#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gvv s PRO 12 N 0.00 3.22 0.17 -1.08 0.02 -1.26 -4.97 135.00 131.11 3gvv s PRO 12 Ca 0.00 1.84 -0.30 0.00 0.02 0.00 0.00 61.00 62.56 3gvv s PRO 12 Cb 0.00 -2.09 -0.07 0.00 0.02 0.00 0.00 34.50 32.36 3gvv s PRO 12 CO 0.00 -1.01 0.96 -2.00 -0.33 0.00 0.00 177.00 174.62 3gvv s GLU 13 N -3.13 4.77 0.01 5.54 2.12 -1.26 -4.55 118.70 122.20 3gvv s GLU 13 Ca 0.73 1.48 -0.30 0.00 0.36 0.00 0.00 54.97 57.24 3gvv s GLU 13 Cb -0.30 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 3gvv s GLU 13 CO 0.34 0.35 1.07 -1.17 -0.54 0.00 0.00 175.26 175.31 3gvv s LEU 14 N -0.56 4.36 0.00 2.70 2.96 -1.26 -4.43 118.68 122.44 3gvv s LEU 14 Ca 0.44 1.79 0.00 0.00 -0.22 0.00 0.00 54.13 56.14 3gvv s LEU 14 Cb -0.25 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.87 3gvv s LEU 14 CO 0.31 -0.36 0.00 0.29 -1.32 0.00 0.00 176.35 175.27 3gvv n LYS 15 N 4.05 0.00 -2.01 1.98 5.02 0.23 -4.76 118.16 122.66 3gvv n LYS 15 Ca 0.07 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.94 3gvv n LYS 15 Cb 0.49 -0.32 -0.03 0.00 -0.02 0.00 0.00 35.03 35.15 3gvv n LYS 15 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3gvv s ASN 16 N -1.00 6.65 -0.07 4.39 3.84 -1.18 -4.88 114.94 122.68 3gvv s ASN 16 Ca 0.00 2.20 0.11 0.00 0.21 0.00 0.00 52.86 55.38 3gvv s ASN 16 Cb 0.00 -2.53 0.18 0.00 -0.55 0.00 0.00 41.25 38.34 3gvv s ASN 16 CO 0.00 -0.95 1.09 -0.90 -2.79 0.00 0.00 177.10 173.55 3gvv n ASP 17 N 7.22 1.22 -0.28 -4.21 5.75 -1.26 -4.23 116.55 120.77 3gvv n ASP 17 Ca 0.17 -2.60 0.09 0.00 -0.01 0.00 0.00 54.79 52.44 3gvv n ASP 17 Cb 0.43 -0.33 0.24 0.00 -1.03 0.00 0.00 41.12 40.43 3gvv n ASP 17 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 3gvv h THR 18 N 3.46 0.56 -0.95 2.12 2.02 -1.89 0.91 112.91 119.13 3gvv h THR 18 Ca -0.01 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.05 3gvv h THR 18 Cb 1.22 0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.69 3gvv h THR 18 CO 0.01 0.07 0.63 0.15 0.37 0.00 0.00 175.52 176.75 3gvv h PHE 19 N 0.41 1.18 -0.00 3.16 3.57 -1.89 0.41 116.94 123.78 3gvv h PHE 19 Ca 0.48 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.82 3gvv h PHE 19 Cb 0.82 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3gvv h PHE 19 CO -0.17 0.71 -0.83 -0.07 -2.23 0.00 0.00 178.31 175.72 3gvv h LEU 20 N 1.25 0.18 0.19 0.59 3.38 -1.19 -0.94 115.31 118.77 3gvv h LEU 20 Ca 0.36 -0.14 -0.31 0.00 0.09 0.00 0.00 57.88 57.88 3gvv h LEU 20 Cb -0.08 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 40.64 3gvv h LEU 20 CO -0.09 0.93 -1.43 0.03 0.09 0.00 0.00 178.44 177.97 3gvv h ARG 21 N 0.08 0.41 -1.01 1.13 3.08 -1.11 -1.95 114.38 115.02 3gvv h ARG 21 Ca -0.03 -0.70 0.11 0.00 0.07 0.00 0.00 59.98 59.42 3gvv h ARG 21 Cb 1.45 0.26 -0.08 0.00 0.08 0.00 0.00 29.97 31.68 3gvv h ARG 21 CO 0.12 1.33 0.64 0.00 -1.07 0.00 0.00 179.97 180.99 3gvv h ALA 22 N 0.33 1.49 -0.37 0.04 0.00 -0.92 -1.68 119.26 118.15 3gvv h ALA 22 Ca -0.22 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3gvv h ALA 22 Cb 2.