#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r3s s THR 3 N 0.00 5.31 0.49 2.46 -4.23 -1.26 -5.08 115.64 113.33 2r3s s THR 3 Ca 0.00 0.32 -0.20 0.00 -1.18 0.00 0.00 61.69 60.63 2r3s s THR 3 Cb 0.00 -3.57 -0.08 0.00 1.34 0.00 0.00 72.50 70.19 2r3s s THR 3 CO 0.00 0.31 1.03 -2.16 -0.54 0.00 0.00 174.62 173.25 2r3s s PRO 4 N 1.23 3.82 -0.05 3.99 0.04 -1.26 -5.07 135.00 137.71 2r3s s PRO 4 Ca 0.11 1.31 -0.05 0.00 0.04 0.00 0.00 61.00 62.40 2r3s s PRO 4 Cb -0.14 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.31 2r3s s PRO 4 CO 0.06 -0.41 0.14 0.45 0.04 0.00 0.00 177.00 177.28 2r3s s SER 5 N -2.09 -0.12 -0.02 6.66 0.15 -1.26 -5.02 113.70 111.99 2r3s s SER 5 Ca 0.66 0.21 0.08 0.00 0.70 0.00 0.00 55.95 57.60 2r3s s SER 5 Cb -0.15 0.27 0.27 0.00 -1.71 0.00 0.00 66.02 64.70 2r3s s SER 5 CO 0.21 -0.09 1.15 -0.81 1.20 0.00 0.00 173.24 174.90 2r3s n PRO 6 N 2.81 1.87 -0.11 5.44 -0.04 -1.26 -4.45 135.00 139.26 2r3s n PRO 6 Ca -0.14 -1.06 -0.09 0.00 -0.04 0.00 0.00 63.50 62.17 2r3s n PRO 6 Cb 0.59 -1.36 -0.01 0.00 -0.04 0.00 0.00 33.50 32.67 2r3s n PRO 6 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2r3s h ALA 7 N 3.33 0.43 -0.32 0.55 0.00 -1.99 -1.13 119.26 120.13 2r3s h ALA 7 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2r3s h ALA 7 Cb 0.55 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2r3s h ALA 7 CO 0.05 -0.03 0.03 1.25 0.00 0.00 0.00 179.25 180.55 2r3s h LEU 8 N 0.42 -0.06 0.17 0.00 5.85 -1.99 0.53 115.31 120.22 2r3s h LEU 8 Ca 0.12 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.91 2r3s h LEU 8 Cb 0.08 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 2r3s h LEU 8 CO -0.02 0.00 -0.48 0.15 -0.34 0.00 0.00 178.44 177.75 2r3s h PHE 9 N 0.13 -1.38 -0.48 1.25 3.57 -1.74 -0.33 116.94 117.95 2r3s h PHE 9 Ca 0.15 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 2r3s h PHE 9 Cb 0.19 0.58 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 2r3s h PHE 9 CO -0.21 -0.58 0.15 0.74 -2.23 0.00 0.00 178.31 176.18 2r3s h PHE 10 N -0.75 0.72 -0.16 0.41 0.04 -1.02 0.12 116.94 116.30 2r3s h PHE 10 Ca -0.00 -0.05 -0.16 0.00 2.80 0.00 0.00 57.97 60.56 2r3s h PHE 10 Cb 0.75 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 2r3s h PHE 10 CO -0.40 0.59 -0.57 -0.91 -0.60 0.00 0.00 178.31 176.43 2r3s h ASN 11 N 0.70 0.54 -0.30 2.17 2.35 -0.75 -2.12 115.58 118.17 2r3s h ASN 11 Ca 0.16 -0.30 -0.04 0.00 -0.55 0.00 0.00 56.30 55.58 2r3s h ASN 11 Cb 0.21 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2r3s h ASN 11 CO -0.01 1.00 0.04 0.74 -1.65 0.00 0.00 177.43 177.55 2r3s h THR 12 N 0.37 1.24 -0.85 2.81 2.02 -0.66 -1.40 112.91 116.44 2r3s h THR 12 Ca 0.00 -0.84 0.06 0.00 0.77 0.00 0.00 66.41 66.40 2r3s h THR 12 Cb 1.10 1.20 -0.06 0.00 -1.74 0.00 0.00 68.15 68.65 2r3s h THR 12 CO 0.10 0.27 0.53 0.58 0.37 0.00 0.00 175.52 177.38 2r3s h VAL 13 N 0.33 1.06 -0.12 3.16 2.07 -0.70 -2.37 116.25 119.67 2r3s h VAL 13 Ca 0.09 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2r3s h VAL 13 Cb 0.36 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2r3s h VAL 13 CO 0.01 0.18 0.00 0.59 0.02 0.00 0.00 177.57 178.37 2r3s n ASN 14 N -4.61 2.18 -0.26 0.57 3.02 -0.81 -4.41 115.26 110.94 2r3s n ASN 14 Ca 0.12 -1.75 0.28 0.00 -0.03 0.00 0.00 54.58 53.20 2r3s n ASN 14 Cb 0.16 -0.07 0.66 0.00 -0.61 0.00 0.00 39.78 39.91 2r3s n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2r3s h ALA 15 N 4.36 2.72 -0.19 5.41 0.00 -0.69 -0.66 119.26 130.22 2r3s h ALA 15 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2r3s h ALA 15 Cb 0.68 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2r3s h ALA 15 CO 0.00 -1.04 0.14 0.10 0.00 0.00 0.00 179.25 178.45 2r3s h TYR 16 N 0.14 0.00 -0.04 0.00 -0.00 -1.79 -0.52 116.97 114.75 2r3s h TYR 16 Ca 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 59.22 2r3s h TYR 16 Cb 1.78 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 38.51 2r3s h TYR 16 CO -0.00 0.00 -0.09 1.96 -0.00 0.00 0.00 178.16 180.03 2r3s h GLN 17 N 0.00 0.06 -0.27 0.10 4.20 -1.46 -2.11 115.11 115.62 2r3s h GLN 17 Ca 0.09 -0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.62 2r3s h GLN 17 Cb 0.37 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 2r3s h GLN 17 CO -0.00 0.15 -0.52 0.00 -0.67 0.00 0.00 178.83 177.79 2r3s h ARG 18 N 0.05 0.78 -0.68 1.46 3.08 -1.25 -1.60 114.38 116.22 2r3s h ARG 18 Ca 0.01 -0.48 -0.05 0.00 0.07 0.00 0.00 59.98 59.53 2r3s h ARG 18 Cb 0.19 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 2r3s h ARG 18 CO 0.01 1.11 0.22 0.77 -1.07 0.00 0.00 179.97 181.01 2r3s h SER 19 N 0.61 0.97 -0.74 7.04 0.02 -1.50 -1.69 113.55 118.26 2r3s h SER 19 Ca 0.02 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 60.72 2r3s h SER 19 Cb 1.10 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 2r3s h SER 19 CO 0.11 0.91 0.29 0.00 -1.14 0.00 0.00 176.83 177.00 2r3s h ALA 20 N 1.10 1.09 -0.20 3.77 0.00 -1.05 -1.62 119.26 122.34 2r3s h ALA 20 Ca 0.22 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2r3s h ALA 20 Cb 0.28 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2r3s h ALA 20 CO -0.01 0.64 -0.23 0.00 0.00 0.00 0.00 179.25 179.66 2r3s h ALA 21 N 1.21 0.29 -0.06 0.00 0.00 -1.11 -1.37 119.26 118.23 2r3s h ALA 21 Ca 0.25 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 2r3s h ALA 21 Cb 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2r3s h ALA 21 CO -0.02 0.25 -0.52 0.97 0.00 0.00 0.00 179.25 179.93 2r3s h ILE 22 N 0.17 1.36 -0.26 0.00 6.09 -1.26 -1.42 117.51 122.20 2r3s h ILE 22 Ca 0.03 -1.79 -0.01 0.00 -1.37 0.00 0.00 64.86 61.72 2r3s h ILE 22 Cb 0.79 1.90 -0.01 0.00 0.47 0.00 0.00 36.82 39.97 2r3s h ILE 22 CO 0.06 0.53 0.13 0.50 -3.07 0.00 0.00 178.15 176.29 2r3s h LYS 23 N 0.12 0.36 -0.52 2.19 3.64 -1.20 -2.17 116.57 118.98 2r3s h LYS 23 Ca 0.00 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2r3s h LYS 23 Cb 0.96 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 2r3s h LYS 23 CO 0.08 0.34 0.29 0.00 -2.27 0.00 0.00 179.45 177.89 2r3s h ALA 24 N 1.01 0.67 -0.74 5.00 0.00 -0.85 -1.11 119.26 123.23 2r3s h ALA 24 Ca 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2r3s h ALA 24 Cb 0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2r3s h ALA 24 CO -0.01 0.18 0.37 0.00 0.00 0.00 0.00 179.25 179.79 2r3s h ALA 25 N 1.13 0.96 -0.07 0.00 0.00 -1.23 0.77 119.26 120.82 2r3s h ALA 25 Ca 0.19 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2r3s h ALA 25 Cb 0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2r3s h ALA 25 CO -0.03 0.51 -0.07 0.28 0.00 0.00 0.00 179.25 179.93 2r3s h VAL 26 N 1.04 1.37 -0.39 0.00 2.07 -1.27 -0.48 116.25 118.59 2r3s h VAL 26 Ca 0.26 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.57 2r3s h VAL 26 Cb 0.10 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 2r3s h VAL 26 CO -0.03 0.34 0.26 -0.33 0.02 0.00 0.00 177.57 177.83 2r3s h GLU 27 N -0.25 0.43 -0.01 1.57 5.08 -1.03 -1.66 114.58 118.72 2r3s h GLU 27 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2r3s h GLU 27 Cb 0.58 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2r3s h GLU 27 CO 0.02 0.29 -0.38 1.28 -1.00 0.00 0.00 179.01 179.22 2r3s n LEU 28 N -4.48 0.94 -1.90 1.33 4.77 0.25 -4.96 117.00 112.95 2r3s n LEU 28 Ca 0.04 -0.23 -0.13 0.00 -0.03 0.00 0.00 56.01 55.65 2r3s n LEU 28 Cb 0.13 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 2r3s n LEU 28 CO 0.35 0.19 0.00 0.59 -1.33 0.00 0.00 177.39 177.19 2r3s n ASN 29 N -0.90 -4.27 -0.21 -1.43 3.02 -0.50 -4.81 115.26 106.16 2r3s n ASN 29 Ca 0.10 -0.17 -0.07 0.00 -0.03 0.00 0.00 54.58 54.40 2r3s n ASN 29 Cb 0.35 -3.15 0.03 0.00 -0.61 0.00 0.00 39.78 36.40 2r3s n ASN 29 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2r3s h VAL 30 N -0.85 1.22 -0.11 2.41 2.07 -1.40 -2.27 116.25 117.32 2r3s h VAL 30 Ca -0.32 -0.67 -0.14 0.00 0.82 0.00 0.00 66.70 66.40 2r3s h VAL 30 Cb 1.22 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2r3s h VAL 30 CO 0.34 0.26 -0.53 -0.26 0.02 0.00 0.00 177.57 177.40 2r3s h PHE 31 N 0.80 0.40 -0.28 1.57 0.04 -1.80 -1.62 116.94 116.03 2r3s h PHE 31 Ca 0.20 -0.14 -0.08 0.00 2.80 0.00 0.00 57.97 60.75 2r3s h PHE 31 Cb 0.17 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 2r3s h PHE 31 CO 0.01 0.78 -0.17 1.15 -0.60 0.00 0.00 178.31 179.48 2r3s h THR 32 N 0.25 1.24 -0.15 -1.55 2.02 -1.67 0.08 112.91 113.13 2r3s h THR 32 Ca 0.01 -1.12 -0.17 0.00 0.77 0.00 0.00 66.41 65.89 2r3s h THR 32 Cb 1.02 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 68.64 2r3s h THR 32 CO 0.09 0.36 -0.63 0.00 0.37 0.00 0.00 175.52 175.71 2r3s h ALA 33 N 1.36 0.62 -0.03 6.16 0.00 -0.75 -3.26 119.26 123.36 2r3s h ALA 33 Ca 0.08 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 2r3s h ALA 33 Cb 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2r3s h ALA 33 CO 0.04 0.71 -0.24 0.82 0.00 0.00 0.00 179.25 180.58 2r3s h ILE 34 N 0.40 1.49 0.00 0.00 2.04 -1.27 -3.49 117.51 116.68 2r3s h ILE 34 Ca -0.01 -1.77 0.00 0.00 1.00 0.00 0.00 64.86 64.08 2r3s h ILE 34 Cb 1.19 2.53 0.00 0.00 -0.74 0.00 0.00 36.82 39.80 2r3s h ILE 34 CO 0.12 0.49 0.00 -0.24 0.00 0.00 0.00 178.15 178.52 2r3s n SER 35 N -4.52 0.00 -1.30 1.72 2.88 0.01 -1.95 113.62 110.46 2r3s n SER 35 Ca -0.09 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.51 2r3s n SER 35 Cb 0.47 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.20 2r3s n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2r3s n GLN 36 N 14.00 3.20 0.00 -1.46 6.02 -1.26 -4.36 117.38 133.52 2r3s n GLN 36 Ca 0.00 -2.09 0.00 0.00 -0.01 0.00 0.00 57.00 54.90 2r3s n GLN 36 Cb 0.00 -1.81 0.00 0.00 1.02 0.00 0.00 30.24 29.45 2r3s n GLN 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2r3s n GLY 37 N 0.76 2.82 2.73 1.08 0.00 -0.82 -4.98 105.19 106.77 2r3s n GLY 37 Ca 0.19 -1.96 -0.21 0.00 0.00 0.00 0.00 46.02 44.04 2r3s n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r3s s ILE 38 N 2.30 0.13 -0.04 -0.61 1.01 -1.26 -4.44 121.20 118.30 2r3s s ILE 38 Ca 0.00 0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.93 2r3s s ILE 38 Cb 0.00 -0.33 0.02 0.00 0.01 0.00 0.00 42.46 42.16 2r3s s ILE 38 CO 0.00 0.21 -0.05 -1.61 0.00 0.00 0.00 174.94 173.49 2r3s s GLU 39 N 1.99 0.79 0.93 2.79 0.41 -0.81 -4.84 118.70 119.96 2r3s s GLU 39 Ca 0.04 -0.14 -0.12 0.00 -0.41 0.00 0.00 54.97 54.34 2r3s s GLU 39 Cb -0.12 -0.78 0.15 0.00 -1.78 0.00 0.00 34.13 31.60 2r3s s GLU 39 CO -0.04 -0.02 1.09 -1.54 -0.49 0.00 0.00 175.26 174.26 2r3s s SER 40 N 0.66 3.19 0.44 -0.19 1.04 -1.25 0.08 113.70 117.67 2r3s s SER 40 Ca -0.09 1.50 0.19 0.00 0.48 0.00 0.00 55.95 58.03 2r3s s SER 40 Cb -0.12 -2.17 1.03 0.00 0.10 0.00 0.00 66.02 64.85 2r3s s SER 40 CO 0.00 -2.82 1.93 0.77 0.98 0.00 0.00 173.24 174.11 2r3s h SER 41 N -1.67 0.00 -0.08 7.02 4.64 -1.94 -1.37 113.55 120.14 2r3s h SER 41 Ca -0.50 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.79 2r3s h SER 41 Cb 1.