h GLN 11 N -0.29 0.47 -0.04 0.20 4.20 -0.65 -3.42 115.11 115.59 1rra h GLN 11 Ca 0.01 -0.75 0.00 0.00 0.06 0.00 0.00 58.65 57.98 1rra h GLN 11 Cb 0.55 0.27 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1rra h GLN 11 CO 0.01 1.35 0.00 0.72 -0.67 0.00 0.00 178.83 180.24 1rra n HIS 12 N -3.68 0.05 -4.75 2.96 8.25 0.65 -4.77 115.22 113.93 1rra n HIS 12 Ca -0.13 -0.19 -0.33 0.00 -0.26 0.00 0.00 57.72 56.80 1rra n HIS 12 Cb 1.04 -0.02 -0.12 0.00 1.12 0.00 0.00 29.99 32.01 1rra n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1rra s MET 13 N -0.55 2.71 -0.49 -0.41 -1.94 -1.17 -0.88 119.30 116.57 1rra s MET 13 Ca 0.05 -0.62 0.06 0.00 -1.71 0.00 0.00 55.69 53.47 1rra s MET 13 Cb 0.03 -2.51 0.22 0.00 2.01 0.00 0.00 34.83 34.58 1rra s MET 13 CO 0.04 0.60 0.79 -3.47 -0.01 0.00 0.00 175.02 172.97 1rra n ASP 14 N 2.38 -2.72 -0.12 3.03 2.03 -1.14 -4.82 116.55 115.20 1rra n ASP 14 Ca -0.18 -3.10 -0.05 0.00 0.52 0.00 0.00 54.79 51.99 1rra n ASP 14 Cb 0.53 1.50 0.03 0.00 -0.72 0.00 0.00 41.12 42.45 1rra n ASP 14 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1rra h THR 15 N 3.60 0.70 -1.36 5.18 2.02 -1.78 -3.05 112.91 118.22 1rra h THR 15 Ca -0.05 -0.03 -0.66 0.00 0.77 0.00 0.00 66.41 66.44 1rra h THR 15 Cb 1.04 0.59 -0.35 0.00 -1.74 0.00 0.00 68.15 67.69 1rra h THR 15 CO 0.24 0.02 0.19 -1.84 0.37 0.00 0.00 175.52 174.50 1rra n GLU 16 N -5.20 3.08 -2.78 6.66 0.00 -1.26 -4.24 120.64 116.90 1rra n GLU 16 Ca 0.03 -3.84 -0.26 0.00 0.00 0.00 0.00 57.16 53.09 1rra n GLU 16 Cb 0.21 -2.27 0.01 0.00 0.00 0.00 0.00 31.44 29.38 1rra n GLU 16 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1rra s GLY 17 N -2.40 1.51 0.42 -1.84 0.00 -1.15 -5.03 107.32 98.83 1rra s GLY 17 Ca 0.54 -0.75 -0.24 0.00 0.00 0.00 0.00 44.72 44.28 1rra s GLY 17 CO -0.16 -0.57 1.13 2.56 0.00 0.00 0.00 173.10 176.06 1rra s PRO 18 N -4.69 3.97 0.10 2.90 0.04 -1.26 -4.87 135.00 131.19 1rra s PRO 18 Ca 0.48 1.72 0.27 0.00 0.04 0.00 0.00 61.00 63.51 1rra s PRO 18 Cb -0.10 -2.53 1.02 0.00 0.04 0.00 0.00 34.50 32.93 1rra s PRO 18 CO 0.42 -0.36 1.84 0.45 0.04 0.00 0.00 177.00 179.39 1rra n SER 19 N -0.19 0.39 -4.09 6.66 2.88 -1.26 -3.89 113.62 114.12 1rra n SER 19 Ca 0.06 0.54 -0.36 0.00 -1.33 0.00 0.00 58.87 57.78 1rra n SER 19 Cb 0.48 -0.64 -0.07 0.00 -0.75 0.00 0.00 64.21 63.23 1rra n SER 19 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1rra s LYS 20 N -3.05 3.12 -0.01 -1.46 0.00 -1.26 -4.99 119.74 112.10 1rra s LYS 20 Ca 0.12 -3.17 -0.29 0.00 0.00 0.00 0.00 55.97 52.63 1rra s LYS 20 Cb 0.15 -3.89 -0.03 0.00 0.00 0.00 0.00 37.83 34.06 1rra s LYS 20 CO 0.55 -1.25 0.95 -1.12 0.00 0.00 0.00 175.35 174.48 1rra s SER 21 N -0.08 7.33 0.63 0.03 0.01 -1.25 -5.03 113.70 115.34 1rra s SER 21 Ca 0.26 1.61 -0.15 0.00 1.31 0.00 0.00 55.95 58.99 1rra s SER 21 Cb -0.09 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 1rra s SER 21 CO -0.11 -0.25 1.07 -0.94 0.41 0.00 0.00 173.24 173.42 1rra s SER 22 N 0.99 5.50 0.00 2.44 1.04 -1.26 -4.90 113.70 117.51 1rra s SER 22 Ca 0.51 1.83 0.01 0.00 0.48 0.00 0.00 55.95 58.77 1rra s SER 22 Cb -0.21 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.42 1rra s SER 22 CO 0.27 -1.36 0.71 -0.81 0.98 0.00 0.00 173.24 173.03 1rra n PRO 23 N -2.37 0.01 -0.17 4.02 -0.04 -1.26 -1.13 135.00 134.07 1rra n PRO 23 Ca 0.09 0.17 0.06 0.00 -0.04 0.00 0.00 63.50 63.79 1rra n PRO 23 Cb 0.53 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.64 1rra n PRO 23 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1rra n THR 24 N -1.18 0.85 0.29 0.52 -1.04 -1.26 -4.40 114.28 108.06 1rra n THR 24 Ca 0.00 -0.92 -0.16 0.00 -2.04 0.00 0.00 64.05 60.93 1rra n THR 24 Cb 0.00 0.62 -0.08 0.00 -1.82 0.00 0.00 70.33 69.05 1rra n THR 24 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1rra h TYR 25 N 2.28 -0.66 0.15 -1.42 5.03 -1.49 -2.76 116.97 118.11 1rra h TYR 25 Ca 0.00 -0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.31 1rra h TYR 25 Cb 0.72 0.22 -0.04 0.00 1.55 0.00 0.00 36.73 39.18 1rra h TYR 25 CO 0.22 -0.37 -0.32 0.00 -1.32 0.00 0.00 178.16 176.37 1rra h ASN 27 N -0.56 0.37 0.02 0.00 2.35 -1.81 0.11 115.58 116.05 1rra h ASN 27 Ca 0.02 0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.72 1rra h ASN 27 Cb 0.58 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.92 1rra h ASN 27 CO -0.16 0.16 -0.34 -0.61 -1.65 0.00 0.00 177.43 174.83 1rra h GLN 28 N 0.37 0.18 0.05 0.81 4.15 -0.92 -3.31 115.11 116.45 1rra h GLN 28 Ca 0.44 -0.23 -0.24 0.00 0.77 0.00 0.00 58.65 59.39 1rra h GLN 28 Cb 1.14 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.90 1rra h GLN 28 CO -0.15 1.01 -1.04 0.52 -1.93 0.00 0.00 178.83 177.23 1rra h MET 29 N -0.53 0.28 -0.53 1.69 2.86 -0.04 -2.72 114.93 115.94 1rra h MET 29 Ca -0.05 -0.37 -0.04 0.00 -2.06 0.00 0.00 59.70 57.18 1rra h MET 29 Cb 1.14 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.90 1rra h MET 29 CO 0.06 1.10 0.15 0.52 1.06 0.00 0.00 176.91 179.81 1rra h MET 30 N 0.13 0.80 -0.03 1.72 2.86 -0.97 -0.32 114.93 119.11 1rra h MET 30 Ca -0.09 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.27 1rra h MET 30 Cb 1.72 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 33.26 1rra h MET 30 CO 0.17 0.70 -0.49 -0.22 1.06 0.00 0.00 176.91 178.13 1rra h LYS 31 N 0.78 0.39 -0.49 1.72 3.64 -1.64 -1.28 116.57 119.68 1rra h LYS 31 Ca 0.18 -0.37 -0.06 0.00 -1.27 0.00 0.00 60.65 59.12 1rra h LYS 31 Cb 0.25 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1rra h LYS 31 CO -0.01 1.04 0.05 -0.09 -2.27 0.00 0.00 179.45 178.17 1rra h ARG 32 N -0.12 0.78 -0.01 1.90 2.43 -1.34 -2.66 114.38 115.35 1rra h ARG 32 Ca -0.05 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1rra h ARG 32 Cb 1.18 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1rra h ARG 32 CO 0.10 0.75 0.00 1.04 -1.51 0.00 0.00 179.97 180.35 1rra n GLN 33 N -4.24 1.15 -0.60 0.20 1.13 -0.14 -4.93 117.38 109.94 1rra n GLN 33 Ca 0.03 -0.22 0.00 0.00 -1.94 0.00 0.00 57.00 54.87 1rra n GLN 33 Cb 0.27 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.15 1rra n GLN 33 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rra n GLY 34 N 1.01 0.91 0.68 1.08 0.00 -1.00 -4.82 105.19 103.04 1rra n GLY 34 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.23 1rra n GLY 34 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1rra n MET 35 N -2.00 1.08 0.00 1.61 2.81 -0.49 -2.83 117.12 117.30 1rra n MET 35 Ca 0.00 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 1rra n MET 35 Cb 0.00 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 1rra n MET 35 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1rra n THR 36 N 0.14 0.00 0.00 2.03 -1.04 -1.23 -2.46 114.28 111.72 1rra n THR 36 Ca 0.01 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 1rra n THR 36 Cb 0.35 0.92 0.00 0.00 -1.82 0.00 0.00 70.33 69.78 1rra n THR 36 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1rra n LYS 37 N -1.04 0.00 0.16 -2.82 5.02 -1.13 -3.75 118.16 114.60 1rra n LYS 37 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.36 1rra n LYS 37 Cb 0.00 0.00 0.35 0.00 -0.02 0.00 0.00 35.03 35.36 1rra n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1rra n GLY 38 N 0.00 -0.61 3.78 0.72 0.00 -1.26 -4.75 105.19 103.07 