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 3gvv h ALA 22 CO 0.23 0.28 0.09 0.00 0.00 0.00 0.00 179.25 179.86 3gvv h ALA 23 N 1.52 0.49 0.00 0.00 0.00 -0.87 -2.82 119.26 117.58 3gvv h ALA 23 Ca 0.48 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3gvv h ALA 23 Cb 0.41 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3gvv h ALA 23 CO -0.24 0.17 0.00 -1.49 0.00 0.00 0.00 179.25 177.69 3gvv h TRP 24 N 0.46 0.00 0.00 0.00 4.06 -1.00 -3.42 115.95 116.04 3gvv h TRP 24 Ca 0.12 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.07 3gvv h TRP 24 Cb 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.47 3gvv h TRP 24 CO 0.02 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.31 3gvv n GLY 25 N 1.06 1.24 3.78 1.49 0.00 -0.87 -5.00 105.19 106.89 3gvv n GLY 25 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3gvv n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gvv s GLU 26 N -0.16 4.14 0.74 1.61 2.02 -0.69 -4.59 118.70 121.77 3gvv s GLU 26 Ca 0.00 2.44 -0.15 0.00 0.02 0.00 0.00 54.97 57.28 3gvv s GLU 26 Cb 0.00 -2.96 0.02 0.00 0.10 0.00 0.00 34.13 31.29 3gvv s GLU 26 CO 0.00 -0.46 0.99 0.39 0.02 0.00 0.00 175.26 176.21 3gvv n GLU 27 N 0.49 0.44 -3.75 1.61 -0.58 -1.26 -3.94 120.64 113.65 3gvv n GLU 27 Ca 0.01 0.21 -0.13 0.00 -0.42 0.00 0.00 57.16 56.84 3gvv n GLU 27 Cb 0.40 -2.25 -0.08 0.00 -0.57 0.00 0.00 31.44 28.94 3gvv n GLU 27 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3gvv s THR 28 N -1.88 0.07 0.19 2.62 -4.23 -1.26 -4.84 115.64 106.32 3gvv s THR 28 Ca 0.73 -0.56 0.35 0.00 -1.18 0.00 0.00 61.69 61.03 3gvv s THR 28 Cb -0.33 -0.79 0.40 0.00 1.34 0.00 0.00 72.50 73.12 3gvv s THR 28 CO 0.51 -0.31 2.04 0.44 -0.54 0.00 0.00 174.62 176.76 3gvv h ASP 29 N 3.50 0.00 -5.14 3.99 3.45 -1.99 -3.46 116.42 116.78 3gvv h ASP 29 Ca -0.31 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.10 3gvv h ASP 29 Cb 1.19 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.92 3gvv h ASP 29 CO 0.43 0.01 0.11 -0.72 -1.57 0.00 0.00 179.24 177.49 3gvv s TYR 30 N -3.75 0.27 -0.26 4.55 -0.85 -1.26 -4.62 117.35 111.43 3gvv s TYR 30 Ca 0.00 -0.76 -0.12 0.00 -0.52 0.00 0.00 57.07 55.67 3gvv s TYR 30 Cb 0.10 0.52 -0.05 0.00 0.38 0.00 0.00 41.96 42.91 3gvv s TYR 30 CO 0.52 -1.31 0.24 0.99 -1.52 0.00 0.00 175.55 174.47 3gvv s THR 31 N -3.12 5.28 0.75 -3.49 2.01 -1.26 -5.04 115.64 110.77 3gvv s THR 31 Ca 0.19 0.29 -0.11 0.00 0.31 0.00 0.00 61.69 62.36 3gvv s THR 31 Cb -0.04 -3.57 0.05 0.00 0.01 0.00 0.00 72.50 68.95 3gvv s THR 31 CO 0.12 0.25 1.10 -2.16 -0.69 0.00 0.00 174.62 173.23 3gvv s PRO 32 N 1.65 2.35 -0.13 4.92 0.04 -1.26 -4.55 135.00 138.02 3gvv s PRO 32 Ca 0.10 1.22 -0.16 0.00 0.04 0.00 0.00 61.00 62.19 3gvv s PRO 32 Cb -0.15 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.52 3gvv s PRO 32 CO 0.09 -1.58 0.43 0.54 0.04 0.00 0.00 177.00 176.52 3gvv s VAL 33 N -2.79 0.01 0.34 -0.36 0.11 -1.26 -2.01 120.40 114.45 3gvv s VAL 33 Ca 0.62 -0.09 -0.14 0.00 -2.93 0.00 0.00 61.98 59.43 3gvv s VAL 33 Cb -0.18 -0.64 0.03 0.00 -1.53 0.00 0.00 36.38 34.07 3gvv s VAL 33 CO 0.53 -0.05 0.69 -1.66 -3.33 0.00 0.00 175.10 171.28 3gvv s TRP 34 N -0.17 0.23 0.01 1.54 1.48 -1.20 -0.72 118.94 120.11 3gvv s TRP 34 Ca -0.03 -0.75 0.02 0.00 -1.06 0.00 0.00 56.10 54.28 3gvv s TRP 34 Cb -0.03 0.59 -0.01 0.00 -1.16 0.00 0.00 33.47 32.86 3gvv s TRP 34 CO 0.02 -1.37 -0.08 0.00 -4.06 0.00 0.00 176.95 171.46 3gvv s MET 36 N -0.64 3.89 -1.47 0.00 -1.94 -1.26 -1.70 119.30 116.18 3gvv s MET 36 Ca -0.01 1.73 -0.10 0.00 -1.71 0.00 0.00 55.69 55.60 3gvv s MET 36 Cb -0.05 -2.47 0.06 0.00 2.01 0.00 0.00 34.83 34.38 3gvv s MET 36 CO 0.00 -0.43 0.90 0.54 -0.01 0.00 0.00 175.02 176.02 3gvv n ARG 37 N -0.32 -5.34 0.16 2.03 1.74 -1.26 -2.09 116.66 111.58 3gvv n ARG 37 Ca 0.06 0.60 0.01 0.00 -0.77 0.00 0.00 57.85 57.75 3gvv n ARG 37 Cb 0.48 -5.39 0.26 0.00 -1.02 0.00 0.00 32.46 26.79 3gvv n ARG 37 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 3gvv h GLN 38 N -2.03 0.00 -4.93 5.56 3.07 -1.73 -3.28 115.11 111.76 3gvv h GLN 38 Ca -0.59 0.00 -0.69 0.00 0.09 0.00 0.00 58.65 57.46 3gvv h GLN 38 Cb 1.37 0.00 -0.18 0.00 0.08 0.00 0.00 27.48 28.75 3gvv h GLN 38 CO 0.64 0.50 0.45 0.00 0.09 0.00 0.00 178.83 180.51 3gvv s ALA 39 N -3.82 3.37 0.34 0.06 0.00 -1.26 -4.63 121.76 115.83 3gvv s ALA 39 Ca -0.02 -2.37 -0.12 0.00 0.00 0.00 0.00 51.96 49.45 3gvv s ALA 39 Cb 0.13 -3.77 0.03 0.00 0.00 0.00 0.00 23.12 19.50 3gvv s ALA 39 CO 0.74 -2.65 0.64 0.20 0.00 0.00 0.00 175.76 174.68 3gvv s GLY 40 N 3.53 0.70 0.28 0.00 0.00 -1.24 -5.05 107.32 105.54 3gvv s GLY 40 Ca 0.21 -0.97 0.20 0.00 0.00 0.00 0.00 44.72 44.17 3gvv s GLY 40 CO 0.01 -0.55 1.62 0.54 0.00 0.00 0.00 173.10 174.72 3gvv n ARG 41 N -0.51 0.14 0.30 2.90 1.74 -1.26 -0.87 116.66 119.10 3gvv n ARG 41 Ca -0.04 0.58 0.19 0.00 -0.77 0.00 0.00 57.85 57.81 3gvv n ARG 41 Cb 0.61 -1.90 0.89 0.00 -1.02 0.00 0.00 32.46 31.04 3gvv n ARG 41 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 3gvv h TYR 42 N 0.00 0.00 -3.34 -1.55 -0.00 -1.78 -3.41 116.97 106.88 3gvv h TYR 42 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 58.73 58.14 3gvv h TYR 42 Cb 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 36.73 36.73 3gvv h TYR 42 CO 0.00 0.01 0.31 -0.51 -0.00 0.00 0.00 178.16 177.97 3gvv s LEU 43 N -6.22 4.15 0.12 0.10 1.43 -0.05 -4.53 118.68 113.68 3gvv s LEU 43 Ca -0.01 1.04 -0.19 0.00 -1.03 0.00 0.00 54.13 53.94 3gvv s LEU 43 Cb 0.11 -3.12 -0.06 0.00 0.03 0.00 0.00 46.19 43.15 3gvv s LEU 43 CO 0.49 -0.37 1.75 -0.65 0.23 0.00 0.00 176.35 177.80 3gvv h PRO 44 N 7.43 0.29 -0.05 1.29 0.11 -1.87 -2.12 132.00 137.08 3gvv h PRO 44 Ca -0.29 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.81 3gvv h PRO 44 Cb 1.13 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gvv h PRO 44 CO 0.82 0.23 0.26 1.05 -0.21 0.00 0.00 178.00 180.14 3gvv h GLU 45 N 0.27 0.00 -0.34 1.05 9.09 -1.95 0.11 114.58 122.82 3gvv h GLU 45 Ca 0.08 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.32 3gvv h GLU 45 Cb 0.01 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3gvv h GLU 45 CO -0.02 0.00 -0.45 0.35 0.05 0.00 0.00 179.01 178.95 3gvv h PHE 46 N 0.00 1.11 0.11 2.06 3.57 -1.67 -3.06 116.94 119.07 3gvv h PHE 46 Ca 0.03 -0.36 -0.30 0.00 3.53 0.00 0.00 57.97 60.87 3gvv h PHE 46 Cb 0.54 -0.22 0.03 0.00 2.79 0.00 0.00 35.95 39.09 3gvv h PHE 46 CO 0.00 1.19 -1.23 0.00 -2.23 0.00 0.00 178.31 176.04 3gvv h ARG 47 N 0.71 0.63 0.00 1.11 3.08 -0.76 0.03 114.38 119.19 3gvv h ARG 47 Ca 0.04 -0.83 0.00 0.00 0.07 0.00 0.00 59.98 59.26 3gvv h ARG 47 Cb 1.05 0.27 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3gvv h ARG 47 CO 0.11 1.38 0.00 -1.91 -1.07 0.00 0.00 179.97 178.48 3gvv n GLU 48 N -3.80 0.03 -0.00 0.04 2.13 -0.95 -0.59 120.64 117.50 3gvv n GLU 48 Ca -0.14 0.30 0.01 0.00 0.66 0.00 0.00 57.16 58.00 3gvv n GLU 48 Cb 0.98 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 31.17 3gvv n GLU 48 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3gvv n THR 49 N -1.33 0.00 0.05 6.31 -1.04 -1.12 -4.48 114.28 112.67 3gvv n THR 49 Ca 0.01 -0.14 -0.18 0.00 -2.04 0.00 0.00 64.05 61.70 3gvv n THR 49 Cb 0.03 0.55 -0.09 0.00 -1.82 0.00 0.00 70.33 69.00 3gvv n THR 49 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3gvv h ARG 50 N 0.00 0.62 -0.43 -2.82 2.47 -0.52 -3.16 114.38 110.54 3gvv h ARG 50 Ca 0.00 -0.67 0.12 0.00 -1.26 0.00 0.00 59.98 58.17 3gvv h ARG 50 Cb 0.11 0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.60 3gvv h ARG 50 CO 0.00 1.27 0.61 0.00 0.56 0.00 0.00 179.97 182.40 3gvv h ALA 51 N 0.50 2.12 -0.95 0.04 0.00 -1.07 -2.89 119.26 117.02 3gvv h ALA 51 Ca -0.12 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.92 3gvv h ALA 51 Cb 1.67 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.40 3gvv h ALA 51 CO 0.19 -0.83 0.56 0.00 0.00 0.00 0.00 179.25 179.18 3gvv h ALA 52 N 1.19 1.47 -2.99 0.00 0.00 -1.78 -3.45 119.26 113.70 3gvv h ALA 52 Ca 0.20 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.20 3gvv h ALA 52 Cb 1.42 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3gvv h ALA 52 CO -0.00 0.05 0.22 1.14 0.00 0.00 0.00 179.25 180.66 3gvv s GLN 53 N -5.94 1.94 0.19 0.00 0.00 -1.09 -5.15 119.66 109.61 3gvv s GLN 53 Ca -0.12 -1.17 -0.33 0.00 -0.00 0.00 0.00 55.36 53.74 3gvv s GLN 53 Cb 0.23 0.61 -0.14 0.00 0.00 0.00 0.00 33.01 33.70 3gvv s GLN 53 CO 0.80 -0.89 1.44 -3.47 0.00 0.00 0.00 175.29 173.17 3gvv n ASP 54 N -0.81 2.66 -0.33 12.60 2.03 -1.26 -4.88 116.55 126.56 3gvv n ASP 54 Ca -0.05 1.12 0.32 0.00 0.52 0.00 0.00 54.79 56.70 3gvv n ASP 54 Cb 0.59 -1.39 0.59 0.00 -0.72 0.00 0.00 41.12 40.20 3gvv n ASP 54 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3gvv h PHE 55 N 4.81 0.82 0.00 -0.67 3.57 -1.98 -2.67 116.94 120.83 3gvv h PHE 55 Ca -0.45 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.09 3gvv h PHE 55 Cb 1.28 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.83 3gvv h PHE 55 CO 0.59 -0.47 -0.22 1.19 -2.23 0.00 0.00 178.31 177.16 3gvv n PHE 56 N -5.24 0.32 -1.31 0.41 3.01 -1.26 -3.38 117.46 110.01 3gvv n PHE 56 Ca 0.38 0.09 -0.33 0.00 1.01 0.00 0.00 57.45 58.60 3gvv n PHE 56 Cb 1.30 -0.58 0.10 0.00 -0.01 0.00 0.00 39.48 40.29 3gvv n PHE 56 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3gvv n SER 57 N -1.79 7.08 -0.46 4.37 3.41 -1.00 -2.57 113.62 122.66 3gvv n SER 57 Ca 0.06 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.91 3gvv n SER 57 Cb 0.38 -0.96 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 3gvv n SER 57 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3gvv n THR 58 N -0.95 0.00 0.00 6.66 -1.04 -1.22 -3.10 114.28 114.63 3gvv n THR 58 Ca 0.62 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.63 3gvv n THR 58 Cb 0.82 0.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.39 3gvv n THR 58 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gvv n ARG 60 N 0.00 0.14 -3.46 0.00 0.63 -1.06 -4.60 116.66 108.30 3gvv n ARG 60 Ca 0.00 0.16 -0.42 0.00 -0.92 0.00 0.00 57.85 56.66 3gvv n ARG 60 Cb 0.00 -1.67 -0.10 0.00 0.45 0.00 0.00 32.46 31.14 3gvv n ARG 60 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3gvv s SER 61 N -3.81 6.11 0.26 6.15 0.15 -1.18 -4.88 113.70 116.49 3gvv s SER 61 Ca 0.11 -0.78 -0.02 0.00 0.70 0.00 0.00 55.95 55.95 3gvv s SER 61 Cb 0.14 -2.16 0.54 0.00 -1.71 0.00 0.00 66.02 62.83 3gvv s SER 61 CO 0.53 -0.42 1.69 -0.65 1.20 0.00 0.00 173.24 175.60 3gvv h PRO 62 N 8.61 0.32 -0.19 5.44 0.11 -1.82 -1.26 132.00 143.21 3gvv h PRO 62 Ca -0.28 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.78 3gvv h PRO 62 Cb 1.13 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3gvv h PRO 62 CO 0.71 0.21 -0.04 0.93 -0.21 0.00 0.00 178.00 179.61 3gvv h GLU 63 N 0.33 0.28 -0.11 1.05 4.39 -1.96 -2.59 114.58 