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2r3s h SER 41 CO 0.54 0.24 -0.04 1.56 -0.87 0.00 0.00 176.83 178.26 2r3s h GLN 42 N 0.00 0.17 -0.36 4.77 7.50 -1.92 -1.02 115.11 124.25 2r3s h GLN 42 Ca -0.00 -0.07 0.02 0.00 0.50 0.00 0.00 58.65 59.09 2r3s h GLN 42 Cb 0.50 -0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.00 2r3s h GLN 42 CO 0.03 0.54 0.20 1.03 -1.50 0.00 0.00 178.83 179.13 2r3s h SER 43 N -0.21 0.31 -0.36 1.46 0.87 -1.89 -2.20 113.55 111.53 2r3s h SER 43 Ca 0.02 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.54 2r3s h SER 43 Cb 0.49 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2r3s h SER 43 CO 0.01 0.23 0.08 -0.07 -0.53 0.00 0.00 176.83 176.54 2r3s h LEU 44 N 0.41 0.63 -0.60 2.23 3.38 -1.20 -0.02 115.31 120.13 2r3s h LEU 44 Ca 0.15 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2r3s h LEU 44 Cb 0.03 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2r3s h LEU 44 CO -0.08 0.65 0.27 0.00 0.09 0.00 0.00 178.44 179.36 2r3s h ALA 45 N 1.43 0.77 -0.31 1.53 0.00 -0.94 0.37 119.26 122.12 2r3s h ALA 45 Ca 0.14 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2r3s h ALA 45 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2r3s h ALA 45 CO 0.00 0.36 0.02 1.96 0.00 0.00 0.00 179.25 181.59 2r3s h GLN 46 N 0.82 0.54 -0.44 0.00 7.50 -1.05 0.16 115.11 122.64 2r3s h GLN 46 Ca 0.20 -0.16 -0.09 0.00 0.50 0.00 0.00 58.65 59.10 2r3s h GLN 46 Cb 0.15 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.61 2r3s h GLN 46 CO -0.02 0.66 -0.10 0.87 -1.50 0.00 0.00 178.83 178.73 2r3s h LYS 47 N 0.34 0.78 -0.01 1.46 1.57 -0.76 -3.22 116.57 116.74 2r3s h LYS 47 Ca 0.09 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2r3s h LYS 47 Cb 0.40 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2r3s h LYS 47 CO 0.01 0.86 -0.47 0.00 -0.57 0.00 0.00 179.45 179.28 2r3s n GLN 49 N -0.20 -4.92 -4.62 0.00 1.13 0.47 -5.03 117.38 104.21 2r3s n GLN 49 Ca 0.09 0.75 -0.28 0.00 -1.94 0.00 0.00 57.00 55.63 2r3s n GLN 49 Cb 0.44 -5.52 -0.10 0.00 0.11 0.00 0.00 30.24 25.18 2r3s n GLN 49 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2r3s s THR 50 N -3.48 1.51 0.63 5.09 -4.23 -0.64 -5.05 115.64 109.48 2r3s s THR 50 Ca 0.11 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.44 2r3s s THR 50 Cb -0.02 -2.69 -0.02 0.00 1.34 0.00 0.00 72.50 71.11 2r3s s THR 50 CO 0.77 0.00 1.30 -0.94 -0.54 0.00 0.00 174.62 175.20 2r3s s SER 51 N -3.70 4.71 0.10 3.99 1.04 -1.26 -4.62 113.70 113.96 2r3s s SER 51 Ca 0.27 2.63 -0.18 0.00 0.48 0.00 0.00 55.95 59.15 2r3s s SER 51 Cb 0.07 -2.62 -0.06 0.00 0.10 0.00 0.00 66.02 63.51 2r3s s SER 51 CO 0.13 -1.94 1.57 -0.08 0.98 0.00 0.00 173.24 173.91 2r3s h GLU 52 N 0.67 0.49 -0.26 4.02 4.22 -1.92 -3.27 114.58 118.53 2r3s h GLU 52 Ca -0.51 -0.13 -0.13 0.00 0.08 0.00 0.00 59.36 58.67 2r3s h GLU 52 Cb 1.33 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 2r3s h GLU 52 CO 0.54 0.60 -0.37 0.07 -2.18 0.00 0.00 179.01 177.66 2r3s h ARG 53 N 0.31 0.60 0.00 1.92 0.11 -1.94 -1.15 114.38 114.23 2r3s h ARG 53 Ca 0.09 -0.29 0.00 0.00 0.10 0.00 0.00 59.98 59.88 2r3s h ARG 53 Cb 0.35 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 2r3s h ARG 53 CO 0.01 0.88 0.00 0.41 0.10 0.00 0.00 179.97 181.36 2r3s n GLY 54 N -0.06 0.00 0.32 0.08 0.00 -1.23 -4.58 105.19 99.72 2r3s n GLY 54 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2r3s n GLY 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2r3s n ARG 56 N 0.43 -0.32 0.00 1.61 0.00 -0.44 -4.59 116.66 113.36 2r3s n ARG 56 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2r3s n ARG 56 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 32.46 31.25 2r3s n ARG 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2r3s n LEU 58 N -0.30 0.00 -0.27 6.15 7.94 -1.26 -1.05 117.00 128.21 2r3s n LEU 58 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 2r3s n LEU 58 Cb 0.00 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.01 2r3s n LEU 58 CO 0.00 0.00 1.05 0.00 -1.11 0.00 0.00 177.39 177.33 2r3s h ASP 60 N 1.07 1.12 -0.40 0.00 3.32 -1.49 0.32 116.42 120.36 2r3s h ASP 60 Ca 0.25 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 2r3s h ASP 60 Cb 0.18 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2r3s h ASP 60 CO -0.03 0.81 -0.04 0.22 -1.72 0.00 0.00 179.24 178.48 2r3s h TYR 61 N 1.32 0.81 -0.31 4.55 5.03 -1.65 -0.84 116.97 125.88 2r3s h TYR 61 Ca 0.37 -0.16 -0.04 0.00 2.58 0.00 0.00 58.73 61.48 2r3s h TYR 61 Cb -0.13 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 37.93 2r3s h TYR 61 CO -0.00 0.83 0.02 -0.07 -1.32 0.00 0.00 178.16 177.62 2r3s h LEU 62 N 0.55 0.44 -0.06 2.82 3.38 -0.56 -0.35 115.31 121.54 2r3s h LEU 62 Ca 0.11 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2r3s h LEU 62 Cb 0.54 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2r3s h LEU 62 CO 0.03 0.50 0.03 0.58 0.09 0.00 0.00 178.44 179.66 2r3s h VAL 63 N 0.46 1.12 -0.66 1.22 2.07 -0.69 0.14 116.25 119.91 2r3s h VAL 63 Ca 0.10 -0.34 0.10 0.00 0.82 0.00 0.00 66.70 67.38 2r3s h VAL 63 Cb 0.28 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 2r3s h VAL 63 CO 0.01 0.10 0.28 0.40 0.02 0.00 0.00 177.57 178.37 2r3s h ILE 64 N -0.04 0.78 -0.05 4.57 2.04 -0.53 -2.30 117.51 121.99 2r3s h ILE 64 Ca 0.02 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2r3s h ILE 64 Cb 0.13 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2r3s h ILE 64 CO -0.00 0.09 0.00 2.30 0.00 0.00 0.00 178.15 180.53 2r3s n ILE 65 N -4.95 0.05 0.00 -0.67 -5.35 -0.20 -4.95 119.36 103.28 2r3s n ILE 65 Ca 0.10 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 2r3s n ILE 65 Cb 0.29 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.65 2r3s n ILE 65 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2r3s n GLY 66 N 1.16 1.22 0.26 3.28 0.00 -0.75 -5.06 105.19 105.31 2r3s n GLY 66 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 2r3s n GLY 66 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2r3s n PHE 67 N -1.47 0.00 -4.24 1.61 3.72 0.41 -4.90 117.46 112.60 2r3s n PHE 67 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 2r3s n PHE 67 Cb 0.00 -0.11 -0.10 0.00 -0.94 0.00 0.00 39.48 38.33 2r3s n PHE 67 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2r3s s THR 69 N -2.54 0.88 -0.29 4.37 -4.23 0.13 -3.11 115.64 110.85 2r3s s THR 69 Ca 0.22 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 2r3s s THR 69 Cb 0.19 -1.98 0.06 0.00 1.34 0.00 0.00 72.50 72.10 2r3s s THR 69 CO 0.54 -0.61 -0.03 -0.75 -0.54 0.00 0.00 174.62 173.23 2r3s s LYS 70 N -3.84 2.31 0.49 3.99 2.20 -1.26 -1.52 119.74 122.11 2r3s s LYS 70 Ca 0.20 -1.34 0.08 0.00 -0.36 0.00 0.00 55.97 54.55 2r3s s LYS 70 Cb 0.05 -3.10 0.03 0.00 -1.51 0.00 0.00 37.83 33.30 2r3s s LYS 70 CO 0.02 -0.63 0.56 -0.65 -0.36 0.00 0.00 175.35 174.28 2r3s s GLN 71 N 1.18 2.48 0.24 4.03 -1.52 0.13 -5.00 119.66 121.20 2r3s s GLN 71 Ca -0.05 -1.59 -0.06 0.00 -1.95 0.00 0.00 55.36 51.71 2r3s s GLN 71 Cb -0.20 -2.50 0.45 0.00 -0.22 0.00 0.00 33.01 30.54 2r3s s GLN 71 CO -0.03 -0.50 1.66 0.00 -0.25 0.00 0.00 175.29 176.17 2r3s h ALA 72 N 0.62 0.87 -0.26 6.09 0.00 -2.03 -2.91 119.26 121.64 2r3s h ALA 72 Ca -0.37 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2r3s h ALA 72 Cb 1.28 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2r3s h ALA 72 CO 0.49 -0.39 0.00 -0.85 0.00 0.00 0.00 179.25 178.50 2r3s n GLU 73 N -5.26 2.42 -1.60 0.00 0.00 -1.26 -5.06 120.64 109.89 2r3s n GLU 73 Ca 0.14 -2.15 0.00 0.00 0.00 0.00 0.00 57.16 55.15 2r3s n GLU 73 Cb 0.47 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.42 2r3s n GLU 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2r3s n GLY 74 N 1.43 0.02 3.89 -1.84 0.00 -1.10 -3.91 105.19 103.67 2r3s n GLY 74 Ca 0.17 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 2r3s n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2r3s s TYR 75 N -2.35 3.49 -0.02 1.61 2.02 0.11 -0.70 117.35 121.52 2r3s s TYR 75 Ca 0.00 0.67 0.01 0.00 -0.37 0.00 0.00 57.07 57.38 2r3s s TYR 75 Cb 0.00 -2.09 0.01 0.00 -0.40 0.00 0.00 41.96 39.48 2r3s s TYR 75 CO 0.00 0.42 -0.04 0.50 -1.57 0.00 0.00 175.55 174.87 2r3s s ARG 76 N -2.50 0.48 0.52 -0.62 3.52 -0.58 -1.93 118.95 117.83 2r3s s ARG 76 Ca 0.40 -0.12 -0.21 0.00 -0.13 0.00 0.00 55.73 55.68 2r3s s ARG 76 Cb -0.12 -0.50 -0.06 0.00 -1.56 0.00 0.00 34.95 32.70 2r3s s ARG 76 CO 0.22 0.02 1.15 -0.51 -0.81 0.00 0.00 175.30 175.37 2r3s s LEU 77 N 0.31 3.83 0.84 -0.88 1.43 -1.26 0.20 118.68 123.15 2r3s s LEU 77 Ca -0.03 2.23 -0.11 0.00 -1.03 0.00 0.00 54.13 55.19 2r3s s LEU 77 Cb -0.07 -4.47 0.10 0.00 0.03 0.00 0.00 46.19 41.77 2r3s s LEU 77 CO -0.00 -1.15 1.09 0.42 0.23 0.00 0.00 176.35 176.94 2r3s s THR 78 N -1.69 2.95 0.25 5.49 -4.23 -1.18 -4.74 115.64 112.49 2r3s s THR 78 Ca 0.70 0.31 -0.05 0.00 -1.18 0.00 0.00 61.69 61.47 2r3s s THR 78 Cb -0.26 -2.81 0.23 0.00 1.34 0.00 0.00 72.50 71.01 2r3s s THR 78 CO 0.30 -0.40 1.87 0.28 -0.54 0.00 0.00 174.62 176.12 2r3s h SER 79 N -1.36 0.93 -0.68 3.99 0.02 -1.96 -0.51 113.55 113.97 2r3s h SER 79 Ca -0.47 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.46 2r3s h SER 79 Cb 1.26 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 2r3s h SER 79 CO 0.54 0.60 0.31 0.44 -1.14 0.00 0.00 176.83 177.58 2r3s h ASP 80 N 1.07 0.92 -0.29 3.07 3.32 -1.94 -3.07 116.42 119.49 2r3s h ASP 80 Ca 0.39 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 57.18 2r3s h ASP 80 Cb 0.13 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2r3s h ASP 80 CO -0.16 0.81 -0.25 0.28 -1.72 0.00 0.00 179.24 178.20 2r3s h SER 81 N 0.96 0.73 0.00 6.45 0.02 -1.71 -1.02 113.55 118.98 2r3s h SER 81 Ca 0.23 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2r3s h SER 81 Cb 0.15 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2r3s h SER 81 CO -0.03 1.03 0.00 0.00 -1.14 0.00 0.00 176.83 176.70 2r3s n ALA 82 N -2.48 0.88 0.00 3.77 0.00 -0.24 -1.06 120.51 121.38 2r3s n ALA 82 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2r3s n ALA 82 Cb 0.45 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.11 2r3s n ALA 82 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2r3s n PHE 84 N 0.19 0.00 -0.02 0.00 3.72 -0.38 -4.08 117.46 116.88 2r3s n PHE 84 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2r3s n PHE 84 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2r3s n PHE 84 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2r3s n LEU 85 N -0.21 0.13 -4.63 4.37 4.77 -0.22 -0.62 117.00 120.60 2r3s n LEU 85 Ca 0.00 -0.49 -0.40 0.00 -0.03 0.00 0.00 56.01 55.08 2r3s n LEU 85 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2r3s n LEU 85 CO 0.00 0.03 0.37 -0.62 -1.33 0.00 0.00 177.39 175.84 2r3s s ASP 86 N -0.72 6.56 0.66 -1.43 -1.08 -1.03 -4.04 116.67 115.58 2r3s s ASP 86 Ca 0.00 0.68 0.41 0.00 -0.52 0.00 0.00 52.55 53.12 2r3s s ASP 86 Cb 0.00 -2.33 2.27 0.00 -1.46 0.00 0.00 42.92 41.40 2r3s s ASP 86 CO 0.00 -0.35 2.31 0.03 0.52 0.00 0.00 175.17 177.68 2r3s h ARG 87 N 7.90 0.00 0.00 