1rra n GLY 38 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 1rra n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rra s SER 39 N -3.41 -0.06 -0.34 1.61 1.04 -1.25 -5.12 113.70 106.18 1rra s SER 39 Ca -0.01 -0.35 -0.19 0.00 0.48 0.00 0.00 55.95 55.87 1rra s SER 39 Cb 0.04 0.32 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 1rra s SER 39 CO 0.12 -0.62 0.57 0.00 0.98 0.00 0.00 173.24 174.28 1rra n LYS 41 N 5.84 2.74 -0.01 0.00 4.81 -1.03 -4.92 118.16 125.60 1rra n LYS 41 Ca -0.03 0.99 -0.11 0.00 -0.87 0.00 0.00 58.31 58.29 1rra n LYS 41 Cb 0.49 -2.86 -0.05 0.00 0.02 0.00 0.00 35.03 32.62 1rra n LYS 41 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1rra h PRO 42 N 7.69 0.14 -3.67 1.64 0.11 -1.93 -3.43 132.00 132.56 1rra h PRO 42 Ca -0.45 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 1rra h PRO 42 Cb 1.22 -0.03 -0.28 0.00 0.11 0.00 0.00 31.00 32.02 1rra h PRO 42 CO 0.95 0.12 -0.69 0.08 -0.21 0.00 0.00 178.00 178.25 1rra s VAL 43 N -6.07 -0.00 0.04 3.15 1.01 -1.26 -2.21 120.40 115.05 1rra s VAL 43 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 1rra s VAL 43 Cb 0.07 -0.05 0.04 0.00 0.00 0.00 0.00 36.38 36.44 1rra s VAL 43 CO 0.68 0.00 0.42 0.21 0.00 0.00 0.00 175.10 176.41 1rra s ASN 44 N 0.03 -0.29 0.00 3.32 2.47 -0.34 -5.01 114.94 115.11 1rra s ASN 44 Ca -0.00 0.04 0.02 0.00 0.42 0.00 0.00 52.86 53.34 1rra s ASN 44 Cb -0.00 0.42 -0.01 0.00 -1.45 0.00 0.00 41.25 40.21 1rra s ASN 44 CO -0.00 -0.65 -0.07 -0.89 -3.72 0.00 0.00 177.10 171.78 1rra s THR 45 N -2.33 0.53 -0.01 -5.21 2.01 -1.26 -1.06 115.64 108.31 1rra s THR 45 Ca -0.06 -0.42 0.06 0.00 0.31 0.00 0.00 61.69 61.58 1rra s THR 45 Cb -0.01 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 1rra s THR 45 CO -0.01 0.06 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.43 1rra s PHE 46 N -0.35 2.56 -0.39 4.92 0.40 -0.97 -4.41 117.98 119.73 1rra s PHE 46 Ca 0.01 -0.26 -0.04 0.00 -0.60 0.00 0.00 56.93 56.03 1rra s PHE 46 Cb -0.04 -1.53 0.09 0.00 0.51 0.00 0.00 43.02 42.05 1rra s PHE 46 CO -0.00 0.16 0.18 0.08 0.70 0.00 0.00 175.22 176.34 1rra s VAL 47 N -0.78 3.46 -1.29 -0.44 1.01 -0.06 -2.33 120.40 119.97 1rra s VAL 47 Ca 0.12 -1.75 -0.09 0.00 0.00 0.00 0.00 61.98 60.26 1rra s VAL 47 Cb -0.10 -3.23 -0.11 0.00 0.00 0.00 0.00 36.38 32.94 1rra s VAL 47 CO 0.02 -0.52 2.90 1.41 0.00 0.00 0.00 175.10 178.90 1rra n HIS 48 N 4.68 1.91 -4.02 5.22 8.25 -0.46 -2.88 115.22 127.93 1rra n HIS 48 Ca -0.06 -2.68 -0.08 0.00 -0.26 0.00 0.00 57.72 54.63 1rra n HIS 48 Cb 0.42 -2.23 -0.10 0.00 1.12 0.00 0.00 29.99 29.20 1rra n HIS 48 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1rra s GLU 49 N 2.21 0.51 0.56 -0.41 2.56 -1.26 -4.67 118.70 118.20 1rra s GLU 49 Ca 0.64 -0.92 -0.21 0.00 0.00 0.00 0.00 54.97 54.48 1rra s GLU 49 Cb 0.18 0.18 -0.05 0.00 2.00 0.00 0.00 34.13 36.45 1rra s GLU 49 CO -0.05 -0.10 1.29 -2.30 -0.56 0.00 0.00 175.26 173.54 1rra n PRO 50 N 0.74 1.52 -0.32 4.30 -0.02 -1.26 -4.44 135.00 135.52 1rra n PRO 50 Ca -0.18 0.56 -0.04 0.00 -2.02 0.00 0.00 63.50 61.83 1rra n PRO 50 Cb 0.59 -2.49 0.08 0.00 -0.02 0.00 0.00 33.50 31.66 1rra n PRO 50 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1rra h LEU 51 N 1.23 1.01 -0.82 2.45 5.85 -1.99 -2.12 115.31 120.92 1rra h LEU 51 Ca -0.50 -0.04 0.20 0.00 0.84 0.00 0.00 57.88 58.37 1rra h LEU 51 Cb 1.32 -0.25 -0.12 0.00 0.37 0.00 0.00 40.66 41.97 1rra h LEU 51 CO 0.56 0.75 0.25 -0.33 -0.34 0.00 0.00 178.44 179.33 1rra h GLU 52 N 1.18 0.28 -0.01 1.25 3.07 -1.99 0.17 114.58 118.53 1rra h GLU 52 Ca 0.32 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 