115.97 3gvv h GLU 63 Ca 0.46 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.98 3gvv h GLU 63 Cb 0.79 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 3gvv h GLU 63 CO -0.50 0.34 -0.42 0.00 -1.16 0.00 0.00 179.01 177.28 3gvv h ALA 64 N 1.69 0.20 -0.50 3.43 0.00 -1.56 -2.60 119.26 119.92 3gvv h ALA 64 Ca 0.06 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3gvv h ALA 64 Cb 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3gvv h ALA 64 CO 0.01 0.32 0.27 0.00 0.00 0.00 0.00 179.25 179.85 3gvv h GLU 67 N -0.23 -0.07 -0.87 0.00 4.57 -1.18 -0.40 114.58 116.39 3gvv h GLU 67 Ca 0.10 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 3gvv h GLU 67 Cb 0.37 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.93 3gvv h GLU 67 CO -0.26 -0.05 0.48 -0.07 -1.18 0.00 0.00 179.01 177.94 3gvv h LEU 68 N -0.07 1.09 -0.89 1.64 3.38 -1.13 -0.14 115.31 119.19 3gvv h LEU 68 Ca 0.17 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3gvv h LEU 68 Cb 0.32 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3gvv h LEU 68 CO -0.38 0.87 0.23 0.74 0.09 0.00 0.00 178.44 179.99 3gvv h THR 69 N 1.22 1.25 0.00 0.22 2.02 0.08 -2.70 112.91 115.00 3gvv h THR 69 Ca 0.31 -0.84 -0.18 0.00 0.77 0.00 0.00 66.41 66.47 3gvv h THR 69 Cb 0.02 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 3gvv h THR 69 CO -0.05 0.33 -0.88 -0.07 0.37 0.00 0.00 175.52 175.22 3gvv h LEU 70 N 1.02 0.00 -0.67 2.58 3.38 -0.65 -3.39 115.31 117.57 3gvv h LEU 70 Ca 0.23 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.32 3gvv h LEU 70 Cb 0.26 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.89 3gvv h LEU 70 CO -0.01 0.87 -0.25 1.56 0.09 0.00 0.00 178.44 180.70 3gvv h GLN 71 N 0.00 -0.07 -0.42 1.13 4.20 -0.68 -0.75 115.11 118.52 3gvv h GLN 71 Ca -0.01 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 3gvv h GLN 71 Cb 1.67 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.45 3gvv h GLN 71 CO 0.11 -0.05 0.08 -1.00 -0.67 0.00 0.00 178.83 177.31 3gvv h PRO 72 N -0.07 0.63 0.00 1.46 0.13 -1.76 -2.60 132.00 129.79 3gvv h PRO 72 Ca 0.30 -0.12 -0.02 0.00 -0.87 0.00 0.00 66.00 65.29 3gvv h PRO 72 Cb 0.54 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.57 3gvv h PRO 72 CO -0.72 0.59 -0.07 -0.07 -0.23 0.00 0.00 178.00 177.50 3gvv h LEU 73 N 0.61 0.00 -0.44 1.56 -0.00 -1.35 0.11 115.31 115.81 3gvv h LEU 73 Ca 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.01 3gvv h LEU 73 Cb 0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.92 3gvv h LEU 73 CO 0.00 0.07 -0.04 0.03 -0.00 0.00 0.00 178.44 178.51 3gvv h ARG 74 N 0.00 0.00 0.03 1.13 3.08 -1.13 -3.32 114.38 114.17 3gvv h ARG 74 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 3gvv h ARG 74 Cb 0.20 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 3gvv h ARG 74 CO 0.01 0.04 -2.02 0.54 -1.07 0.00 0.00 179.97 177.47 3gvv n ARG 75 N -3.12 0.68 -3.81 0.04 5.12 0.25 -4.98 116.66 110.84 3gvv n ARG 75 Ca 0.03 0.20 -0.13 0.00 -1.93 0.00 0.00 57.85 56.02 3gvv n ARG 75 Cb 0.48 -1.68 -0.13 0.00 -1.16 0.00 0.00 32.46 29.97 3gvv n ARG 75 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 3gvv s PHE 76 N -2.56 -0.18 -0.29 -1.55 0.40 -0.34 -5.03 117.98 108.44 3gvv s PHE 76 Ca -0.13 0.45 -0.02 0.00 -0.60 0.00 0.00 56.93 56.63 3gvv s PHE 76 Cb 0.07 0.05 -0.02 0.00 0.51 0.00 0.00 43.02 43.63 3gvv s PHE 76 CO 0.79 -0.10 1.35 -0.35 0.70 0.00 0.00 175.22 177.61 3gvv n PRO 77 N 3.16 0.66 -1.58 0.24 -0.04 -1.26 -4.38 