4.34 3.08 -1.89 -0.79 114.38 127.01 2r3s h ARG 87 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2r3s h ARG 87 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 2r3s h ARG 87 CO 0.76 0.00 0.00 0.37 -1.07 0.00 0.00 179.97 180.03 2r3s h GLN 88 N 0.00 0.00 -6.54 0.04 4.15 -1.93 -3.44 115.11 107.40 2r3s h GLN 88 Ca 0.00 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 58.90 2r3s h GLN 88 Cb 0.08 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 2r3s h GLN 88 CO -0.00 0.00 0.26 0.45 -1.93 0.00 0.00 178.83 177.61 2r3s s SER 89 N -5.52 7.44 0.52 -0.69 0.15 -0.30 -4.94 113.70 110.37 2r3s s SER 89 Ca 0.03 1.71 0.34 0.00 0.70 0.00 0.00 55.95 58.72 2r3s s SER 89 Cb 0.09 -2.54 1.84 0.00 -1.71 0.00 0.00 66.02 63.69 2r3s s SER 89 CO 0.54 0.09 2.03 0.07 1.20 0.00 0.00 173.24 177.17 2r3s h LYS 90 N 4.87 0.00 -0.42 5.44 -0.00 -1.87 -2.32 116.57 122.26 2r3s h LYS 90 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.20 2r3s h LYS 90 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.44 2r3s h LYS 90 CO 0.69 0.00 0.00 1.19 -0.00 0.00 0.00 179.45 181.33 2r3s n PHE 91 N -2.71 1.08 -1.69 0.07 3.72 -1.26 -5.01 117.46 111.66 2r3s n PHE 91 Ca -0.02 -0.69 -0.44 0.00 -0.05 0.00 0.00 57.45 56.25 2r3s n PHE 91 Cb 0.09 -0.24 -0.04 0.00 -0.94 0.00 0.00 39.48 38.35 2r3s n PHE 91 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2r3s n TYR 92 N 0.33 2.53 -0.22 1.38 9.36 -0.88 -4.45 117.16 125.21 2r3s n TYR 92 Ca 0.21 0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.45 2r3s n TYR 92 Cb 0.80 -2.66 0.00 0.00 -0.63 0.00 0.00 39.34 36.85 2r3s n TYR 92 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 2r3s n VAL 93 N 4.23 0.46 0.10 2.97 0.24 0.21 -4.83 118.33 121.71 2r3s n VAL 93 Ca 0.18 -0.62 0.11 0.00 -2.04 0.00 0.00 64.34 61.96 2r3s n VAL 93 Cb 0.34 0.86 0.59 0.00 -1.47 0.00 0.00 33.84 34.15 2r3s n VAL 93 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2r3s h GLY 94 N 0.00 0.20 0.93 7.63 0.00 -1.89 -1.55 103.07 108.39 2r3s h GLY 94 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2r3s h GLY 94 CO 0.00 0.05 0.00 1.22 0.00 0.00 0.00 176.54 177.81 2r3s n ASP 95 N -4.48 0.00 -0.02 0.19 8.00 -1.26 -2.90 116.55 116.08 2r3s n ASP 95 Ca 0.03 -0.88 0.24 0.00 0.71 0.00 0.00 54.79 54.89 2r3s n ASP 95 Cb 0.25 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 42.06 2r3s n ASP 95 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2r3s h ALA 96 N 3.56 2.43 0.00 2.24 0.00 -1.38 -1.90 119.26 124.20 2r3s h ALA 96 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2r3s h ALA 96 Cb 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2r3s h ALA 96 CO 0.00 -0.88 -0.04 -0.84 0.00 0.00 0.00 179.25 177.49 2r3s h ILE 97 N 0.00 0.22 -0.98 0.00 3.07 -1.79 -1.47 117.51 116.57 2r3s h ILE 97 Ca 0.29 -0.30 0.11 0.00 1.55 0.00 0.00 64.86 66.51 2r3s h ILE 97 Cb 1.41 1.24 -0.08 0.00 -0.27 0.00 0.00 36.82 39.12 2r3s h ILE 97 CO -0.00 0.04 0.62 -0.33 -1.05 0.00 0.00 178.15 177.43 2r3s h GLU 98 N 0.00 0.95 0.00 0.16 4.39 -1.63 -1.05 114.58 117.40 2r3s h GLU 98 Ca -0.00 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.52 2r3s h GLU 98 Cb 0.24 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 2r3s h GLU 98 CO 0.01 0.63 -0.81 0.35 -1.16 0.00 0.00 179.01 178.03 2r3s h PHE 99 N 0.98 0.00 -0.41 4.33 3.57 -1.66 -3.32 116.94 120.44 2r3s h PHE 99 Ca 0.47 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.96 2r3s h PHE 99 Cb 0.44 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 2r3s h PHE 99 CO -0.00 0.94 0.24 -0.07 -2.23 0.00 0.00 178.31 177.18 2r3s h LEU 100 N -1.00 0.49 -3.43 0.59 3.38 -1.25 -1.15 115.31 112.94 2r3s h LEU 100 Ca -0.19 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 2r3s h LEU 100 Cb 0.97 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 2r3s h LEU 100 CO -0.11 0.39 0.05 0.18 0.09 0.00 0.00 178.44 179.03 2r3s n LEU 101 N -4.44 4.70 -4.75 1.67 4.77 -0.40 -4.68 117.00 113.86 2r3s n LEU 101 Ca 0.03 -3.15 -0.40 0.00 -0.03 0.00 0.00 56.01 52.46 2r3s n LEU 101 Cb 0.09 -0.62 0.02 0.00 -2.33 0.00 0.00 43.42 40.57 2r3s n LEU 101 CO 0.36 0.77 1.03 -0.24 -1.33 0.00 0.00 177.39 177.97 2r3s n SER 102 N -0.33 3.15 -2.32 -1.43 2.88 -0.44 -4.81 113.62 110.32 2r3s n SER 102 Ca 0.28 1.12 -0.00 0.00 -1.33 0.00 0.00 58.87 58.94 2r3s n SER 102 Cb 1.07 -1.58 -0.00 0.00 -0.75 0.00 0.00 64.21 62.95 2r3s n SER 102 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2r3s n PRO 103 N -0.13 0.05 0.00 -1.46 -0.02 -1.26 -1.18 135.00 130.99 2r3s n PRO 103 Ca 0.05 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2r3s n PRO 103 Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 2r3s n PRO 103 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2r3s n ILE 105 N 2.65 0.00 -0.05 4.25 2.08 -1.26 -0.59 119.36 126.44 2r3s n ILE 105 Ca 0.01 0.00 -0.05 0.00 0.56 0.00 0.00 62.75 63.27 2r3s n ILE 105 Cb 0.02 0.00 0.15 0.00 -0.75 0.00 0.00 39.64 39.06 2r3s n ILE 105 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 2r3s h THR 106 N 0.00 1.26 -0.93 1.39 1.35 -1.42 -2.75 112.91 111.81 2r3s h THR 106 Ca 0.00 -1.23 0.21 0.00 -0.55 0.00 0.00 66.41 64.84 2r3s h THR 106 Cb 0.00 1.19 -0.12 0.00 -1.73 0.00 0.00 68.15 67.50 2r3s h THR 106 CO 0.00 0.41 0.48 0.78 -0.25 0.00 0.00 175.52 176.94 2r3s h ASN 107 N 0.59 0.51 -0.92 5.36 2.35 -1.09 -1.15 115.58 121.24 2r3s h ASN 107 Ca 0.09 0.13 0.12 0.00 -0.55 0.00 0.00 56.30 56.09 2r3s h ASN 107 Cb 0.64 0.06 -0.08 0.00 0.05 0.00 0.00 38.32 38.99 2r3s h ASN 107 CO 0.05 0.10 0.54 1.23 -1.65 0.00 0.00 177.43 177.70 2r3s h GLY 108 N 0.53 1.48 1.98 2.83 0.00 -1.69 -2.37 103.07 105.84 2r3s h GLY 108 Ca 0.57 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 2r3s h GLY 108 CO -0.47 0.10 -0.40 0.74 0.00 0.00 0.00 176.54 176.52 2r3s h PHE 109 N 0.85 0.00 -0.18 5.60 -1.00 -1.31 -3.13 116.94 117.77 2r3s h PHE 109 Ca 0.46 0.00 0.05 0.00 2.81 0.00 0.00 57.97 61.29 2r3s h PHE 109 Cb 0.50 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 2r3s h PHE 109 CO -0.04 0.38 0.15 -0.91 -1.61 0.00 0.00 178.31 176.29 2r3s h ASN 110 N 0.00 0.00 -1.33 2.17 2.35 -0.82 -2.71 115.58 115.24 2r3s h ASN 110 Ca -0.01 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.22 2r3s h ASN 110 Cb 1.30 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.25 2r3s h ASN 110 CO 0.05 0.00 -0.87 -0.90 -1.65 0.00 0.00 177.43 174.06 2r3s n ASP 111 N -4.14 3.79 -0.15 5.81 5.68 -1.18 -4.84 116.55 121.51 2r3s n ASP 111 Ca 0.01 -3.42 0.02 0.00 -0.50 0.00 0.00 54.79 50.90 2r3s n ASP 111 Cb 0.28 -0.47 0.30 0.00 -1.14 0.00 0.00 41.12 40.09 2r3s n ASP 111 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 2r3s h LEU 112 N 2.68 0.73 -0.74 -2.12 5.85 -1.47 -1.95 115.31 118.29 2r3s h LEU 112 Ca 0.19 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.95 2r3s h LEU 112 Cb 1.02 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.81 2r3s h LEU 112 CO 0.74 0.53 0.43 0.74 -0.34 0.00 0.00 178.44 180.54 2r3s h THR 113 N 0.87 0.99 -0.55 1.05 2.02 -1.88 -0.77 112.91 114.64 2r3s h THR 113 Ca 0.24 -0.27 -0.11 0.00 0.77 0.00 0.00 66.41 67.04 2r3s h THR 113 Cb -0.09 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.44 2r3s h THR 113 CO -0.05 0.14 -0.10 0.00 0.37 0.00 0.00 175.52 175.88 2r3s h ALA 114 N 1.37 0.78 -0.62 6.16 0.00 -1.77 -2.37 119.26 122.81 2r3s h ALA 114 Ca 0.33 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2r3s h ALA 114 Cb 0.19 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2r3s h ALA 114 CO -0.18 0.67 0.39 0.00 0.00 0.00 0.00 179.25 180.13 2r3s h ALA 115 N 0.96 0.81 -0.51 0.00 0.00 -0.84 -0.09 119.26 119.58 2r3s h ALA 115 Ca 0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2r3s h ALA 115 Cb 0.66 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2r3s h ALA 115 CO 0.05 0.16 0.17 0.28 0.00 0.00 0.00 179.25 179.90 2r3s h VAL 116 N 0.78 1.23 -0.50 0.00 2.07 -0.89 0.58 116.25 119.52 2r3s h VAL 116 Ca 0.25 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 2r3s h VAL 116 Cb -0.01 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2r3s h VAL 116 CO -0.09 0.28 0.17 -0.07 0.02 0.00 0.00 177.57 177.87 2r3s h LEU 117 N 0.70 0.72 -0.11 2.57 3.38 -1.25 -3.28 115.31 118.04 2r3s h LEU 117 Ca 0.17 -0.20 -0.24 0.00 0.09 0.00 0.00 57.88 57.70 2r3s h LEU 117 Cb 0.26 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.83 2r3s h LEU 117 CO -0.01 0.72 -0.97 0.50 0.09 0.00 0.00 178.44 178.77 2r3s h LYS 118 N 0.67 0.54 0.00 1.13 3.64 -0.73 -3.48 116.57 118.34 2r3s h LYS 118 Ca 0.16 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 2r3s h LYS 118 Cb 0.26 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2r3s h LYS 118 CO -0.01 1.20 0.00 0.41 -2.27 0.00 0.00 179.45 178.78 2r3s n GLY 119 N 0.99 1.48 0.00 5.01 0.00 0.20 -5.02 105.19 107.84 2r3s n GLY 119 Ca -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2r3s n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r3s n GLY 120 N -1.10 1.73 3.73 -0.02 0.00 -0.94 -4.71 105.19 103.88 2r3s n GLY 120 Ca 0.00 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 2r3s n GLY 120 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2r3s n THR 121 N -0.89 1.05 1.67 2.61 5.66 -0.29 -4.30 114.28 119.79 2r3s n THR 121 Ca 0.00 -0.26 0.11 0.00 -3.05 0.00 0.00 64.05 60.85 2r3s n THR 121 Cb 0.00 -1.89 0.53 0.00 -1.55 0.00 0.00 70.33 67.42 2r3s n THR 121 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2r3s n ALA 122 N 2.04 2.58 -1.57 1.79 0.00 -1.26 -4.82 120.51 119.27 2r3s n ALA 122 Ca 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2r3s n ALA 122 Cb 0.36 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2r3s n ALA 122 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2r3s n ILE 123 N -0.32 0.00 0.01 0.00 2.08 -1.26 -5.02 119.36 114.85 2r3s n ILE 123 Ca 0.16 0.00 0.01 0.00 0.56 0.00 0.00 62.75 63.48 2r3s n ILE 123 Cb 0.19 -0.35 -0.01 0.00 -0.75 0.00 0.00 39.64 38.73 2r3s n ILE 123 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2r3s n THR 128 N -0.10 0.00 0.69 1.39 -2.24 -1.13 -5.12 114.28 107.76 2r3s n THR 128 Ca 0.00 -0.13 0.05 0.00 -2.27 0.00 0.00 64.05 61.70 2r3s n THR 128 Cb 0.00 0.58 0.16 0.00 -2.10 0.00 0.00 70.33 68.97 2r3s n THR 128 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2r3s n LEU 129 N -1.44 2.22 -4.72 3.22 4.77 -1.26 -4.55 117.00 115.23 2r3s n LEU 129 Ca -0.00 -1.11 -0.39 0.00 -0.03 0.00 0.00 56.01 54.48 2r3s n LEU 129 Cb 0.03 -0.33 0.04 0.00 -2.33 0.00 0.00 43.42 40.83 2r3s n LEU 129 CO 0.03 0.44 0.92 -1.20 -1.33 0.00 0.00 177.39 176.25 2r3s n SER 130 N 0.43 2.43 -4.69 -1.43 7.64 -1.26 -4.86 113.62 111.88 2r3s n SER 130 Ca 0.12 0.97 -0.52 0.00 1.01 0.00 0.00 58.87 60.45 2r3s n SER 130 Cb 0.40 -1.55 -0.06 0.00 -1.01 0.00 0.00 64.21 62.00 2r3s n SER 130 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2r3s n PRO 131 N -0.93 1.78 -3.43 1.43 -0.02 -1.26 -2.45 135.00 130.11 2r3s n PRO 131 Ca 0.11 0.65 -0.19 0.00 -2.02 0.00 0.00 63.50 62.04 2r3s n PRO 131 Cb 