59.06 1rra h GLU 52 Cb -0.11 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 1rra h GLU 52 CO -0.07 0.19 -0.45 -0.44 -1.40 0.00 0.00 179.01 176.84 1rra h ASP 53 N 0.29 0.03 0.12 1.42 5.19 -1.76 -2.64 116.42 119.07 1rra h ASP 53 Ca 0.49 -0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 56.71 1rra h ASP 53 Cb 0.91 -0.01 0.02 0.00 0.18 0.00 0.00 39.33 40.43 1rra h ASP 53 CO -0.56 0.48 -0.77 0.58 -3.12 0.00 0.00 179.24 175.86 1rra h VAL 54 N 0.03 1.51 -0.49 -1.35 2.07 -0.62 -3.31 116.25 114.09 1rra h VAL 54 Ca -0.00 -2.48 0.06 0.00 0.82 0.00 0.00 66.70 65.10 1rra h VAL 54 Cb 0.82 3.13 -0.03 0.00 -1.52 0.00 0.00 31.29 33.69 1rra h VAL 54 CO 0.06 0.70 0.33 1.56 0.02 0.00 0.00 177.57 180.24 1rra h GLN 55 N -0.35 0.42 0.00 1.57 4.20 -0.74 -0.46 115.11 119.76 1rra h GLN 55 Ca -0.13 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 1rra h GLN 55 Cb 1.59 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 29.27 1rra h GLN 55 CO 0.15 0.28 -0.11 0.00 -0.67 0.00 0.00 178.83 178.48 1rra h ALA 56 N 1.74 1.47 -0.10 3.87 0.00 -1.56 -2.41 119.26 122.27 1rra h ALA 56 Ca 0.21 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1rra h ALA 56 Cb 0.28 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1rra h ALA 56 CO -0.05 0.13 0.10 0.82 0.00 0.00 0.00 179.25 180.25 1rra h ILE 57 N 0.00 0.61 0.00 0.00 2.04 -1.18 -0.56 117.51 118.42 1rra h ILE 57 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1rra h ILE 57 Cb 0.25 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1rra h ILE 57 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.16 1rra n SER 59 N -0.92 0.67 -4.11 0.00 7.64 -0.22 -5.03 113.62 111.64 1rra n SER 59 Ca 0.06 -0.83 -0.30 0.00 1.01 0.00 0.00 58.87 58.81 1rra n SER 59 Cb 0.03 0.76 0.19 0.00 -1.01 0.00 0.00 64.21 64.18 1rra n SER 59 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1rra s GLN 60 N -1.45 0.53 0.28 1.43 -1.52 -0.31 -4.96 119.66 113.65 1rra s GLN 60 Ca 0.04 -0.39 -0.29 0.00 -1.95 0.00 0.00 55.36 52.77 1rra s GLN 60 Cb 0.06 -1.83 -0.14 0.00 -0.22 0.00 0.00 33.01 30.88 1rra s GLN 60 CO 0.25 -2.49 1.11 0.41 -0.25 0.00 0.00 175.29 174.32 1rra n GLY 61 N -3.60 -0.00 3.79 3.09 0.00 -1.26 -4.82 105.19 102.38 1rra n GLY 61 Ca 0.15 0.37 -0.38 0.00 0.00 0.00 0.00 46.02 46.16 1rra n GLY 61 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rra s GLN 62 N -1.34 4.14 0.19 1.61 1.03 -1.26 -2.73 119.66 121.31 1rra s GLN 62 Ca 0.61 0.53 0.10 0.00 0.04 0.00 0.00 55.36 56.64 1rra s GLN 62 Cb -0.70 -3.30 -0.04 0.00 0.03 0.00 0.00 33.01 29.00 1rra s GLN 62 CO 0.58 0.50 -0.20 0.14 -2.54 0.00 0.00 175.29 173.77 1rra s VAL 63 N -0.51 2.07 0.82 3.63 -7.23 -0.87 -4.94 120.40 113.37 1rra s VAL 63 Ca 0.26 -2.05 -0.12 0.00 -1.81 0.00 0.00 61.98 58.27 1rra s VAL 63 Cb -0.17 -2.01 0.08 0.00 0.56 0.00 0.00 36.38 34.84 1rra s VAL 63 CO 0.14 -0.29 1.10 -0.89 -0.31 0.00 0.00 175.10 174.85 1rra s THR 64 N -2.08 2.89 0.32 5.32 2.01 -1.26 -3.28 115.64 119.57 1rra s THR 64 Ca 0.20 0.29 0.07 0.00 0.31 0.00 0.00 61.69 62.56 1rra s THR 64 Cb -0.06 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 1rra s THR 64 CO 0.09 -0.38 0.34 0.00 -0.69 0.00 0.00 174.62 173.98 1rra h LYS 66 N 1.16 0.45 -0.25 0.00 1.57 -1.96 -1.24 116.57 116.31 1rra h LYS 66 Ca -0.46 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1rra h LYS 66 Cb 1.25 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1rra h LYS 66 CO 0.57 0.35 0.00 0.27 -0.57 0.00 0.00 179.45 180.07 1rra n ASN 67 N -4.44 1.51 0.00 0.86 0.23 -1.26 -4.92 115.26 107.24 1rra n ASN 67 Ca 0.02 -1.90 0.00 0.00 -0.53 0.00 0.00 54.58 52.17 1rra n ASN 67 Cb 