135.00 131.79 3gvv n PRO 77 Ca -0.14 -0.80 -0.31 0.00 -0.04 0.00 0.00 63.50 62.20 3gvv n PRO 77 Cb 0.58 -2.14 0.05 0.00 -0.04 0.00 0.00 33.50 31.95 3gvv n PRO 77 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3gvv s LEU 78 N 0.03 3.19 0.00 1.53 1.43 -1.26 -4.95 118.68 118.65 3gvv s LEU 78 Ca 0.13 1.74 0.16 0.00 -1.03 0.00 0.00 54.13 55.13 3gvv s LEU 78 Cb 0.03 -4.51 0.41 0.00 0.03 0.00 0.00 46.19 42.14 3gvv s LEU 78 CO -0.01 -1.58 1.32 0.47 0.23 0.00 0.00 176.35 176.79 3gvv n ASP 79 N -2.99 3.23 -3.46 2.29 8.00 0.10 -4.90 116.55 118.81 3gvv n ASP 79 Ca 0.08 -1.95 -0.10 0.00 0.71 0.00 0.00 54.79 53.53 3gvv n ASP 79 Cb 0.53 -0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 41.32 3gvv n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gvv s ALA 80 N -1.07 -1.72 -0.03 2.24 0.00 -1.26 -4.38 121.76 115.54 3gvv s ALA 80 Ca 0.32 0.78 0.05 0.00 0.00 0.00 0.00 51.96 53.11 3gvv s ALA 80 Cb 0.17 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 3gvv s ALA 80 CO 0.23 -0.72 -0.16 0.00 0.00 0.00 0.00 175.76 175.12 3gvv s ALA 81 N -3.37 2.61 -0.08 0.00 0.00 -0.72 -4.90 121.76 115.30 3gvv s ALA 81 Ca 0.03 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 50.97 3gvv s ALA 81 Cb -0.01 -0.89 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 3gvv s ALA 81 CO -0.11 0.56 -0.13 -1.50 0.00 0.00 0.00 175.76 174.59 3gvv s ILE 82 N -0.77 3.16 0.33 0.00 2.07 -1.26 0.43 121.20 125.16 3gvv s ILE 82 Ca 0.12 -0.67 -0.29 0.00 -1.41 0.00 0.00 60.65 58.41 3gvv s ILE 82 Cb -0.11 -2.27 -0.10 0.00 0.13 0.00 0.00 42.46 40.11 3gvv s ILE 82 CO 0.02 0.57 1.31 -0.51 -1.91 0.00 0.00 174.94 174.42 3gvv s ILE 83 N -0.39 2.73 -0.20 2.00 1.10 -0.46 -4.84 121.20 121.15 3gvv s ILE 83 Ca 0.04 0.73 -0.29 0.00 -0.51 0.00 0.00 60.65 60.62 3gvv s ILE 83 Cb -0.12 -3.46 0.00 0.00 0.15 0.00 0.00 42.46 39.03 3gvv s ILE 83 CO 0.02 0.17 1.06 0.12 -2.11 0.00 0.00 174.94 174.20 3gvv s PHE 84 N -1.07 3.32 0.33 3.50 5.36 -1.26 -4.92 117.98 123.24 3gvv s PHE 84 Ca 0.49 1.45 -0.17 0.00 -0.96 0.00 0.00 56.93 57.74 3gvv s PHE 84 Cb -0.40 -3.28 0.03 0.00 -0.34 0.00 0.00 43.02 39.04 3gvv s PHE 84 CO 0.52 -0.56 0.72 0.45 -1.46 0.00 0.00 175.22 174.89 3gvv s SER 85 N 1.26 -0.06 -0.07 6.13 0.15 -1.26 -4.78 113.70 115.07 3gvv s SER 85 Ca 0.46 -0.92 0.02 0.00 0.70 0.00 0.00 55.95 56.21 3gvv s SER 85 Cb -0.16 0.77 -0.03 0.00 -1.71 0.00 0.00 66.02 64.89 3gvv s SER 85 CO 0.09 -1.48 -0.12 -0.62 1.20 0.00 0.00 173.24 172.31 3gvv s ASP 86 N -3.01 4.21 0.27 5.45 3.68 -1.26 -5.01 116.67 121.00 3gvv s ASP 86 Ca 0.15 -0.16 0.20 0.00 2.13 0.00 0.00 52.55 54.86 3gvv s ASP 86 Cb -0.05 -1.04 1.01 0.00 -1.45 0.00 0.00 42.92 41.39 3gvv s ASP 86 CO 0.10 0.33 1.60 2.30 0.13 0.00 0.00 175.17 179.62 3gvv n ILE 87 N 2.45 1.10 0.99 4.11 -0.00 -1.26 -1.96 119.36 124.79 3gvv n ILE 87 Ca -0.17 0.61 0.11 0.00 -0.00 0.00 0.00 62.75 63.30 3gvv n ILE 87 Cb 0.52 -1.60 0.55 0.00 -0.00 0.00 0.00 39.64 39.12 3gvv n ILE 87 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 3gvv n LEU 88 N -2.16 0.00 0.02 7.28 4.77 -1.26 -3.79 117.00 121.87 3gvv n LEU 88 Ca -0.01 0.35 0.02 0.00 -0.03 0.00 0.00 56.01 56.35 3gvv n LEU 88 Cb 0.07 -0.35 0.38 0.00 -2.33 0.00 0.00 43.42 41.19 3gvv n LEU 88 CO 0.10 -0.08 1.04 -0.37 -1.33 0.00 0.00 177.39 176.76 3gvv h VAL 89 N 0.00 1.14 0.14 4.08 -1.51 -1.82 -1.90 116.25 116.38 3gvv h VAL 89 Ca 0.00 -0.47 -0.01 0.00 -1.23 0.00 0.00 66.70 65.00 3gvv h VAL 89 Cb 0.26 0.76 0.00 0.00 -2.13 