0.44 -2.45 0.08 0.00 -0.02 0.00 0.00 33.50 31.56 2r3s n PRO 131 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2r3s n GLU 132 N 6.26 -6.82 -1.90 -0.52 2.13 -1.26 -4.92 120.64 113.60 2r3s n GLU 132 Ca 0.25 0.78 -0.42 0.00 0.66 0.00 0.00 57.16 58.43 2r3s n GLU 132 Cb 0.23 -5.65 -0.03 0.00 0.27 0.00 0.00 31.44 26.26 2r3s n GLU 132 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2r3s s HIS 133 N -3.32 2.86 -1.30 4.31 2.46 -1.03 -4.89 115.29 114.38 2r3s s HIS 133 Ca 0.27 0.50 0.17 0.00 0.47 0.00 0.00 55.06 56.48 2r3s s HIS 133 Cb -0.12 -3.97 0.84 0.00 -0.13 0.00 0.00 32.58 29.20 2r3s s HIS 133 CO 0.68 -3.66 1.53 -0.35 -2.47 0.00 0.00 174.74 170.47 2r3s n PRO 134 N 4.42 0.18 0.26 2.88 -0.04 -1.26 -2.13 135.00 139.31 2r3s n PRO 134 Ca 0.15 0.15 0.14 0.00 -0.04 0.00 0.00 63.50 63.89 2r3s n PRO 134 Cb 0.39 -1.50 0.71 0.00 -0.04 0.00 0.00 33.50 33.06 2r3s n PRO 134 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2r3s h VAL 135 N 0.00 0.44 0.00 0.52 3.04 -1.95 -2.63 116.25 115.67 2r3s h VAL 135 Ca 0.00 -0.61 -0.09 0.00 -1.01 0.00 0.00 66.70 64.99 2r3s h VAL 135 Cb 0.20 1.42 -0.01 0.00 -2.01 0.00 0.00 31.29 30.89 2r3s h VAL 135 CO 0.00 0.11 -0.44 -0.50 -1.01 0.00 0.00 177.57 175.73 2r3s h TRP 136 N 0.00 0.00 -0.30 3.17 -0.00 -1.81 0.11 115.95 117.12 2r3s h TRP 136 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.89 58.79 2r3s h TRP 136 Cb 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.56 2r3s h TRP 136 CO 0.00 0.44 -0.23 0.28 -0.00 0.00 0.00 178.44 178.93 2r3s h VAL 137 N 0.00 1.27 -0.32 1.49 2.07 -1.65 -2.23 116.25 116.88 2r3s h VAL 137 Ca -0.00 -1.27 -0.14 0.00 0.82 0.00 0.00 66.70 66.10 2r3s h VAL 137 Cb 1.04 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 2r3s h VAL 137 CO 0.06 0.41 -0.37 1.56 0.02 0.00 0.00 177.57 179.25 2r3s h GLN 138 N 0.51 0.74 -0.22 1.57 4.20 -1.27 -2.22 115.11 118.42 2r3s h GLN 138 Ca 0.07 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.41 2r3s h GLN 138 Cb 0.68 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 2r3s h GLN 138 CO 0.05 0.99 0.14 0.35 -0.67 0.00 0.00 178.83 179.70 2r3s h PHE 139 N 0.62 0.28 -0.87 2.96 3.04 -0.70 -1.12 116.94 121.15 2r3s h PHE 139 Ca 0.06 0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.04 2r3s h PHE 139 Cb 0.91 -0.10 -0.05 0.00 2.56 0.00 0.00 35.95 39.28 2r3s h PHE 139 CO 0.05 0.20 0.56 0.00 -2.02 0.00 0.00 178.31 177.10 2r3s h ALA 140 N 1.07 1.14 0.07 2.41 0.00 -1.30 -2.93 119.26 119.72 2r3s h ALA 140 Ca 0.08 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 2r3s h ALA 140 Cb -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.47 2r3s h ALA 140 CO -0.02 0.42 -1.09 0.87 0.00 0.00 0.00 179.25 179.43 2r3s h LYS 141 N 1.10 0.34 -0.93 0.00 1.57 -1.30 -3.36 116.57 114.00 2r3s h LYS 141 Ca 0.34 -0.46 -0.41 0.00 -1.87 0.00 0.00 60.65 58.26 2r3s h LYS 141 Cb -0.01 0.15 -0.25 0.00 0.08 0.00 0.00 32.23 32.20 2r3s h LYS 141 CO -0.11 1.16 0.52 0.00 -0.57 0.00 0.00 179.45 180.45 2r3s n ALA 142 N -2.54 5.20 0.00 3.86 0.00 -0.43 -4.84 120.51 121.76 2r3s n ALA 142 Ca -0.08 -2.62 0.00 0.00 0.00 0.00 0.00 53.44 50.74 2r3s n ALA 142 Cb 0.93 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2r3s n ALA 142 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2r3s n SER 144 N -0.79 0.00 -3.82 0.00 3.41 -1.26 -3.85 113.62 107.32 2r3s n SER 144 Ca 0.52 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.86 2r3s n SER 144 Cb 1.55 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 65.42 2r3s n SER 144 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2r3s n PRO 145 N 0.00 0.02 0.00 4.33 -0.02 -1.26 -4.87 135.00 133.19 2r3s n PRO 145 Ca 0.00 -0.84 0.00 0.00 -2.02 0.00 0.00 63.50 60.64 2r3s n PRO 145 Cb 0.00 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 2r3s n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2r3s n ALA 148 N 9.38 0.00 -0.04 3.55 0.00 -1.26 -5.05 120.51 127.10 2r3s n ALA 148 Ca 0.33 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.63 2r3s n ALA 148 Cb 0.40 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.73 2r3s n ALA 148 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2r3s h ASN 149 N 0.91 -0.00 -0.85 0.00 -1.24 -2.00 -2.61 115.58 109.78 2r3s h ASN 149 Ca 0.00 -0.71 0.17 0.00 0.71 0.00 0.00 56.30 56.47 2r3s h ASN 149 Cb 0.00 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 38.95 2r3s h ASN 149 CO 0.00 0.71 0.41 -0.65 -1.29 0.00 0.00 177.43 176.61 2r3s h PRO 150 N -0.72 0.52 -0.71 6.67 0.11 -1.96 -0.70 132.00 135.21 2r3s h PRO 150 Ca -0.00 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.13 2r3s h PRO 150 Cb 0.71 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 31.65 2r3s h PRO 150 CO 0.00 0.34 0.42 0.00 -0.21 0.00 0.00 178.00 178.56 2r3s h ALA 151 N 1.60 0.95 -0.54 -0.75 0.00 -1.87 0.43 119.26 119.08 2r3s h ALA 151 Ca 0.49 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.30 2r3s h ALA 151 Cb 0.78 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2r3s h ALA 151 CO -0.42 0.15 -0.04 1.96 0.00 0.00 0.00 179.25 180.90 2r3s h GLN 152 N 0.80 0.98 -0.17 0.00 1.08 -0.91 -1.51 115.11 115.39 2r3s h GLN 152 Ca 0.30 -0.33 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2r3s h GLN 152 Cb 0.12 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 2r3s h GLN 152 CO -0.15 1.01 0.08 -0.07 -0.95 0.00 0.00 178.83 178.75 2r3s h LEU 153 N 0.86 0.21 -1.01 1.46 3.38 -0.66 0.29 115.31 119.84 2r3s h LEU 153 Ca 0.15 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2r3s h LEU 153 Cb 0.59 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2r3s h LEU 153 CO 0.04 0.26 0.15 0.40 0.09 0.00 0.00 178.44 179.38 2r3s h ILE 154 N 0.15 1.23 -0.50 1.22 2.04 -0.89 0.44 117.51 121.20 2r3s h ILE 154 Ca 0.06 -0.81 -0.08 0.00 1.00 0.00 0.00 64.86 65.03 2r3s h ILE 154 Cb 0.10 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2r3s h ILE 154 CO -0.01 0.30 -0.02 0.00 0.00 0.00 0.00 178.15 178.43 2r3s h ALA 155 N 1.33 1.03 0.08 1.87 0.00 -1.03 -1.29 119.26 121.25 2r3s h ALA 155 Ca 0.18 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2r3s h ALA 155 Cb 0.28 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2r3s h ALA 155 CO -0.00 0.60 -0.05 -0.56 0.00 0.00 0.00 179.25 179.23 2r3s h GLN 156 N 0.78 -0.13 -0.71 0.00 -0.00 0.54 -2.99 115.11 112.62 2r3s h GLN 156 Ca 0.15 0.01 0.05 0.00 -0.00 0.00 0.00 58.65 58.85 2r3s h GLN 156 Cb 0.50 0.03 -0.04 0.00 -0.00 0.00 0.00 27.48 27.96 2r3s h GLN 156 CO 0.02 -0.08 0.47 1.25 -0.00 0.00 0.00 178.83 180.49 2r3s h LEU 157 N -0.13 0.70 0.00 0.06 5.85 0.40 -3.04 115.31 119.15 2r3s h LEU 157 Ca -0.01 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 2r3s h LEU 157 Cb 0.11 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2r3s h LEU 157 CO 0.01 0.47 -1.24 -0.37 -0.34 0.00 0.00 178.44 176.98 2r3s h VAL 158 N 0.81 0.35 -2.99 1.05 -1.51 -1.29 -3.49 116.25 109.18 2r3s h VAL 158 Ca 0.29 -1.69 -0.57 0.00 -1.23 0.00 0.00 66.70 63.51 2r3s h VAL 158 Cb 0.14 1.88 -0.04 0.00 -2.13 0.00 0.00 31.29 31.14 2r3s h VAL 158 CO -0.09 0.20 0.94 0.21 -1.23 0.00 0.00 177.57 177.60 2r3s s ASN 159 N -5.69 6.82 0.00 4.19 2.47 -1.13 -5.12 114.94 116.49 2r3s s ASN 159 Ca -0.02 1.51 0.00 0.00 0.42 0.00 0.00 52.86 54.77 2r3s s ASN 159 Cb 0.09 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.35 2r3s s ASN 159 CO 0.80 -0.90 0.00 -0.62 -3.72 0.00 0.00 177.10 172.66 2r3s n GLU 160 N 6.91 0.00 -2.51 0.43 1.02 -1.26 -5.05 120.64 120.19 2r3s n GLU 160 Ca 0.14 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.86 2r3s n GLU 160 Cb 0.45 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.85 2r3s n GLU 160 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 2r3s s PRO 165 N -0.06 3.41 0.29 3.49 0.02 -1.26 -5.12 135.00 135.78 2r3s s PRO 165 Ca 0.00 0.29 -0.11 0.00 0.02 0.00 0.00 61.00 61.19 2r3s s PRO 165 Cb 0.00 -4.07 -0.08 0.00 0.02 0.00 0.00 34.50 30.38 2r3s s PRO 165 CO 0.00 -1.81 0.65 -0.51 -0.33 0.00 0.00 177.00 175.00 2r3s s LEU 166 N 5.42 4.07 -0.22 -5.54 1.43 -1.24 -4.93 118.68 117.67 2r3s s LEU 166 Ca 0.46 1.07 0.02 0.00 -1.03 0.00 0.00 54.13 54.65 2r3s s LEU 166 Cb -0.09 -3.87 0.04 0.00 0.03 0.00 0.00 46.19 42.31 2r3s s LEU 166 CO 0.24 -0.18 -0.13 -0.75 0.23 0.00 0.00 176.35 175.77 2r3s s LYS 167 N -3.08 2.34 -0.14 1.70 2.20 -1.26 -0.98 119.74 120.52 2r3s s LYS 167 Ca 0.50 -1.04 -0.01 0.00 -0.36 0.00 0.00 55.97 55.06 2r3s s LYS 167 Cb -0.11 -2.64 -0.02 0.00 -1.51 0.00 0.00 37.83 33.55 2r3s s LYS 167 CO 0.22 -0.43 -0.10 0.08 -0.36 0.00 0.00 175.35 174.76 2r3s s VAL 168 N 1.25 3.31 -0.21 4.02 1.01 -0.01 -0.96 120.40 128.82 2r3s s VAL 168 Ca -0.03 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 2r3s s VAL 168 Cb -0.17 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 2r3s s VAL 168 CO -0.08 0.51 0.11 -0.22 0.00 0.00 0.00 175.10 175.41 2r3s s LEU 169 N 0.44 3.98 -0.39 3.92 2.96 -0.49 -0.44 118.68 128.67 2r3s s LEU 169 Ca -0.08 0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.90 2r3s s LEU 169 Cb -0.15 -2.03 0.09 0.00 0.50 0.00 0.00 46.19 44.59 2r3s s LEU 169 CO 0.04 0.13 0.17 -0.62 -1.32 0.00 0.00 176.35 174.76 2r3s s ASP 170 N 0.62 5.27 -0.18 3.68 2.15 -0.70 0.17 116.67 127.69 2r3s s ASP 170 Ca 0.06 -1.73 -0.21 0.00 0.43 0.00 0.00 52.55 51.10 2r3s s ASP 170 Cb -0.12 -1.84 -0.03 0.00 -0.30 0.00 0.00 42.92 40.62 2r3s s ASP 170 CO 0.01 -0.48 0.62 -0.63 -0.17 0.00 0.00 175.17 174.52 2r3s s ILE 171 N 1.24 5.03 -1.03 4.11 1.01 -0.54 -1.20 121.20 129.82 2r3s s ILE 171 Ca 0.04 1.19 -0.04 0.00 0.00 0.00 0.00 60.65 61.84 2r3s s ILE 171 Cb -0.22 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 2r3s s ILE 171 CO -0.02 0.14 0.89 -1.54 0.00 0.00 0.00 174.94 174.41 2r3s n SER 172 N 4.85 -5.41 0.16 3.58 3.41 0.74 -4.26 113.62 116.69 2r3s n SER 172 Ca -0.02 -0.65 0.14 0.00 -0.26 0.00 0.00 58.87 58.08 2r3s n SER 172 Cb 0.50 -4.96 0.70 0.00 -0.26 0.00 0.00 64.21 60.19 2r3s n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2r3s h ALA 173 N 0.14 2.12 -0.72 7.33 0.00 -1.44 -3.45 119.26 123.24 2r3s h ALA 173 Ca -0.57 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2r3s h ALA 173 Cb 1.