0.11 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 1rra n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rra n GLY 68 N 1.00 0.70 3.90 4.83 0.00 -0.47 -5.05 105.19 110.11 1rra n GLY 68 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 1rra n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rra s ARG 69 N -0.10 3.18 0.09 1.61 0.52 -1.26 -4.69 118.95 118.30 1rra s ARG 69 Ca 0.00 0.23 0.27 0.00 -0.52 0.00 0.00 55.73 55.71 1rra s ARG 69 Cb 0.00 -2.23 0.94 0.00 0.52 0.00 0.00 34.95 34.18 1rra s ARG 69 CO 0.00 -0.60 1.78 -1.71 0.02 0.00 0.00 175.30 174.79 1rra n ASN 70 N -2.58 0.40 -1.28 0.23 4.05 -1.26 -1.66 115.26 113.16 1rra n ASN 70 Ca 0.04 0.43 0.05 0.00 0.45 0.00 0.00 54.58 55.55 1rra n ASN 70 Cb 0.56 -0.49 0.25 0.00 1.23 0.00 0.00 39.78 41.34 1rra n ASN 70 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1rra n ASN 71 N -1.83 3.71 -4.91 1.20 6.94 -1.26 -4.83 115.26 114.27 1rra n ASN 71 Ca 0.06 -2.45 -0.28 0.00 -0.02 0.00 0.00 54.58 51.88 1rra n ASN 71 Cb 0.38 -0.55 -0.03 0.00 -2.36 0.00 0.00 39.78 37.22 1rra n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rra s HIS 73 N -2.00 -0.01 -0.17 0.00 3.76 -0.69 -2.05 115.29 114.12 1rra s HIS 73 Ca 0.42 0.15 -0.15 0.00 -0.15 0.00 0.00 55.06 55.33 1rra s HIS 73 Cb -0.11 -0.13 -0.04 0.00 1.11 0.00 0.00 32.58 33.41 1rra s HIS 73 CO 0.29 -0.07 0.37 0.21 -0.85 0.00 0.00 174.74 174.69 1rra s LYS 74 N 0.69 4.24 0.57 1.40 2.20 -1.11 -2.50 119.74 125.22 1rra s LYS 74 Ca -0.06 0.19 -0.21 0.00 -0.36 0.00 0.00 55.97 55.54 1rra s LYS 74 Cb -0.08 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1rra s LYS 74 CO -0.02 0.11 1.32 -1.54 -0.36 0.00 0.00 175.35 174.85 1rra s SER 75 N 0.75 5.18 0.00 1.43 1.04 -0.91 -4.51 113.70 116.68 1rra s SER 75 Ca 0.19 2.66 0.21 0.00 0.48 0.00 0.00 55.95 59.50 1rra s SER 75 Cb -0.14 -2.63 0.53 0.00 0.10 0.00 0.00 66.02 63.88 1rra s SER 75 CO 0.07 -1.62 1.45 -1.54 0.98 0.00 0.00 173.24 172.57 1rra n SER 76 N -1.24 3.17 -3.98 7.02 3.41 -1.26 -4.82 113.62 115.93 1rra n SER 76 Ca 0.12 -1.96 -0.10 0.00 -0.26 0.00 0.00 58.87 56.67 1rra n SER 76 Cb 0.46 -0.31 -0.07 0.00 -0.26 0.00 0.00 64.21 64.04 1rra n SER 76 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rra s SER 77 N -1.28 0.03 -0.18 4.04 0.15 -1.26 -5.14 113.70 110.06 1rra s SER 77 Ca 0.39 -0.91 -0.20 0.00 0.70 0.00 0.00 55.95 55.94 1rra s SER 77 Cb 0.22 0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 64.95 1rra s SER 77 CO 0.30 -0.92 0.56 0.42 1.20 0.00 0.00 173.24 174.80 1rra s THR 78 N -3.99 5.08 0.19 6.45 -4.23 -1.26 -4.46 115.64 113.42 1rra s THR 78 Ca 0.19 1.07 -0.00 0.00 -1.18 0.00 0.00 61.69 61.77 1rra s THR 78 Cb 0.03 -3.89 -0.04 0.00 1.34 0.00 0.00 72.50 69.94 1rra s THR 78 CO 0.02 0.18 0.37 -0.76 -0.54 0.00 0.00 174.62 173.89 1rra s LEU 79 N 1.51 4.25 -0.63 4.79 1.02 -0.95 -4.89 118.68 123.77 1rra s LEU 79 Ca 0.27 0.36 -0.26 0.00 0.02 0.00 0.00 54.13 54.52 1rra s LEU 79 Cb -0.16 -3.13 0.04 0.00 0.02 0.00 0.00 46.19 42.96 1rra s LEU 79 CO 0.11 -0.02 1.14 -0.13 0.02 0.00 0.00 176.35 177.46 1rra s ARG 80 N -3.28 3.34 0.35 1.70 0.52 -1.26 -3.07 118.95 117.25 1rra s ARG 80 Ca 0.38 -0.11 0.09 0.00 -0.52 0.00 0.00 55.73 55.56 1rra s ARG 80 Cb -0.11 -4.09 -0.06 0.00 0.52 0.00 0.00 34.95 31.21 1rra s ARG 80 CO 0.29 -1.79 0.01 0.96 0.02 0.00 0.00 175.30 174.80 1rra s ILE 81 N 4.87 2.56 -0.05 1.52 -4.36 -1.15 -1.35 121.20 123.23 1rra s ILE 81 Ca 0.36 -1.97 -0.01 0.00 -0.26 0.00 0.00 60.65 58.76 1rra s ILE 81 Cb -0.10 -2.81 0.03 0.00 1.25 0.00 0.00 42.46 40.84 1rra s ILE 81 CO 0.20 -0.18 0.02 -0.89 0.24 0.00 0.00 174.94 174.33 1rra s