0.00 0.00 31.29 30.19 3gvv h VAL 89 CO 0.00 0.17 -0.07 0.58 -1.23 0.00 0.00 177.57 177.03 3gvv h VAL 90 N 0.47 1.02 -0.55 7.19 2.07 -1.82 0.45 116.25 125.08 3gvv h VAL 90 Ca 0.12 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 3gvv h VAL 90 Cb 0.13 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3gvv h VAL 90 CO -0.01 0.21 0.25 -0.65 0.02 0.00 0.00 177.57 177.40 3gvv h PRO 91 N -0.67 0.77 -0.39 1.57 0.11 -1.78 -1.09 132.00 130.53 3gvv h PRO 91 Ca -0.02 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 3gvv h PRO 91 Cb 0.50 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 3gvv h PRO 91 CO 0.03 0.61 0.21 0.37 -0.21 0.00 0.00 178.00 179.01 3gvv h GLN 92 N 0.77 0.55 -0.04 1.05 4.15 -1.13 -1.87 115.11 118.59 3gvv h GLN 92 Ca 0.19 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.56 3gvv h GLN 92 Cb 0.10 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 3gvv h GLN 92 CO -0.02 0.45 0.03 0.00 -1.93 0.00 0.00 178.83 177.36 3gvv h ALA 93 N 1.07 1.95 0.00 3.38 0.00 0.46 -0.52 119.26 125.60 3gvv h ALA 93 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3gvv h ALA 93 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3gvv h ALA 93 CO -0.02 -0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.46 3gvv n LEU 94 N -4.40 0.00 0.00 0.00 4.77 -0.46 -4.84 117.00 112.07 3gvv n LEU 94 Ca -0.02 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 3gvv n LEU 94 Cb 0.13 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3gvv n LEU 94 CO 0.33 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3gvv n GLY 95 N 0.36 1.74 3.43 -0.72 0.00 -0.21 -0.24 105.19 109.55 3gvv n GLY 95 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3gvv n GLY 95 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gvv s MET 96 N -0.67 3.57 -0.05 1.61 -1.94 -1.03 -4.90 119.30 115.90 3gvv s MET 96 Ca 0.00 -0.55 -0.30 0.00 -1.71 0.00 0.00 55.69 53.13 3gvv s MET 96 Cb 0.00 -2.99 -0.03 0.00 2.01 0.00 0.00 34.83 33.82 3gvv s MET 96 CO 0.00 0.04 1.11 -1.21 -0.01 0.00 0.00 175.02 174.96 3gvv s GLU 97 N 0.89 4.41 0.01 2.03 0.41 -1.26 -4.23 118.70 120.96 3gvv s GLU 97 Ca -0.00 1.57 -0.02 0.00 -0.41 0.00 0.00 54.97 56.10 3gvv s GLU 97 Cb -0.14 -3.51 -0.04 0.00 -1.78 0.00 0.00 34.13 28.65 3gvv s GLU 97 CO 0.02 -0.33 0.20 0.08 -0.49 0.00 0.00 175.26 174.74 3gvv s VAL 98 N 1.83 5.41 0.09 2.63 1.01 -1.26 -4.08 120.40 126.04 3gvv s VAL 98 Ca 0.53 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.40 3gvv s VAL 98 Cb -0.23 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 3gvv s VAL 98 CO 0.23 0.28 -0.19 0.42 0.00 0.00 0.00 175.10 175.83 3gvv s THR 99 N -1.37 1.57 -0.97 3.92 -4.23 0.25 -4.99 115.64 109.83 3gvv s THR 99 Ca 0.29 -1.47 -0.11 0.00 -1.18 0.00 0.00 61.69 59.23 3gvv s THR 99 Cb -0.13 -1.44 0.25 0.00 1.34 0.00 0.00 72.50 72.52 3gvv s THR 99 CO 0.21 -0.08 0.93 -0.04 -0.54 0.00 0.00 174.62 175.10 3gvv s MET 100 N -1.82 3.87 0.28 3.99 -1.94 -1.26 -3.44 119.30 118.98 3gvv s MET 100 Ca 0.05 -2.87 -0.29 0.00 -1.71 0.00 0.00 55.69 50.86 3gvv s MET 100 Cb -0.10 -4.46 -0.10 0.00 2.01 0.00 0.00 34.83 32.18 3gvv s MET 100 CO 0.04 -1.26 1.11 0.08 -0.01 0.00 0.00 175.02 174.97 3gvv s VAL 101 N -0.61 3.47 0.00 -6.03 1.01 -1.25 -4.60 120.40 112.39 3gvv s VAL 101 Ca 0.25 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.69 3gvv s VAL 101 Cb -0.10 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.34 3gvv s VAL 101 CO -0.08 0.35 0.00 -2.65 0.00 0.00 0.00 