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2r3s h ALA 173 CO 0.43 -0.27 0.00 0.45 0.00 0.00 0.00 179.25 179.86 2r3s n SER 174 N -4.34 0.00 0.10 0.00 2.88 -1.26 0.94 113.62 111.93 2r3s n SER 174 Ca 0.02 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.63 2r3s n SER 174 Cb 0.30 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 64.12 2r3s n SER 174 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2r3s n HIS 175 N 14.00 0.44 -0.99 0.66 -0.00 -1.26 -3.58 115.22 124.49 2r3s n HIS 175 Ca 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 57.72 57.95 2r3s n HIS 175 Cb 0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 29.99 29.12 2r3s n HIS 175 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2r3s n GLY 176 N -1.37 0.78 0.24 -1.39 0.00 0.27 -3.98 105.19 99.75 2r3s n GLY 176 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 2r3s n GLY 176 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2r3s h LEU 177 N 0.00 0.00 0.19 0.99 3.38 -1.90 -1.57 115.31 116.40 2r3s h LEU 177 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2r3s h LEU 177 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2r3s h LEU 177 CO 0.00 0.17 -0.09 -0.26 0.09 0.00 0.00 178.44 178.35 2r3s h PHE 178 N 0.00 -0.23 -0.73 1.13 0.04 -1.90 -1.60 116.94 113.65 2r3s h PHE 178 Ca -0.00 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.79 2r3s h PHE 178 Cb 0.49 0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.68 2r3s h PHE 178 CO 0.00 0.18 0.47 0.78 -0.60 0.00 0.00 178.31 179.14 2r3s h GLY 179 N -0.82 1.05 0.86 -1.45 0.00 -1.92 -2.75 103.07 98.04 2r3s h GLY 179 Ca -0.03 -0.36 0.04 0.00 0.00 0.00 0.00 47.33 46.98 2r3s h GLY 179 CO 0.04 0.32 0.61 -2.22 0.00 0.00 0.00 176.54 175.29 2r3s h ILE 180 N 0.93 1.15 -0.29 2.60 2.04 -1.30 -2.23 117.51 120.40 2r3s h ILE 180 Ca 0.29 -0.40 -0.12 0.00 1.00 0.00 0.00 64.86 65.62 2r3s h ILE 180 Cb -0.02 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 35.92 2r3s h ILE 180 CO -0.09 0.21 -0.32 0.00 0.00 0.00 0.00 178.15 177.95 2r3s h ALA 181 N 1.39 0.89 -0.31 1.87 0.00 -1.08 0.23 119.26 122.25 2r3s h ALA 181 Ca 0.38 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2r3s h ALA 181 Cb 0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2r3s h ALA 181 CO -0.13 0.63 0.09 0.28 0.00 0.00 0.00 179.25 180.11 2r3s h VAL 182 N 0.53 0.88 -0.06 0.00 2.07 -1.15 -1.83 116.25 116.70 2r3s h VAL 182 Ca 0.06 -0.07 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 2r3s h VAL 182 Cb 0.81 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2r3s h VAL 182 CO 0.07 0.04 -0.43 0.00 0.02 0.00 0.00 177.57 177.27 2r3s h ALA 183 N 1.22 1.19 -0.67 1.67 0.00 -0.98 0.26 119.26 121.94 2r3s h ALA 183 Ca 0.14 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.70 2r3s h ALA 183 Cb 0.14 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2r3s h ALA 183 CO -0.17 0.57 0.38 0.37 0.00 0.00 0.00 179.25 180.41 2r3s h GLN 184 N 0.10 0.70 0.00 0.00 4.15 -0.08 -3.19 115.11 116.79 2r3s h GLN 184 Ca 0.01 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.32 2r3s h GLN 184 Cb 0.80 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 2r3s h GLN 184 CO 0.06 0.46 -1.33 0.72 -1.93 0.00 0.00 178.83 176.82 2r3s n HIS 185 N -4.76 0.79 -3.94 3.99 8.25 -0.73 -4.70 115.22 114.12 2r3s n HIS 185 Ca 0.08 0.24 -0.30 0.00 -0.26 0.00 0.00 57.72 57.48 2r3s n HIS 185 Cb 0.15 -0.93 -0.14 0.00 1.12 0.00 0.00 29.99 30.20 2r3s n HIS 185 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2r3s s ASN 186 N -5.35 4.38 0.00 0.41 0.02 0.87 -4.99 114.94 110.27 2r3s s ASN 186 Ca -0.03 -3.05 0.07 0.00 -1.02 0.00 0.00 52.86 48.84 2r3s s ASN 186 Cb 0.10 -1.65 0.36 0.00 0.02 0.00 0.00 41.25 40.08 2r3s s ASN 186 CO 0.82 -0.23 1.12 -2.65 0.02 0.00 0.00 177.10 176.17 2r3s n PRO 187 N 3.07 0.09 0.00 -0.60 -0.02 -1.26 -0.98 135.00 135.30 2r3s n PRO 187 Ca 0.06 0.24 0.06 0.00 -2.02 0.00 0.00 63.50 61.84 2r3s n PRO 187 Cb 0.32 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.34 2r3s n PRO 187 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2r3s n ASN 188 N -1.32 1.85 -4.75 2.55 5.03 -1.26 -5.00 115.26 112.36 2r3s n ASN 188 Ca 0.03 -1.43 -0.41 0.00 0.87 0.00 0.00 54.58 53.65 2r3s n ASN 188 Cb 0.06 0.07 -0.03 0.00 -1.02 0.00 0.00 39.78 38.86 2r3s n ASN 188 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2r3s s ALA 189 N -1.03 3.45 -0.14 5.41 0.00 -0.15 -3.60 121.76 125.70 2r3s s ALA 189 Ca 0.13 1.02 -0.02 0.00 0.00 0.00 0.00 51.96 53.09 2r3s s ALA 189 Cb 0.09 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 2r3s s ALA 189 CO 0.16 -0.36 -0.08 -1.21 0.00 0.00 0.00 175.76 174.26 2r3s s GLU 190 N -1.15 3.52 -0.12 0.00 0.41 -0.15 -4.87 118.70 116.34 2r3s s GLU 190 Ca 0.49 -0.61 -0.01 0.00 -0.41 0.00 0.00 54.97 54.43 2r3s s GLU 190 Cb -0.35 -2.78 -0.02 0.00 -1.78 0.00 0.00 34.13 29.21 2r3s s GLU 190 CO 0.43 0.21 -0.09 0.42 -0.49 0.00 0.00 175.26 175.75 2r3s s ILE 191 N 0.39 3.47 -0.38 -1.63 -1.09 -0.18 -0.83 121.20 120.96 2r3s s ILE 191 Ca -0.07 -0.53 0.04 0.00 -2.23 0.00 0.00 60.65 57.86 2r3s s ILE 191 Cb -0.15 -2.46 0.11 0.00 -1.58 0.00 0.00 42.46 38.37 2r3s s ILE 191 CO 0.04 0.54 0.09 -0.36 -1.23 0.00 0.00 174.94 174.02 2r3s s PHE 192 N -0.01 3.61 -0.03 3.97 0.40 0.42 0.01 117.98 126.34 2r3s s PHE 192 Ca -0.01 -3.02 -0.30 0.00 -0.60 0.00 0.00 56.93 52.99 2r3s s PHE 192 Cb -0.14 -2.88 -0.03 0.00 0.51 0.00 0.00 43.02 40.48 2r3s s PHE 192 CO 0.03 -0.91 1.02 0.20 0.70 0.00 0.00 175.22 176.27 2r3s s GLY 193 N 0.66 2.67 -0.21 4.36 0.00 0.15 -1.72 107.32 113.23 2r3s s GLY 193 Ca 0.12 0.53 -0.03 0.00 0.00 0.00 0.00 44.72 45.34 2r3s s GLY 193 CO -0.07 1.81 -0.06 0.14 0.00 0.00 0.00 173.10 174.93 2r3s s VAL 194 N 1.35 3.29 0.16 1.40 1.01 -0.34 -0.62 120.40 126.64 2r3s s VAL 194 Ca 0.52 -0.52 -0.23 0.00 0.00 0.00 0.00 61.98 61.75 2r3s s VAL 194 Cb -0.21 -2.49 0.08 0.00 0.00 0.00 0.00 36.38 33.76 2r3s s VAL 194 CO 0.25 0.44 1.08 -0.62 0.00 0.00 0.00 175.10 176.25 2r3s s ASP 195 N 1.37 0.01 0.59 3.32 -1.08 -1.21 -0.18 116.67 119.49 2r3s s ASP 195 Ca 0.04 -0.62 -0.19 0.00 -0.52 0.00 0.00 52.55 51.27 2r3s s ASP 195 Cb -0.14 0.45 -0.03 0.00 -1.46 0.00 0.00 42.92 41.73 2r3s s ASP 195 CO -0.03 -0.89 1.19 0.26 0.52 0.00 0.00 175.17 176.22 2r3s s TRP 196 N -2.10 2.43 0.25 -5.34 0.52 -1.25 -1.42 118.94 112.02 2r3s s TRP 196 Ca 0.23 1.52 -0.04 0.00 0.02 0.00 0.00 56.10 57.84 2r3s s TRP 196 Cb -0.02 -3.44 0.49 0.00 -1.15 0.00 0.00 33.47 29.35 2r3s s TRP 196 CO 0.05 -2.11 1.70 0.00 0.02 0.00 0.00 176.95 176.60 2r3s h ALA 197 N 0.85 1.03 -0.43 0.98 0.00 -1.89 -0.34 119.26 119.46 2r3s h ALA 197 Ca -0.50 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 2r3s h ALA 197 Cb 1.29 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 2r3s h ALA 197 CO 0.55 -0.31 -0.09 0.66 0.00 0.00 0.00 179.25 180.06 2r3s h SER 198 N 0.32 0.73 -0.27 0.00 4.64 -2.00 -2.76 113.55 114.21 2r3s h SER 198 Ca 0.43 -0.21 -0.11 0.00 -0.47 0.00 0.00 61.79 61.44 2r3s h SER 198 Cb 0.73 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2r3s h SER 198 CO -0.49 0.85 -0.25 0.58 -0.87 0.00 0.00 176.83 176.66 2r3s h VAL 199 N 0.68 1.31 -0.27 0.95 2.07 -1.67 -3.10 116.25 116.22 2r3s h VAL 199 Ca 0.12 -1.41 0.08 0.00 0.82 0.00 0.00 66.70 66.31 2r3s h VAL 199 Cb 0.55 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2r3s h VAL 199 CO 0.03 0.45 0.32 -0.07 0.02 0.00 0.00 177.57 178.32 2r3s h LEU 200 N 0.39 0.00 -1.28 2.57 3.38 -0.82 -1.16 115.31 118.38 2r3s h LEU 200 Ca 0.05 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2r3s h LEU 200 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2r3s h LEU 200 CO 0.06 0.00 -0.34 -0.33 0.09 0.00 0.00 178.44 177.92 2r3s h GLU 201 N 0.00 0.00 -0.28 1.13 4.39 -1.43 0.72 114.58 119.11 2r3s h GLU 201 Ca 0.13 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.70 2r3s h GLU 201 Cb 0.76 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2r3s h GLU 201 CO -0.00 0.34 -0.31 0.28 -1.16 0.00 0.00 179.01 178.16 2r3s h VAL 202 N 0.00 1.30 0.01 3.13 2.07 -1.35 -2.14 116.25 119.27 2r3s h VAL 202 Ca -0.00 -1.48 0.01 0.00 0.82 0.00 0.00 66.70 66.05 2r3s h VAL 202 Cb 0.67 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 2r3s h VAL 202 CO 0.04 0.47 -0.08 0.00 0.02 0.00 0.00 177.57 178.03 2r3s h ALA 203 N 0.70 -0.10 -0.95 1.67 0.00 -1.41 -0.79 119.26 118.38 2r3s h ALA 203 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2r3s h ALA 203 Cb 0.88 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 2r3s h ALA 203 CO 0.08 -0.58 0.57 0.87 0.00 0.00 0.00 179.25 180.19 2r3s h LYS 204 N -0.15 1.28 -0.39 0.00 1.57 -0.92 0.41 116.57 118.38 2r3s h LYS 204 Ca 0.03 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2r3s h LYS 204 Cb 0.19 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2r3s h LYS 204 CO -0.08 0.89 0.19 1.49 -0.57 0.00 0.00 179.45 181.38 2r3s h GLU 205 N 1.31 0.55 -0.66 3.15 4.57 -1.12 -1.38 114.58 121.00 2r3s h GLU 205 Ca 0.34 -0.08 -0.07 0.00 -1.18 0.00 0.00 59.36 58.38 2r3s h GLU 205 Cb -0.06 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.40 2r3s h GLU 205 CO -0.06 0.48 0.15 -0.91 -1.18 0.00 0.00 179.01 177.49 2r3s h ASN 206 N 0.49 1.01 -0.23 1.04 2.35 -0.66 -0.62 115.58 118.96 2r3s h ASN 206 Ca 0.13 -0.24 0.06 0.00 -0.55 0.00 0.00 56.30 55.70 2r3s h ASN 206 Cb 0.10 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 38.14 2r3s h ASN 206 CO -0.02 0.99 -0.20 0.00 -1.65 0.00 0.00 177.43 176.56 2r3s h ALA 207 N 1.06 -0.06 -0.57 -0.83 0.00 0.03 -1.44 119.26 117.45 2r3s h ALA 207 Ca 0.21 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2r3s h ALA 207 Cb 0.38 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2r3s h ALA 207 CO 0.00 -0.62 0.31 0.00 0.00 0.00 0.00 179.25 178.95 2r3s h ARG 208 N -0.20 0.79 -0.85 0.00 3.08 -1.11 -1.68 114.38 114.42 2r3s h ARG 208 Ca 0.13 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2r3s h ARG 208 Cb 0.40 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 2r3s h ARG 208 CO -0.35 0.61 0.54 0.82 -1.07 0.00 0.00 179.97 180.52 2r3s h ILE 209 N 0.77 1.23 -0.03 2.04 2.04 -0.73 -1.93 117.51 120.90 2r3s h ILE 209 Ca 0.20 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2r3s h ILE 209 Cb 0.04 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.12 2r3s h ILE 209 CO -0.03 0.23 0.00 0.00 0.00 0.00 0.00 178.15 178.35 2r3s n GLN 210 N -4.46 1.18 -1.88 2.37 1.13 -0.58 -4.91 117.38 110.24 2r3s n GLN 210 Ca 0.09 -0.27 -0.08 0.00 -1.94 0.00 0.00 57.00 54.80 2r3s n GLN 210 Cb 0.04 -1.36 -0.01 0.00 0.11 0.00 0.00 30.24 29.01 2r3s n GLN 210 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2r3s n GLY 211 N 0.92 0.32 0.23 1.08 0.00 -0.72 -4.93 105.19 102.10 2r3s n GLY 211 Ca 0.17 -0.60 0.07 0.00 0.00 0.00 0.00 46.02 45.66 2r3s n GLY 211 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2r3s n VAL 212 N -3.65 1.69 0.16 1.61 0.24 -0.68 -4.84 118.33 112.87 2r3s n VAL 212 Ca -0.09 -1.83 0.01 0.00 -2.04 0.00 0.00 64.34 60.39 2r3s n VAL 212 Cb 0.48 -0.02 0.28 0.00 -1.47 0.00 0.00 33.84 33.10 2r3s n VAL 212 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2r3s h ALA 213 N 0.45 1.21 0.00 2.33 0.00 -1.88 -2.09 119.26 119.28 2r3s h ALA 213 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2r3s h ALA 213 Cb 0.94 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2r3s h ALA 213 CO 0.04 0.59 0.00 0.66 0.00 0.00 0.00 179.25 180.53 2r3s h SER 214 N 0.03 0.00 -0.32 0.00 4.64 -1.94 -1.81 113.55 114.15 2r3s h SER 214 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2r3s h SER 214 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2r3s h SER 214 CO 0.06 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.56 2r3s n ARG 215 N -3.05 2.97 -3.93 4.77 1.74 -0.81 -4.93 116.66 113.42 2r3s n ARG 215 Ca 0.00 -2.49 -0.35 0.00 -0.77 0.00 