THR 82 N -2.54 0.13 -0.13 8.37 2.01 -0.98 -2.73 115.64 119.77 1rra s THR 82 Ca 0.35 0.23 -0.07 0.00 0.31 0.00 0.00 61.69 62.51 1rra s THR 82 Cb 0.01 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 72.17 1rra s THR 82 CO 0.19 0.20 0.14 -1.81 -0.69 0.00 0.00 174.62 172.65 1rra s ASP 83 N 1.78 6.35 -0.22 3.53 1.01 -0.12 -2.30 116.67 126.70 1rra s ASP 83 Ca 0.01 0.43 0.01 0.00 0.71 0.00 0.00 52.55 53.70 1rra s ASP 83 Cb -0.12 -2.07 0.05 0.00 1.01 0.00 0.00 42.92 41.79 1rra s ASP 83 CO -0.03 0.37 -0.07 0.00 0.21 0.00 0.00 175.17 175.64 1rra s ARG 85 N 1.38 1.58 0.80 0.00 1.70 -1.22 -1.20 118.95 121.99 1rra s ARG 85 Ca -0.04 -0.36 -0.16 0.00 -0.47 0.00 0.00 55.73 54.70 1rra s ARG 85 Cb -0.18 -1.37 -0.08 0.00 -0.57 0.00 0.00 34.95 32.76 1rra s ARG 85 CO -0.07 -0.02 0.03 1.28 -1.08 0.00 0.00 175.30 175.44 1rra n LEU 86 N 3.99 -2.01 -4.84 -1.89 4.77 -0.94 -2.25 117.00 113.83 1rra n LEU 86 Ca -0.22 0.45 -0.26 0.00 -0.03 0.00 0.00 56.01 55.95 1rra n LEU 86 Cb 0.51 -1.03 -0.05 0.00 -2.33 0.00 0.00 43.42 40.53 1rra n LEU 86 CO 0.24 -4.30 -0.19 -0.54 -1.33 0.00 0.00 177.39 171.28 1rra s LYS 87 N -2.39 3.04 0.27 3.23 1.02 0.76 -4.80 119.74 120.88 1rra s LYS 87 Ca 0.56 -0.80 -0.00 0.00 0.02 0.00 0.00 55.97 55.75 1rra s LYS 87 Cb -0.31 -2.73 0.55 0.00 -0.52 0.00 0.00 37.83 34.83 1rra s LYS 87 CO 0.68 0.49 1.78 0.78 -0.92 0.00 0.00 175.35 178.16 1rra h GLY 88 N 2.34 1.46 0.71 -3.33 0.00 -1.95 -2.89 103.07 99.42 1rra h GLY 88 Ca -0.48 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 1rra h GLY 88 CO 0.65 -0.00 -0.35 1.48 0.00 0.00 0.00 176.54 178.31 1rra h SER 89 N 0.70 -0.93 0.00 0.19 4.64 -1.95 -3.47 113.55 112.73 1rra h SER 89 Ca 0.48 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1rra h SER 89 Cb 0.64 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1rra h SER 89 CO -0.34 -0.52 0.00 -1.20 -0.87 0.00 0.00 176.83 173.90 1rra n SER 90 N -5.47 0.00 -3.63 4.97 7.64 -1.09 -4.98 113.62 111.06 1rra n SER 90 Ca -0.11 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.48 1rra n SER 90 Cb 0.37 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.42 1rra n SER 90 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1rra s LYS 91 N 0.00 0.39 0.24 1.43 1.02 -1.04 -4.99 119.74 116.80 1rra s LYS 91 Ca 0.00 -0.64 -0.29 0.00 0.02 0.00 0.00 55.97 55.06 1rra s LYS 91 Cb 0.00 -1.59 -0.15 0.00 -0.52 0.00 0.00 37.83 35.56 1rra s LYS 91 CO 0.00 -0.93 0.89 0.98 -0.92 0.00 0.00 175.35 175.37 1rra n TYR 92 N 5.10 0.74 0.77 3.18 9.36 -1.26 -0.36 117.16 134.69 1rra n TYR 92 Ca -0.05 0.79 0.01 0.00 3.32 0.00 0.00 57.90 61.96 1rra n TYR 92 Cb 0.43 -2.16 0.05 0.00 -0.63 0.00 0.00 39.34 37.03 1rra n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1rra n PRO 93 N 0.97 1.47 -3.36 2.98 -0.04 -1.26 -5.02 135.00 130.74 1rra n PRO 93 Ca 0.13 -0.38 -0.45 0.00 -0.04 0.00 0.00 63.50 62.75 1rra n PRO 93 Cb 0.28 -1.59 -0.02 0.00 -0.04 0.00 0.00 33.50 32.14 1rra n PRO 93 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1rra s ASN 94 N -0.09 6.92 -0.17 3.54 -0.87 0.51 -5.02 114.94 119.77 1rra s ASN 94 Ca 0.07 -3.11 -0.25 0.00 -1.57 0.00 0.00 52.86 47.99 1rra s ASN 94 Cb 0.05 -2.19 -0.01 0.00 -0.02 0.00 0.00 41.25 39.08 1rra s ASN 94 CO 0.02 -0.43 0.84 0.00 -2.57 0.00 0.00 177.10 174.96 1rra s ASP 96 N 1.16 3.57 0.26 0.00 -1.08 -1.26 -4.90 116.67 114.43 1rra s ASP 96 Ca 0.38 -0.91 0.09 0.00 -0.52 0.00 0.00 52.55 51.60 1rra s ASP 96 Cb -0.16 -1.49 -0.04 0.00 -1.46 0.00 0.00 42.92 39.77 1rra s ASP 96 CO 0.12 -0.07 0.03 -0.31 0.52 0.00 0.00 175.17 175.46 1rra s TYR 97 N 1.23 2.76 -0.22 -5.34 1.51 -1.26 -0.17 117.35 115.87 