0.00 57.85 54.23 2r3s n ARG 215 Cb 0.26 -1.59 -0.13 0.00 -1.02 0.00 0.00 32.46 29.98 2r3s n ARG 215 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2r3s s TYR 216 N -1.96 3.02 0.15 -1.55 5.04 -0.68 -1.01 117.35 120.36 2r3s s TYR 216 Ca 0.34 -0.63 0.08 0.00 -2.44 0.00 0.00 57.07 54.42 2r3s s TYR 216 Cb 0.24 -2.13 -0.04 0.00 0.35 0.00 0.00 41.96 40.38 2r3s s TYR 216 CO 0.13 -0.39 -0.17 -1.01 -1.34 0.00 0.00 175.55 172.77 2r3s s HIS 217 N 1.35 1.70 -0.01 4.97 3.76 0.10 -4.95 115.29 122.21 2r3s s HIS 217 Ca 0.04 -0.49 0.04 0.00 -0.15 0.00 0.00 55.06 54.50 2r3s s HIS 217 Cb -0.15 -0.86 -0.01 0.00 1.11 0.00 0.00 32.58 32.67 2r3s s HIS 217 CO 0.01 0.27 -0.12 0.95 -0.85 0.00 0.00 174.74 175.00 2r3s s THR 218 N -2.02 0.92 -0.31 1.30 -4.23 -1.26 0.33 115.64 110.37 2r3s s THR 218 Ca 0.13 -0.49 0.02 0.00 -1.18 0.00 0.00 61.69 60.17 2r3s s THR 218 Cb -0.06 -0.77 0.09 0.00 1.34 0.00 0.00 72.50 73.10 2r3s s THR 218 CO 0.05 0.26 0.02 -0.63 -0.54 0.00 0.00 174.62 173.79 2r3s s ILE 219 N -0.24 1.85 -0.09 2.99 1.01 0.20 -4.92 121.20 122.00 2r3s s ILE 219 Ca 0.04 -1.87 -0.26 0.00 0.00 0.00 0.00 60.65 58.56 2r3s s ILE 219 Cb -0.05 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 2r3s s ILE 219 CO -0.00 -0.46 0.83 0.00 0.00 0.00 0.00 174.94 175.31 2r3s s ALA 220 N 1.16 3.36 0.00 9.38 0.00 -1.26 -3.35 121.76 131.05 2r3s s ALA 220 Ca 0.05 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.22 2r3s s ALA 220 Cb -0.19 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2r3s s ALA 220 CO -0.11 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.71 2r3s n GLY 221 N 3.18 0.63 3.73 0.00 0.00 -0.51 -4.86 105.19 107.37 2r3s n GLY 221 Ca 0.03 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 2r3s n GLY 221 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2r3s s SER 222 N -4.00 7.14 0.62 1.61 0.15 -1.26 -3.74 113.70 114.22 2r3s s SER 222 Ca 0.00 2.11 0.31 0.00 0.70 0.00 0.00 55.95 59.07 2r3s s SER 222 Cb 0.00 -2.60 1.69 0.00 -1.71 0.00 0.00 66.02 63.41 2r3s s SER 222 CO 0.00 -0.36 2.04 0.00 1.20 0.00 0.00 173.24 176.12 2r3s h ALA 223 N 5.71 1.67 0.00 5.45 0.00 -1.94 -0.90 119.26 129.26 2r3s h ALA 223 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2r3s h ALA 223 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2r3s h ALA 223 CO 0.76 -0.36 -0.58 1.19 0.00 0.00 0.00 179.25 180.26 2r3s n PHE 224 N -3.46 0.30 0.00 0.00 3.72 -1.26 -4.55 117.46 112.21 2r3s n PHE 224 Ca 0.02 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 2r3s n PHE 224 Cb 0.39 -0.48 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 2r3s n PHE 224 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2r3s n GLU 225 N -1.84 0.69 -0.56 -1.08 -0.58 -0.57 -5.07 120.64 111.63 2r3s n GLU 225 Ca 0.04 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.49 2r3s n GLU 225 Cb 0.39 -0.93 0.22 0.00 -0.57 0.00 0.00 31.44 30.56 2r3s n GLU 225 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 2r3s n VAL 226 N -2.25 0.00 -3.81 2.62 0.24 -0.45 -4.99 118.33 109.69 2r3s n VAL 226 Ca 0.00 -0.27 -0.36 0.00 -2.04 0.00 0.00 64.34 61.67 2r3s n VAL 226 Cb 0.43 -0.99 -0.12 0.00 -1.47 0.00 0.00 33.84 31.69 2r3s n VAL 226 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2r3s s ASP 227 N -2.49 5.40 0.16 -1.34 1.01 -1.26 -4.99 116.67 113.15 2r3s s ASP 227 Ca 0.68 -0.10 0.07 0.00 0.71 0.00 0.00 52.55 53.91 2r3s s ASP 227 Cb -0.24 -1.96 -0.07 0.00 1.01 0.00 0.00 42.92 41.66 2r3s s ASP 227 CO 0.62 0.02 1.36 1.88 0.21 0.00 0.00 175.17 179.26 2r3s h TYR 228 N 7.85 0.02 0.00 4.23 0.05 -1.96 -3.50 116.97 123.66 2r3s h TYR 228 Ca -0.37 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.39 2r3s h TYR 228 Cb 1.18 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.91 2r3s h TYR 228 CO 0.66 0.91 0.00 0.41 -1.05 0.00 0.00 178.16 179.09 2r3s n GLY 229 N 1.07 -1.68 3.20 3.88 0.00 -1.26 -5.07 105.19 105.33 2r3s n GLY 229 Ca -0.01 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.30 2r3s n GLY 229 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2r3s s ASN 230 N -4.00 0.38 -0.75 1.61 -0.87 -1.26 -4.55 114.94 105.49 2r3s s ASN 230 Ca 0.00 -1.32 -0.02 0.00 -1.57 0.00 0.00 52.86 49.94 2r3s s ASN 230 Cb 0.00 0.32 0.00 0.00 -0.02 0.00 0.00 41.25 41.55 2r3s s ASN 230 CO 0.00 -0.78 0.64 0.47 -2.57 0.00 0.00 177.10 174.86 2r3s n ASP 231 N -0.24 -3.22 -4.68 -1.22 8.00 -0.66 -4.94 116.55 109.59 2r3s n ASP 231 Ca -0.01 -0.34 -0.40 0.00 0.71 0.00 0.00 54.79 54.75 2r3s n ASP 231 Cb 0.65 -3.20 -0.06 0.00 -0.02 0.00 0.00 41.12 38.49 2r3s n ASP 231 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2r3s s TYR 232 N -3.20 3.43 0.10 1.24 2.02 -0.39 -4.56 117.35 115.98 2r3s s TYR 232 Ca 0.16 0.95 -0.10 0.00 -0.37 0.00 0.00 57.07 57.71 2r3s s TYR 232 Cb -0.07 -2.75 -0.17 0.00 -0.40 0.00 0.00 41.96 38.57 2r3s s TYR 232 CO 0.43 -0.07 1.24 -0.44 -1.57 0.00 0.00 175.55 175.14 2r3s h ASP 233 N 7.24 0.77 -3.54 2.29 3.32 -1.39 -0.55 116.42 124.57 2r3s h ASP 233 Ca -0.35 -0.61 -0.40 0.00 0.02 0.00 0.00 57.03 55.69 2r3s h ASP 233 Cb 1.16 -0.24 -0.33 0.00 0.22 0.00 0.00 39.33 40.14 2r3s h ASP 233 CO 0.76 1.41 -0.77 -0.22 -1.72 0.00 0.00 179.24 178.70 2r3s s LEU 234 N -7.99 1.46 -0.15 1.55 2.96 -1.16 -0.61 118.68 114.75 2r3s s LEU 234 Ca -0.08 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 2r3s s LEU 234 Cb 0.08 -0.45 0.01 0.00 0.50 0.00 0.00 46.19 46.33 2r3s s LEU 234 CO 0.90 -0.03 -0.21 -0.69 -1.32 0.00 0.00 176.35 175.00 2r3s s VAL 235 N 0.71 2.09 -0.10 1.68 1.01 0.58 -1.39 120.40 124.98 2r3s s VAL 235 Ca -0.10 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.80 2r3s s VAL 235 Cb -0.13 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 2r3s s VAL 235 CO 0.00 0.55 0.28 -0.76 0.00 0.00 0.00 175.10 175.17 2r3s s LEU 236 N 0.89 4.36 -0.57 3.92 1.43 0.13 -0.39 118.68 128.45 2r3s s LEU 236 Ca -0.05 0.64 0.06 0.00 -1.03 0.00 0.00 54.13 53.75 2r3s s LEU 236 Cb -0.15 -2.34 0.23 0.00 0.03 0.00 0.00 46.19 43.96 2r3s s LEU 236 CO -0.04 0.27 0.61 0.18 0.23 0.00 0.00 176.35 177.60 2r3s n LEU 237 N 2.51 2.33 -4.64 1.79 4.77 0.59 -1.47 117.00 122.88 2r3s n LEU 237 Ca -0.15 -5.11 -0.42 0.00 -0.03 0.00 0.00 56.01 50.30 2r3s n LEU 237 Cb 0.53 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 2r3s n LEU 237 CO 0.36 1.99 0.68 -2.16 -1.33 0.00 0.00 177.39 176.93 2r3s s PRO 238 N -1.73 4.17 -1.31 3.23 0.05 -1.26 -2.52 135.00 135.63 2r3s s PRO 238 Ca 0.35 0.96 -0.03 0.00 0.05 0.00 0.00 61.00 62.34 2r3s s PRO 238 Cb 0.11 -3.65 0.01 0.00 0.05 0.00 0.00 34.50 31.02 2r3s s PRO 238 CO -0.08 -0.55 0.93 0.09 0.05 0.00 0.00 177.00 177.43 2r3s n ASN 239 N 6.08 -2.82 0.00 6.66 3.02 0.49 -4.89 115.26 123.80 2r3s n ASN 239 Ca 0.06 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.92 2r3s n ASN 239 Cb 0.47 -4.60 0.00 0.00 -0.61 0.00 0.00 39.78 35.05 2r3s n ASN 239 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2r3s n PHE 240 N -4.40 0.00 0.18 3.10 7.35 -1.26 -4.83 117.46 117.60 2r3s n PHE 240 Ca -0.20 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.55 2r3s n PHE 240 Cb 0.64 0.13 0.53 0.00 0.35 0.00 0.00 39.48 41.13 2r3s n PHE 240 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2r3s h LEU 241 N 0.00 0.14 -2.44 -2.13 3.38 -1.90 -2.63 115.31 109.73 2r3s h LEU 241 Ca 0.00 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2r3s h LEU 241 Cb 0.54 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2r3s h LEU 241 CO 0.00 0.16 0.17 1.12 0.09 0.00 0.00 178.44 179.98 2r3s h HIS 242 N 0.15 0.00 0.00 1.13 2.07 -1.88 -2.02 115.15 114.60 2r3s h HIS 242 Ca 0.04 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.56 2r3s h HIS 242 Cb 0.09 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.07 2r3s h HIS 242 CO 0.00 0.00 0.00 0.45 -3.07 0.00 0.00 177.93 175.31 2r3s h HIS 243 N 0.00 0.00 -2.23 6.12 3.86 -1.73 0.22 115.15 121.38 2r3s h HIS 243 Ca 0.03 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.64 2r3s h HIS 243 Cb 0.36 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.69 2r3s h HIS 243 CO 0.00 0.00 -0.75 -0.06 0.86 0.00 0.00 177.93 177.98 2r3s s PHE 244 N -3.40 2.26 0.97 2.45 0.08 -0.76 -3.47 117.98 116.11 2r3s s PHE 244 Ca 0.05 -0.36 -0.13 0.00 0.12 0.00 0.00 56.93 56.61 2r3s s PHE 244 Cb 0.09 -1.01 0.17 0.00 -0.57 0.00 0.00 43.02 41.70 2r3s s PHE 244 CO 0.55 0.69 1.11 0.16 -0.10 0.00 0.00 175.22 177.63 2r3s s ASP 245 N -3.51 2.91 0.11 1.36 1.47 -1.23 -4.47 116.67 113.31 2r3s s ASP 245 Ca 0.30 1.06 -0.20 0.00 1.18 0.00 0.00 52.55 54.88 2r3s s ASP 245 Cb -0.04 -1.67 -0.08 0.00 -0.34 0.00 0.00 42.92 40.78 2r3s s ASP 245 CO 0.15 -2.94 1.75 -0.37 0.68 0.00 0.00 175.17 174.44 2r3s h VAL 246 N -1.76 1.07 -0.72 2.11 -1.51 -1.96 -0.88 116.25 112.60 2r3s h VAL 246 Ca -0.53 -0.15 0.07 0.00 -1.23 0.00 0.00 66.70 64.86 2r3s h VAL 246 Cb 1.33 0.85 -0.06 0.00 -2.13 0.00 0.00 31.29 31.29 2r3s h VAL 246 CO 0.59 0.06 0.40 0.00 -1.23 0.00 0.00 177.57 177.40 2r3s h ALA 247 N 1.04 0.98 -0.47 5.19 0.00 -1.99 0.31 119.26 124.32 2r3s h ALA 247 Ca 0.06 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2r3s h ALA 247 Cb 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2r3s h ALA 247 CO -0.01 0.07 -0.03 1.15 0.00 0.00 0.00 179.25 180.43 2r3s h THR 248 N 0.72 1.27 -0.46 0.00 2.02 -1.87 -1.23 112.91 113.36 2r3s h THR 248 Ca 0.33 -1.11 0.04 0.00 0.77 0.00 0.00 66.41 66.44 2r3s h THR 248 Cb 0.23 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 2r3s h THR 248 CO -0.20 0.38 0.22 0.00 0.37 0.00 0.00 175.52 176.29 2r3s h GLU 250 N 0.43 0.78 -0.38 0.00 5.08 -0.13 -0.70 114.58 119.66 2r3s h GLU 250 Ca 0.21 -0.09 0.07 0.00 -1.00 0.00 0.00 59.36 58.55 2r3s h GLU 250 Cb 0.14 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.17 2r3s h GLU 250 CO -0.16 0.59 -0.05 0.37 -1.00 0.00 0.00 179.01 178.76 2r3s h GLN 251 N 0.75 0.05 -0.92 2.33 4.15 -1.11 0.14 115.11 120.50 2r3s h GLN 251 Ca 0.20 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 2r3s h GLN 251 Cb 0.04 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 2r3s h GLN 251 CO -0.03 0.03 0.53 1.25 -1.93 0.00 0.00 178.83 178.68 2r3s h LEU 252 N 0.05 1.13 -0.59 -2.39 5.85 -0.89 -2.05 115.31 116.43 2r3s h LEU 252 Ca 0.18 -0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.66 2r3s h LEU 252 Cb 0.27 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2r3s h LEU 252 CO -0.35 0.89 -0.58 -0.07 -0.34 0.00 0.00 178.44 177.99 2r3s h LEU 253 N 1.28 0.45 -0.53 2.25 3.38 -0.42 0.20 115.31 121.92 2r3s h LEU 253 Ca 0.33 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2r3s h LEU 253 Cb -0.01 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2r3s h LEU 253 CO -0.06 0.93 0.30 0.03 0.09 0.00 0.00 178.44 179.73 2r3s h ARG 254 N 0.30 0.73 -0.69 1.13 3.08 -0.87 0.73 114.38 118.79 2r3s h ARG 254 Ca -0.00 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 2r3s h ARG 254 Cb 1.10 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 2r3s h ARG 254 CO 0.10 0.56 0.21 -0.22 -1.07 0.00 0.00 179.97 179.55 2r3s h LYS 255 N 0.71 1.07 -0.35 0.04 3.64 -1.00 -2.45 116.57 118.23 2r3s h LYS 255 Ca 0.19 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2r3s h LYS 255 Cb 0.03 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2r3s h LYS 255 CO -0.03 0.91 0.09 0.82 -2.27 0.00 0.00 179.45 178.97 2r3s h ILE 256 N 1.02 1.22 -0.45 2.00 2.04 -0.38 -3.16 117.51 119.80 2r3s h ILE 256 Ca 0.22 -0.75 0.06 0.00 1.00 0.00 0.00 64.86 65.40 2r3s h ILE 256 Cb 0.30 1.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 2r3s h ILE 256 CO -0.01 0.25 0.14 0.50 0.00 0.00 0.00 178.15 179.04 2r3s h LYS 257 N 0.41 0.29 -0.82 2.37 3.64 -0.47 0.72 116.57 122.70 2r3s h LYS 257 Ca 0.11 -0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.66 2r3s h LYS 257 Cb 0.30 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 2r3s h LYS 257 CO 0.00 0.19 0.55 1.15 -2.27 0.00 0.00 179.45 179.07 2r3s h THR 258 N 0.30 0.71 -0.00 1.00 2.02 -1.45 -1.24 112.91 114.25 2r3s h THR 258 Ca 0.22 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.28 2r3s h THR 258 Cb 0.24 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2r3s h THR 258 CO -0.24 0.06 -0.10 0.00 0.37 0.00 0.00 175.52 175.61 2r3s n ALA 259 N -2.55 2.63 -2.07 6.16 0.00 0.22 -4.78 120.51 120.11 2r3s n ALA 259 Ca 0.17 -0.17 -0.39 0.00 0.00 0.00 0.00 53.44 53.04 2r3s n ALA 259 Cb 0.66 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 2r3s n ALA 259 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2r3s s LEU 260 N -2.85 4.57 1.07 0.00 1.43 -0.47 -1.26 118.68 121.16 2r3s s LEU 260 Ca 0.18 1.57 -0.12 0.00 -1.03 0.00 0.00 54.13 54.73 2r3s s LEU 260 Cb 0.19 -3.23 0.23 0.00 0.03 0.00 0.00 46.19 43.41 2r3s s LEU 260 CO 0.54 0.20 1.06 0.00 0.23 0.00 0.00 176.35 178.38 2r3s s ALA 261 N -1.00 0.34 0.25 4.21 0.00 -0.22 -4.56 121.76 120.78 2r3s s ALA 261 Ca 0.35 -0.16 -0.03 0.00 0.00 0.00 0.00 51.96 52.12 2r3s s ALA 261 Cb -0.22 -3.21 0.45 0.00 0.00 0.00 0.00 23.12 20.13 2r3s s ALA 261 CO 0.25 -3.28 1.78 0.28 0.00 0.00 0.00 175.76 174.78 2r3s h VAL 262 N -2.22 0.81 -0.75 0.00 2.07 -1.97 -0.66 116.25 113.53 2r3s h VAL 262 Ca -0.57 -0.23 -0.40 0.00 0.82 0.00 0.00 66.70 66.32 2r3s h VAL 262 Cb 1.32 0.08 -0.23 0.00 -1.52 0.00 0.00 31.29 30.94 2r3s h VAL 262 CO 0.53 0.12 0.36 1.21 0.02 0.00 0.00 177.57 179.81 2r3s n GLU 263 N -4.83 2.13 -2.57 1.57 4.07 -1.26 -4.82 120.64 114.93 2r3s n GLU 263 Ca 0.15 -3.12 -0.36 0.00 -0.06 0.00 0.00 57.16 53.77 2r3s n GLU 263 Cb 0.35 -2.05 -0.04 0.00 -0.06 0.00 0.00 31.44 29.64 2r3s n GLU 263 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2r3s s GLY 264 N -1.85 2.71 0.02 8.31 0.00 -0.26 -4.91 107.32 111.34 2r3s s GLY 264 Ca 0.53 0.67 0.08 0.00 0.00 0.00 0.00 44.72 46.00 2r3s s GLY 264 CO 0.06 1.09 -0.25 0.54 0.00 0.00 0.00 173.10 174.54 2r3s s LYS 265 N -2.56 1.80 -0.15 2.90 1.02 0.22 -2.49 119.74 120.47 2r3s s LYS 265 Ca 0.58 -0.99 -0.05 0.00 0.02 0.00 0.00 55.97 55.54 2r3s s LYS 265 Cb -0.21 -1.87 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 2r3s s LYS 265 CO 0.26 0.49 0.01 0.08 -0.92 0.00 0.00 175.35 175.28 2r3s s VAL 266 N -0.71 4.37 -0.24 3.17 1.01 -0.29 -0.31 120.40 127.40 2r3s s VAL 266 Ca 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 2r3s s VAL 266 Cb -0.10 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.37 2r3s s VAL 266 CO 0.01 0.50 -0.05 -0.63 0.00 0.00 0.00 175.10 174.93 2r3s s ILE 267 N 0.14 3.09 -0.20 2.22 1.01 0.47 -0.48 121.20 127.45 2r3s s ILE 267 Ca 0.02 -0.82 -0.12 0.00 0.00 0.00 0.00 60.65 59.72 2r3s s ILE 267 Cb -0.13 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 2r3s s ILE 267 CO 0.02 0.27 0.24 -0.69 0.00 0.00 0.00 174.94 174.78 2r3s s VAL 268 N 1.39 5.32 -0.19 2.92 1.01 0.38 -0.30 120.40 130.93 2r3s s VAL 268 Ca 0.02 0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.39 2r3s s VAL 268 Cb -0.16 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2r3s s VAL 268 CO -0.04 0.35 -0.13 0.12 0.00 0.00 0.00 175.10 175.40 2r3s s PHE 269 N 0.84 2.84 0.19 5.22 5.36 -1.05 -0.94 117.98 130.44 2r3s s PHE 269 Ca 0.13 -1.23 -0.20 0.00 -0.96 0.00 0.00 56.93 54.67 2r3s s PHE 269 Cb -0.13 -1.97 0.07 0.00 -0.34 0.00 0.00 43.02 40.65 2r3s s PHE 269 CO 0.04 -0.62 0.94 -3.47 -1.46 0.00 0.00 175.22 170.65 2r3s n ASP 270 N 4.51 -1.66 -4.50 6.13 -0.08 -0.78 -0.38 116.55 119.78 2r3s n ASP 270 Ca -0.19 -1.90 -0.43 0.00 -1.51 0.00 0.00 54.79 50.76 2r3s n ASP 270 Cb 0.51 2.71 -0.05 0.00 2.34 0.00 0.00 41.12 46.62 2r3s n ASP 270 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 2r3s s PHE 271 N -2.40 2.89 -0.40 -0.67 0.08 -1.26 -1.31 117.98 114.91 2r3s s PHE 271 Ca 0.21 -0.13 0.01 0.00 0.12 0.00 0.00 56.93 57.14 2r3s s PHE 271 Cb -0.03 -3.87 0.11 0.00 -0.57 0.00 0.00 43.02 38.66 2r3s s PHE 271 CO 0.06 -1.22 0.14 0.42 -0.10 0.00 0.00 175.22 174.52 2r3s s ILE 272 N 3.51 2.74 0.59 0.64 1.01 -1.26 -4.04 121.20 124.39 2r3s s ILE 272 Ca 0.26 -2.36 -0.15 0.00 0.00 0.00 0.00 60.65 58.40 2r3s s ILE 272 Cb -0.14 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 2r3s s ILE 272 CO 0.18 -0.67 1.04 -2.16 0.00 0.00 0.00 174.94 173.34 2r3s s PRO 273 N 0.83 3.40 1.15 2.79 0.04 -1.26 -4.81 135.00 137.14 2r3s s PRO 273 Ca 0.11 1.13 -0.14 0.00 0.04 0.00 0.00 61.00 62.14 2r3s s PRO 273 Cb -0.21 -2.05 0.23 0.00 0.04 0.00 0.00 34.50 32.51 2r3s s PRO 273 CO -0.06 -0.74 0.70 0.09 0.04 0.00 0.00 177.00 177.04 2r3s n ASN 274 N -2.06 -1.90 0.06 6.66 3.02 0.47 -4.39 115.26 117.11 2r3s n ASN 274 Ca 0.08 -0.13 0.11 0.00 -0.03 0.00 0.00 54.58 54.61 2r3s n ASN 274 Cb 0.53 -1.17 0.45 0.00 -0.61 0.00 0.00 39.78 38.97 2r3s n ASN 274 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2r3s n SER 275 N -3.90 0.35 0.24 6.41 3.41 -1.26 -1.62 113.62 117.25 2r3s n SER 275 Ca 0.03 0.56 0.09 0.00 -0.26 0.00 0.00 58.87 59.29 2r3s n SER 275 Cb 0.56 -0.65 0.61 0.00 -0.26 0.00 0.00 64.21 64.48 2r3s n SER 275 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2r3s h ASP 276 N 0.00 0.00 -0.17 4.04 3.04 -1.90 -3.47 116.42 117.96 2r3s h ASP 276 Ca 0.00 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.72 2r3s h ASP 276 Cb 0.43 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.69 2r3s h ASP 276 CO 0.00 0.18 -0.07 0.54 -2.04 0.00 0.00 179.24 177.85 2r3s n ARG 277 N -3.83 -0.92 0.00 4.15 1.74 -0.64 -4.80 116.66 112.37 2r3s n ARG 277 Ca -0.02 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 2r3s n ARG 277 Cb 0.28 -4.29 0.00 0.00 -1.02 0.00 0.00 32.46 27.42 2r3s n ARG 277 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2r3s n ILE 278 N -2.56 0.00 -4.19 0.55 -5.35 -1.26 -4.79 119.36 101.76 2r3s n ILE 278 Ca -0.04 -0.39 -0.14 0.00 -0.27 0.00 0.00 62.75 61.91 2r3s n ILE 278 Cb 0.29 0.97 -0.11 0.00 -1.74 0.00 0.00 39.64 39.05 2r3s n ILE 278 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2r3s s THR 279 N -0.87 0.99 0.71 7.28 -4.23 -1.26 -4.04 115.64 114.22 2r3s s THR 279 Ca 0.00 -1.72 -0.15 0.00 -1.18 0.00 0.00 61.69 58.64 2r3s s THR 279 Cb 0.00 -1.46 0.03 0.00 1.34 0.00 0.00 72.50 72.41 2r3s s THR 279 CO 0.00 -0.59 1.16 -2.16 -0.54 0.00 0.00 174.62 172.49 2r3s s PRO 280 N -2.98 2.37 0.24 3.99 0.04 -1.26 -0.40 135.00 137.01 2r3s s PRO 280 Ca 0.08 1.59 -0.06 0.00 0.04 0.00 0.00 61.00 62.65 2r3s s PRO 280 Cb -0.02 -1.88 0.31 0.00 0.04 0.00 0.00 34.50 32.95 2r3s s PRO 280 CO 0.00 -1.62 1.88 -1.35 0.04 0.00 0.00 177.00 175.95 2r3s h PRO 281 N -0.22 1.07 -0.31 0.56 0.11 -2.00 -0.84 132.00 130.36 2r3s h PRO 281 Ca -0.47 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 65.40 2r3s h PRO 281 Cb 1.27 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 2r3s h PRO 281 CO 0.51 0.71 -0.49 0.38 -0.21 0.00 0.00 178.00 178.90 2r3s h ASP 282 N 1.10 0.98 -0.46 -2.05 3.04 -1.96 -1.21 116.42 115.85 2r3s h ASP 282 Ca 0.37 -0.51 -0.03 0.00 -3.24 0.00 0.00 57.03 53.61 2r3s h ASP 282 Cb 0.06 -0.28 -0.02 0.00 -1.04 0.00 0.00 39.33 38.05 2r3s h ASP 282 CO -0.14 1.30 0.16 0.00 -2.04 0.00 0.00 179.24 178.53 2r3s h ALA 283 N 0.70 0.60 -0.13 4.15 0.00 -1.81 -3.15 119.26 119.63 2r3s h ALA 283 Ca 0.03 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 2r3s h ALA 283 Cb 1.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2r3s h ALA 283 CO 0.11 0.24 -0.55 0.00 0.00 0.00 0.00 179.25 179.05 2r3s h ALA 284 N 1.01 0.83 0.00 0.00 0.00 -1.01 -2.94 119.26 117.15 2r3s h ALA 284 Ca 0.15 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2r3s h ALA 284 Cb 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2r3s h ALA 284 CO -0.01 0.69 0.00 0.00 0.00 0.00 0.00 179.25 179.93 2r3s n ALA 285 N -2.49 2.19 0.30 0.00 0.00 -0.47 -3.12 120.51 116.91 2r3s n ALA 285 Ca -0.03 -0.07 0.17 0.00 0.00 0.00 0.00 53.44 53.51 2r3s n ALA 285 Cb 0.59 -1.43 0.73 0.00 0.00 0.00 0.00 19.45 19.34 2r3s n ALA 285 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2r3s h PHE 286 N 0.00 0.00 -0.12 0.00 3.57 -1.47 -2.88 116.94 116.04 2r3s h PHE 286 Ca 0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2r3s h PHE 286 Cb 0.49 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 2r3s h PHE 286 CO 0.00 0.00 -0.31 0.66 -2.23 0.00 0.00 178.31 176.43 2r3s h SER 287 N 0.00 0.23 -0.76 0.41 4.64 -1.74 -2.84 113.55 113.48 2r3s h SER 287 Ca 0.00 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.21 2r3s h SER 287 Cb 0.42 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 2r3s h SER 287 CO 0.00 0.53 0.34 0.25 -0.87 0.00 0.00 176.83 177.09 2r3s h LEU 288 N 0.20 1.01 -1.53 5.97 5.85 -1.76 0.32 115.31 125.37 2r3s h LEU 288 Ca 0.03 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2r3s h LEU 288 Cb 0.65 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2r3s h LEU 288 CO 0.05 0.87 0.00 0.52 -0.34 0.00 0.00 178.44 179.54 2r3s n VAL 289 N -4.37 0.01 0.00 1.05 0.31 -1.07 -1.35 118.33 112.92 2r3s n VAL 289 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2r3s n VAL 289 Cb 0.15 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 2r3s n VAL 289 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2r3s n LEU 291 N 0.75 0.00 0.17 7.52 7.94 0.10 -2.28 117.00 131.20 2r3s n LEU 291 Ca 0.00 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.94 2r3s n LEU 291 Cb 0.01 0.00 0.26 0.00 0.53 0.00 0.00 43.42 44.22 2r3s n LEU 291 CO 0.00 0.00 0.61 0.00 -1.11 0.00 0.00 177.39 176.89 2r3s h ALA 292 N 0.00 0.94 0.00 1.96 0.00 -1.48 -2.51 119.26 118.17 2r3s h ALA 292 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2r3s h ALA 292 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2r3s h ALA 292 CO 0.00 0.56 0.00 0.25 0.00 0.00 0.00 179.25 180.06 2r3s n THR 293 N -3.54 0.00 -4.07 0.00 -2.24 -0.97 -4.41 114.28 99.05 2r3s n THR 293 Ca -0.00 -0.41 -0.11 0.00 -2.27 0.00 0.00 64.05 61.26 2r3s n THR 293 Cb 0.56 1.02 -0.11 0.00 -2.10 0.00 0.00 70.33 69.70 2r3s n THR 293 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2r3s s THR 294 N -0.75 0.46 0.20 4.28 -4.23 -1.26 -2.85 115.64 111.49 2r3s s THR 294 Ca 0.00 -1.29 -0.10 0.00 -1.18 0.00 0.00 61.69 