1rra s TYR 97 Ca 0.00 -0.20 -0.07 0.00 -1.01 0.00 0.00 57.07 55.79 1rra s TYR 97 Cb -0.15 -1.23 -0.03 0.00 -0.11 0.00 0.00 41.96 40.44 1rra s TYR 97 CO -0.10 0.61 0.05 0.99 -1.11 0.00 0.00 175.55 175.99 1rra s THR 98 N -2.29 4.38 -0.43 -0.71 2.01 -0.95 -4.61 115.64 113.05 1rra s THR 98 Ca 0.32 -0.16 -0.21 0.00 0.31 0.00 0.00 61.69 61.95 1rra s THR 98 Cb -0.07 -3.01 0.02 0.00 0.01 0.00 0.00 72.50 69.45 1rra s THR 98 CO 0.21 0.39 0.66 -0.89 -0.69 0.00 0.00 174.62 174.30 1rra s THR 99 N 1.10 4.82 -0.16 -0.82 2.01 -1.26 -3.38 115.64 117.95 1rra s THR 99 Ca 0.04 0.23 -0.02 0.00 0.31 0.00 0.00 61.69 62.25 1rra s THR 99 Cb -0.14 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.15 1rra s THR 99 CO 0.03 -0.56 -0.09 -0.89 -0.69 0.00 0.00 174.62 172.42 1rra s THR 100 N 2.86 3.29 0.16 -0.82 2.01 -0.32 -4.89 115.64 117.92 1rra s THR 100 Ca 0.24 -0.56 -0.01 0.00 0.31 0.00 0.00 61.69 61.67 1rra s THR 100 Cb -0.14 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 1rra s THR 100 CO 0.19 0.49 0.35 -1.81 -0.69 0.00 0.00 174.62 173.14 1rra s ASP 101 N 0.69 6.40 0.05 3.53 1.01 -1.26 -0.94 116.67 126.15 1rra s ASP 101 Ca -0.04 0.40 -0.07 0.00 0.71 0.00 0.00 52.55 53.54 1rra s ASP 101 Cb -0.15 -2.01 0.03 0.00 1.01 0.00 0.00 42.92 41.79 1rra s ASP 101 CO 0.02 0.03 0.34 -0.24 0.21 0.00 0.00 175.17 175.53 1rra n SER 102 N -0.31 -0.54 -3.16 0.27 2.88 -1.11 -4.97 113.62 106.68 1rra n SER 102 Ca -0.04 -1.27 0.02 0.00 -1.33 0.00 0.00 58.87 56.25 1rra n SER 102 Cb 0.53 0.88 -0.00 0.00 -0.75 0.00 0.00 64.21 64.86 1rra n SER 102 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1rra s GLN 103 N -2.02 0.65 0.34 -1.46 0.74 -1.26 -2.96 119.66 113.70 1rra s GLN 103 Ca 0.08 0.09 0.03 0.00 0.05 0.00 0.00 55.36 55.61 1rra s GLN 103 Cb -0.01 0.15 -0.05 0.00 1.10 0.00 0.00 33.01 34.21 1rra s GLN 103 CO 0.02 -1.04 0.09 0.15 -0.55 0.00 0.00 175.29 173.96 1rra s LYS 104 N 2.30 1.70 0.37 1.67 1.02 -1.17 -4.82 119.74 120.81 1rra s LYS 104 Ca 0.14 -1.98 -0.24 0.00 0.02 0.00 0.00 55.97 53.92 1rra s LYS 104 Cb -0.06 -0.64 -0.10 0.00 -0.52 0.00 0.00 37.83 36.51 1rra s LYS 104 CO -0.16 -0.32 0.94 -1.01 -0.92 0.00 0.00 175.35 173.89 1rra s HIS 105 N -3.36 3.51 -0.01 3.18 3.76 -1.26 -2.25 115.29 118.86 1rra s HIS 105 Ca 0.32 1.69 0.04 0.00 -0.15 0.00 0.00 55.06 56.96 1rra s HIS 105 Cb 0.06 -2.88 -0.03 0.00 1.11 0.00 0.00 32.58 30.84 1rra s HIS 105 CO 0.15 0.06 -0.10 0.96 -0.85 0.00 0.00 174.74 174.96 1rra s ILE 106 N -1.89 3.43 -0.28 0.60 -4.36 -1.26 -0.84 121.20 116.59 1rra s ILE 106 Ca 0.56 -0.80 -0.05 0.00 -0.26 0.00 0.00 60.65 60.10 1rra s ILE 106 Cb -0.14 -2.45 0.02 0.00 1.25 0.00 0.00 42.46 41.14 1rra s ILE 106 CO 0.19 0.44 0.04 -0.63 0.24 0.00 0.00 174.94 175.21 1rra s ILE 107 N -0.93 3.60 0.37 8.37 1.01 0.42 -2.15 121.20 131.88 1rra s ILE 107 Ca 0.15 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 60.03 1rra s ILE 107 Cb -0.11 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 1rra s ILE 107 CO 0.05 0.09 0.21 0.27 0.00 0.00 0.00 174.94 175.56 1rra s ILE 108 N 1.43 2.89 -0.19 2.92 -4.36 -1.04 -0.32 121.20 122.53 1rra s ILE 108 Ca 0.01 -1.60 -0.00 0.00 -0.26 0.00 0.00 60.65 58.80 1rra s ILE 108 Cb -0.17 -3.01 0.01 0.00 1.25 0.00 0.00 42.46 40.54 1rra s ILE 108 CO 0.00 -0.12 -0.15 0.00 0.24 0.00 0.00 174.94 174.92 1rra s ALA 109 N -2.45 2.48 0.35 2.27 0.00 0.48 -1.71 121.76 123.17 1rra s ALA 109 Ca 0.40 -1.18 0.07 0.00 0.00 0.00 0.00 51.96 51.26 1rra s ALA 109 Cb -0.02 -1.33 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 1rra s ALA 109 CO 0.24 -0.33 0.33 0.00 0.00 0.00 0.00 175.76 176.00 1rra s ASP 111 N -4.04 -0.09 0.00 0.00 2.15 -0.61 -4.79 116.67 109.29 1rra s ASP 111 Ca 0.42 -0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.13 1rra s ASP 111 Cb -0.06 0.30 0.00 0.00 -0.30 0.00 0.00 42.92 42.86 1rra s ASP 111 CO 0.27 -0.57 0.00 0.61 -0.17 0.00 0.00 175.17 175.31 1rra n GLY 112 N -0.52 -2.13 3.08 2.66 0.00 -1.26 -1.31 105.19 105.70 1rra n GLY 112 Ca -0.07 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1rra n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rra s ASN 113 N -3.57 -0.95 0.00 1.61 3.84 -1.26 -3.07 114.94 111.54 1rra s ASN 113 Ca 0.00 0.41 -0.35 0.00 0.21 0.00 0.00 52.86 53.13 1rra s ASN 113 Cb 0.00 1.82 -0.14 0.00 -0.55 0.00 0.00 41.25 42.38 1rra s ASN 113 CO 0.00 -0.29 1.68 -0.81 -2.79 0.00 0.00 177.10 174.89 1rra n PRO 114 N 5.41 1.90 -1.59 0.43 -0.04 -1.26 -5.08 135.00 134.77 1rra n PRO 114 Ca 0.00 0.69 -0.22 0.00 -0.04 0.00 0.00 63.50 63.94 1rra n PRO 114 Cb 0.51 -2.46 -0.05 0.00 -0.04 0.00 0.00 33.50 31.46 1rra n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1rra s TYR 115 N 2.37 1.14 0.25 0.54 5.04 -1.17 -4.92 117.35 120.60 1rra s TYR 115 Ca 0.87 1.80 0.10 0.00 -2.44 0.00 0.00 57.07 57.40 1rra s TYR 115 Cb -0.77 -3.51 -0.05 0.00 0.35 0.00 0.00 41.96 37.98 1rra s TYR 115 CO 0.48 -1.91 -0.12 0.14 -1.34 0.00 0.00 175.55 172.80 1rra s VAL 116 N 13.72 2.94 0.50 3.14 -7.23 -0.43 -4.81 120.40 128.23 1rra s VAL 116 Ca 0.93 -2.05 -0.23 0.00 -1.81 0.00 0.00 61.98 58.82 1rra s VAL 116 Cb -0.14 -2.52 -0.07 0.00 0.56 0.00 0.00 36.38 34.21 1rra s VAL 116 CO 0.14 -0.30 1.28 -2.65 -0.31 0.00 0.00 175.10 173.25 1rra n PRO 117 N -0.49 1.69 0.00 4.82 -0.02 -1.26 -1.57 135.00 138.17 1rra n PRO 117 Ca -0.07 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1rra n PRO 117 Cb 0.58 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1rra n PRO 117 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1rra n VAL 118 N -0.79 0.00 -3.69 -1.45 0.24 0.32 -4.41 118.33 108.55 1rra n VAL 118 Ca 0.09 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.25 1rra n VAL 118 Cb 0.43 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.73 1rra n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1rra s HIS 119 N -0.53 -0.33 -0.39 6.34 3.76 -1.06 -4.67 115.29 118.40 1rra s HIS 119 Ca 0.00 0.55 -0.17 0.00 -0.15 0.00 0.00 55.06 55.29 1rra s HIS 119 Cb 0.00 0.19 0.01 0.00 1.11 0.00 0.00 32.58 33.89 1rra s HIS 119 CO 0.00 -0.45 0.43 0.12 -0.85 0.00 0.00 174.74 173.99 1rra s PHE 120 N -1.24 3.18 -0.14 1.40 5.36 -1.26 -0.39 117.98 124.89 1rra s PHE 120 Ca -0.12 -0.22 -0.14 0.00 -0.96 0.00 0.00 56.93 55.49 1rra s PHE 120 Cb -0.04 -2.85 -0.12 0.00 -0.34 0.00 0.00 43.02 39.68 1rra s PHE 120 CO 0.06 -0.62 0.23 0.22 -1.46 0.00 0.00 175.22 173.65 1rra h ASP 121 N 8.64 0.00 -5.06 6.13 3.58 -0.98 -3.48 116.42 125.24 1rra h ASP 121 Ca -0.27 -0.38 0.03 0.00 0.42 0.00 0.00 57.03 56.82 1rra h ASP 121 Cb 1.12 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.15 1rra h ASP 121 CO 0.77 0.87 0.31 0.00 -2.88 0.00 0.00 179.24 178.31 1rra s ALA 122 N -2.46 -0.97 -0.10 -0.78 0.00 -0.95 -4.98 121.76 111.52 1rra s ALA 122 Ca -0.14 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.26 1rra s ALA 122 Cb 0.01 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.86 1rra s ALA 122 CO 0.35 -1.01 -0.12 -1.12 0.00 0.00 0.00 175.76 173.86 1rra s SER 123 N -3.07 2.18 0.00 0.00 0.01 -1.26 -0.44 113.70 111.12 1rra s SER 123 Ca 0.15 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.05 1rra s SER 123 Cb -0.05 -0.94 0.00 0.00 0.21 0.00 0.00 66.02 65.24 1rra s SER 123 CO 0.09 -0.02 0.40 1.33 0.41 0.00 0.00 173.24 175.45