59.11 2r3s s THR 294 Cb 0.00 -0.85 0.13 0.00 1.34 0.00 0.00 72.50 73.12 2r3s s THR 294 CO 0.00 -0.57 1.81 -0.65 -0.54 0.00 0.00 174.62 174.67 2r3s h PRO 295 N 4.08 1.00 0.00 3.99 0.11 -1.88 -0.75 132.00 138.56 2r3s h PRO 295 Ca -0.35 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2r3s h PRO 295 Cb 1.19 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2r3s h PRO 295 CO 0.48 0.76 -0.35 0.09 -0.21 0.00 0.00 178.00 178.77 2r3s n ASN 296 N -4.47 0.00 -4.82 -2.05 3.02 -1.26 -4.16 115.26 101.52 2r3s n ASN 296 Ca 0.06 -1.70 -0.29 0.00 -0.03 0.00 0.00 54.58 52.62 2r3s n ASN 296 Cb 0.10 -0.14 0.10 0.00 -0.61 0.00 0.00 39.78 39.24 2r3s n ASN 296 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2r3s s GLY 297 N -0.70 1.60 0.04 7.41 0.00 -1.23 -3.56 107.32 110.88 2r3s s GLY 297 Ca 0.00 -0.40 -0.27 0.00 0.00 0.00 0.00 44.72 44.05 2r3s s GLY 297 CO 0.00 0.08 0.80 -0.35 0.00 0.00 0.00 173.10 173.63 2r3s s ASP 298 N -4.08 -0.44 -0.63 1.64 -1.08 0.76 -4.45 116.67 108.39 2r3s s ASP 298 Ca 0.62 0.05 -0.22 0.00 -0.52 0.00 0.00 52.55 52.48 2r3s s ASP 298 Cb -0.14 0.45 0.08 0.00 -1.46 0.00 0.00 42.92 41.85 2r3s s ASP 298 CO 0.53 -0.71 0.89 0.00 0.52 0.00 0.00 175.17 176.40 2r3s s ALA 299 N -3.14 3.19 0.26 3.66 0.00 -1.26 -4.47 121.76 120.00 2r3s s ALA 299 Ca 0.03 -1.89 -0.22 0.00 0.00 0.00 0.00 51.96 49.87 2r3s s ALA 299 Cb -0.01 -3.76 -0.09 0.00 0.00 0.00 0.00 23.12 19.26 2r3s s ALA 299 CO -0.09 -2.63 0.81 0.71 0.00 0.00 0.00 175.76 174.55 2r3s s TYR 300 N 3.70 3.65 0.73 0.00 2.02 -1.26 -4.74 117.35 121.46 2r3s s TYR 300 Ca 0.20 1.53 -0.09 0.00 -0.37 0.00 0.00 57.07 58.34 2r3s s TYR 300 Cb -0.18 -2.73 0.06 0.00 -0.40 0.00 0.00 41.96 38.71 2r3s s TYR 300 CO 0.10 0.28 1.07 0.95 -1.57 0.00 0.00 175.55 176.37 2r3s s THR 301 N -1.57 2.33 0.20 -0.71 -4.23 -1.26 -4.11 115.64 106.28 2r3s s THR 301 Ca 0.46 -0.12 -0.09 0.00 -1.18 0.00 0.00 61.69 60.75 2r3s s THR 301 Cb -0.17 -3.05 0.12 0.00 1.34 0.00 0.00 72.50 70.74 2r3s s THR 301 CO 0.22 -0.06 1.75 0.15 -0.54 0.00 0.00 174.62 176.14 2r3s h PHE 302 N -0.73 1.09 -0.83 3.99 3.57 -1.92 -1.21 116.94 120.89 2r3s h PHE 302 Ca -0.45 -0.08 0.09 0.00 3.53 0.00 0.00 57.97 61.06 2r3s h PHE 302 Cb 1.31 -0.32 -0.06 0.00 2.79 0.00 0.00 35.95 39.67 2r3s h PHE 302 CO 0.34 0.84 0.54 0.00 -2.23 0.00 0.00 178.31 177.81 2r3s h ALA 303 N 1.13 1.70 -0.02 2.41 0.00 -1.94 0.49 119.26 123.03 2r3s h ALA 303 Ca 0.24 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.92 2r3s h ALA 303 Cb 0.22 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.84 2r3s h ALA 303 CO -0.02 0.13 -0.85 0.93 0.00 0.00 0.00 179.25 179.44 2r3s h GLU 304 N 0.80 0.61 -0.57 0.00 5.08 -1.76 -1.92 114.58 116.82 2r3s h GLU 304 Ca 0.38 -0.63 -0.11 0.00 -1.00 0.00 0.00 59.36 58.00 2r3s h GLU 304 Cb 0.41 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2r3s h GLU 304 CO -0.15 1.24 -0.07 1.88 -1.00 0.00 0.00 179.01 180.91 2r3s h TYR 305 N 0.23 1.15 -0.16 4.33 0.05 -0.63 -3.16 116.97 118.78 2r3s h TYR 305 Ca -0.10 -0.22 0.02 0.00 0.05 0.00 0.00 58.73 58.48 2r3s h TYR 305 Cb 1.52 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 38.95 2r3s h TYR 305 CO 0.12 1.05 0.00 1.49 -1.05 0.00 0.00 178.16 179.77 2r3s h GLU 306 N 0.93 0.05 -1.65 4.88 4.81 -0.01 -0.86 114.58 122.74 2r3s h GLU 306 Ca 0.15 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2r3s h GLU 306 Cb 0.64 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2r3s h GLU 306 CO 0.04 0.04 0.00 0.45 -0.73 0.00 0.00 179.01 178.81 2r3s n SER 307 N -5.12 0.00 0.00 1.04 2.88 -0.73 -1.03 113.62 110.66 2r3s n SER 307 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2r3s n SER 307 Cb 0.09 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 2r3s n SER 307 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2r3s n PHE 309 N 0.90 0.00 0.40 0.66 3.72 -0.33 -0.82 117.46 121.99 2r3s n PHE 309 Ca 0.00 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 2r3s n PHE 309 Cb 0.00 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.44 2r3s n PHE 309 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2r3s h SER 310 N 0.00 -1.18 -0.35 4.37 0.87 -1.31 -0.29 113.55 115.66 2r3s h SER 310 Ca 0.00 0.07 0.10 0.00 -1.23 0.00 0.00 61.79 60.73 2r3s h SER 310 Cb 0.00 0.35 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2r3s h SER 310 CO 0.00 -0.71 0.29 0.78 -0.53 0.00 0.00 176.83 176.66 2r3s h ASN 311 N -1.12 0.00 -0.00 6.23 2.35 -1.25 0.20 115.58 121.99 2r3s h ASN 311 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2r3s h ASN 311 Cb 0.91 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.28 2r3s h ASN 311 CO 0.08 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.86 2r3s n ALA 312 N -2.51 2.68 -0.30 -0.83 0.00 -1.07 -4.92 120.51 113.55 2r3s n ALA 312 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2r3s n ALA 312 Cb 0.46 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.43 2r3s n ALA 312 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2r3s n GLY 313 N 1.01 0.84 3.79 0.00 0.00 0.69 -4.46 105.19 107.06 2r3s n GLY 313 Ca 0.23 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2r3s n GLY 313 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2r3s s PHE 314 N -2.00 3.47 0.22 1.61 0.40 -0.16 -4.97 117.98 116.55 2r3s s PHE 314 Ca 0.00 1.70 0.12 0.00 -0.60 0.00 0.00 56.93 58.14 2r3s s PHE 314 Cb 0.00 -2.95 0.33 0.00 0.51 0.00 0.00 43.02 40.91 2r3s s PHE 314 CO 0.00 -0.09 1.59 0.66 0.70 0.00 0.00 175.22 178.07 2r3s h SER 315 N 2.61 0.00 -3.75 1.36 4.64 -1.24 -3.41 113.55 113.76 2r3s h SER 315 Ca -0.48 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 60.90 2r3s h SER 315 Cb 1.19 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.04 2r3s h SER 315 CO 0.63 0.62 0.46 -2.28 -0.87 0.00 0.00 176.83 175.39 2r3s s HIS 316 N -3.47 -0.46 0.05 4.77 5.65 -1.18 -5.02 115.29 115.63 2r3s s HIS 316 Ca -0.01 0.97 0.01 0.00 0.25 0.00 0.00 55.06 56.29 2r3s s HIS 316 Cb 0.12 0.40 -0.03 0.00 -1.18 0.00 0.00 32.58 31.89 2r3s s HIS 316 CO 0.76 -0.31 -0.06 -1.54 -0.65 0.00 0.00 174.74 172.93 2r3s s SER 317 N -0.43 0.75 -0.04 9.88 1.04 -1.26 0.46 113.70 124.11 2r3s s SER 317 Ca -0.00 -0.64 -0.02 0.00 0.48 0.00 0.00 55.95 55.76 2r3s s SER 317 Cb -0.03 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.18 2r3s s SER 317 CO -0.01 -0.29 0.09 -1.58 0.98 0.00 0.00 173.24 172.42 2r3s s GLN 318 N -2.08 0.07 0.21 4.02 0.74 0.08 -4.99 119.66 117.71 2r3s s GLN 318 Ca -0.07 0.20 -0.28 0.00 0.05 0.00 0.00 55.36 55.27 2r3s s GLN 318 Cb -0.06 -0.08 -0.09 0.00 1.10 0.00 0.00 33.01 33.88 2r3s s GLN 318 CO -0.01 -0.09 0.87 -1.17 -0.55 0.00 0.00 175.29 174.34 2r3s s LEU 319 N 0.59 4.62 -0.35 3.68 2.96 -1.26 -1.31 118.68 127.61 2r3s s LEU 319 Ca -0.05 1.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.68 2r3s s LEU 319 Cb -0.06 -3.47 0.11 0.00 0.50 0.00 0.00 46.19 43.27 2r3s s LEU 319 CO -0.02 0.18 0.14 -1.00 -1.32 0.00 0.00 176.35 174.32 2r3s s HIS 320 N -1.15 1.94 0.31 5.38 3.76 0.11 -4.95 115.29 120.71 2r3s s HIS 320 Ca 0.39 -2.05 0.08 0.00 -0.15 0.00 0.00 55.06 53.33 2r3s s HIS 320 Cb -0.25 -1.85 0.90 0.00 1.11 0.00 0.00 32.58 32.49 2r3s s HIS 320 CO 0.29 -0.86 1.65 1.03 -0.85 0.00 0.00 174.74 176.01 2r3s h SER 321 N 7.63 0.25 -5.89 1.40 0.87 -1.95 0.73 113.55 116.59 2r3s h SER 321 Ca -0.09 0.20 -0.12 0.00 -1.23 0.00 0.00 61.79 60.55 2r3s h SER 321 Cb 0.99 0.21 0.01 0.00 -0.44 0.00 0.00 62.40 63.16 2r3s h SER 321 CO 0.47 -0.15 -0.94 0.18 -0.53 0.00 0.00 176.83 175.87 2r3s n LEU 322 N -5.14 -5.34 0.06 2.23 4.77 -1.26 -4.14 117.00 108.17 2r3s n LEU 322 Ca 0.27 0.50 0.12 0.00 -0.03 0.00 0.00 56.01 56.86 2r3s n LEU 322 Cb 0.83 -2.43 0.47 0.00 -2.33 0.00 0.00 43.42 39.95 2r3s n LEU 322 CO 0.08 -1.64 0.87 -0.81 -1.33 0.00 0.00 177.39 174.55 2r3s n PRO 323 N 0.33 0.12 0.00 3.23 -0.04 -1.26 -2.56 135.00 134.82 2r3s n PRO 323 Ca 0.00 0.21 0.14 0.00 -0.04 0.00 0.00 63.50 63.82 2r3s n PRO 323 Cb 0.44 -1.68 0.85 0.00 -0.04 0.00 0.00 33.50 33.07 2r3s n PRO 323 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2r3s n THR 324 N -1.90 0.01 -4.30 0.52 -2.24 -1.26 -4.87 114.28 100.24 2r3s n THR 324 Ca 0.05 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.67 2r3s n THR 324 Cb 0.31 -0.55 -0.10 0.00 -2.10 0.00 0.00 70.33 67.89 2r3s n THR 324 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2r3s s THR 325 N -2.03 0.38 0.14 4.28 -4.23 -1.06 -5.04 115.64 108.08 2r3s s THR 325 Ca 0.42 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.84 2r3s s THR 325 Cb 0.20 -2.57 -0.08 0.00 1.34 0.00 0.00 72.50 71.38 2r3s s THR 325 CO 0.34 0.00 1.43 -0.61 -0.54 0.00 0.00 174.62 175.23 2r3s h GLN 326 N 2.38 0.80 -6.17 3.99 4.15 -1.89 -3.47 115.11 114.89 2r3s h GLN 326 Ca -0.36 -0.51 -0.52 0.00 0.77 0.00 0.00 58.65 58.03 2r3s h GLN 326 Cb 1.25 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.97 2r3s h GLN 326 CO 0.56 1.14 -0.31 -0.65 -1.93 0.00 0.00 178.83 177.64 2r3s s GLN 327 N -4.08 2.43 0.24 1.69 -0.21 -1.26 -4.83 119.66 113.63 2r3s s GLN 327 Ca -0.10 -1.68 0.11 0.00 0.02 0.00 0.00 55.36 53.71 2r3s s GLN 327 Cb 0.10 -2.34 -0.05 0.00 1.00 0.00 0.00 33.01 31.72 2r3s s GLN 327 CO 0.88 -0.41 -0.21 -0.65 -2.12 0.00 0.00 175.29 172.78 2r3s s GLN 328 N -4.25 1.58 -0.06 2.91 1.11 -0.43 -4.68 119.66 115.84 2r3s s GLN 328 Ca 0.46 -1.65 0.04 0.00 0.01 0.00 0.00 55.36 54.22 2r3s s GLN 328 Cb -0.03 -1.73 0.00 0.00 -1.01 0.00 0.00 33.01 30.23 2r3s s GLN 328 CO 0.28 0.34 -0.18 0.08 0.01 0.00 0.00 175.29 175.82 2r3s s VAL 329 N -2.21 1.50 -0.13 1.09 1.01 0.25 -1.87 120.40 120.05 2r3s s VAL 329 Ca 0.25 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 2r3s s VAL 329 Cb -0.06 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 2r3s s VAL 329 CO 0.12 0.43 -0.07 -0.63 0.00 0.00 0.00 175.10 174.96 2r3s s ILE 330 N 0.26 3.66 -0.21 2.22 1.01 -0.12 0.09 121.20 128.12 2r3s s ILE 330 Ca -0.10 -0.46 -0.06 0.00 0.00 0.00 0.00 60.65 60.03 2r3s s ILE 330 Cb -0.14 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 2r3s s ILE 330 CO 0.04 0.53 0.03 -0.69 0.00 0.00 0.00 174.94 174.85 2r3s s VAL 331 N 0.03 4.25 0.03 2.92 1.01 -0.42 -0.47 120.40 127.75 2r3s s VAL 331 Ca -0.01 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.81 2r3s s VAL 331 Cb -0.14 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 2r3s s VAL 331 CO 0.03 0.41 -0.10 0.00 0.00 0.00 0.00 175.10 175.44 2r3s s ALA 332 N 1.01 2.91 -0.08 5.51 0.00 0.36 -0.74 121.76 130.74 2r3s s ALA 332 Ca 0.03 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 50.93 2r3s s ALA 332 Cb -0.14 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 21.97 2r3s s ALA 332 CO 0.02 0.61 -0.22 0.71 0.00 0.00 0.00 175.76 176.88 2r3s s TYR 333 N -1.02 2.54 -1.52 0.00 1.51 0.17 -1.14 117.35 117.90 2r3s s TYR 333 Ca 0.17 -0.77 0.00 0.00 -1.01 0.00 0.00 57.07 55.47 2r3s s TYR 333 Cb -0.11 -1.67 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 2r3s s TYR 333 CO 0.08 -0.25 0.38 1.17 -1.11 0.00 0.00 175.55 175.83