175.10 172.71 3gvv n PRO 102 N 1.24 0.00 -2.58 2.72 -0.02 -1.26 -0.86 135.00 134.23 3gvv n PRO 102 Ca -0.01 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.26 3gvv n PRO 102 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.93 3gvv n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gvv n GLY 103 N 0.00 -0.48 0.30 -1.23 0.00 -1.26 -4.91 105.19 97.61 3gvv n GLY 103 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.08 3gvv n GLY 103 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3gvv n LYS 104 N -3.28 1.00 0.00 1.61 -0.00 -0.04 -5.13 118.16 112.32 3gvv n LYS 104 Ca -0.20 -0.86 0.00 0.00 -0.00 0.00 0.00 58.31 57.25 3gvv n LYS 104 Cb 0.66 -1.12 0.00 0.00 -0.00 0.00 0.00 35.03 34.57 3gvv n LYS 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3gvv n GLY 105 N 0.64 -0.36 3.60 2.58 0.00 -1.24 -5.01 105.19 105.40 3gvv n GLY 105 Ca 0.05 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 3gvv n GLY 105 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gvv n PRO 106 N 0.00 1.26 -3.35 1.61 -0.04 -1.26 -3.88 135.00 129.34 3gvv n PRO 106 Ca 0.00 0.45 0.02 0.00 -0.04 0.00 0.00 63.50 63.94 3gvv n PRO 106 Cb 0.00 -2.01 -0.04 0.00 -0.04 0.00 0.00 33.50 31.41 3gvv n PRO 106 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3gvv s SER 107 N -0.79 -0.51 -0.46 3.54 0.15 -1.22 -4.80 113.70 109.61 3gvv s SER 107 Ca 0.64 0.66 -0.16 0.00 0.70 0.00 0.00 55.95 57.80 3gvv s SER 107 Cb -0.55 1.56 0.06 0.00 -1.71 0.00 0.00 66.02 65.39 3gvv s SER 107 CO 0.56 -0.10 0.39 -0.36 1.20 0.00 0.00 173.24 174.93 3gvv s PHE 108 N 2.44 3.23 0.50 3.44 0.40 -1.17 -0.58 117.98 126.24 3gvv s PHE 108 Ca -0.02 -0.83 0.16 0.00 -0.60 0.00 0.00 56.93 55.65 3gvv s PHE 108 Cb -0.06 -3.06 1.21 0.00 0.51 0.00 0.00 43.02 41.62 3gvv s PHE 108 CO -0.17 -0.76 2.10 -1.00 0.70 0.00 0.00 175.22 176.09 3gvv h PRO 109 N 8.74 0.00 -2.75 0.24 0.13 -1.92 -3.33 132.00 133.11 3gvv h PRO 109 Ca -0.28 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.24 3gvv h PRO 109 Cb 1.11 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.83 3gvv h PRO 109 CO 0.85 0.06 -0.66 0.39 -0.23 0.00 0.00 178.00 178.41 3gvv n GLU 110 N -4.43 1.69 -1.09 0.86 4.71 -1.26 -5.12 120.64 115.99 3gvv n GLU 110 Ca -0.03 -4.28 -0.31 0.00 -0.01 0.00 0.00 57.16 52.53 3gvv n GLU 110 Cb 0.14 -2.14 0.12 0.00 -1.01 0.00 0.00 31.44 28.55 3gvv n GLU 110 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 3gvv s PRO 111 N -1.44 1.65 0.04 3.49 0.04 -1.25 -4.93 135.00 132.60 3gvv s PRO 111 Ca 0.30 1.17 -0.31 0.00 0.04 0.00 0.00 61.00 62.20 3gvv s PRO 111 Cb 0.02 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.67 3gvv s PRO 111 CO -0.14 -2.07 1.32 -0.51 0.04 0.00 0.00 177.00 175.64 3gvv s LEU 112 N -6.19 4.34 0.00 -3.56 1.43 -0.23 -4.91 118.68 109.57 3gvv s LEU 112 Ca 0.63 2.11 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 3gvv s LEU 112 Cb -0.19 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.46 3gvv s LEU 112 CO 0.57 -0.62 0.00 0.54 0.23 0.00 0.00 176.35 177.07 3gvv n ARG 113 N 4.56 0.00 -4.22 1.70 5.12 -1.26 -4.47 116.66 118.09 3gvv n ARG 113 Ca 0.11 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.80 3gvv n ARG 113 Cb 0.44 -0.86 -0.07 0.00 -1.16 0.00 0.00 32.46 30.82 3gvv n ARG 113 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 3gvv s GLU 114 N -1.81 2.25 0.44 5.56 4.04 -1.26 -5.03 118.70 122.89 3gvv s GLU 114 Ca 0.00 -1.60 0.10 0.00 0.04 0.00 0.00 54.97 53.51 3gvv s GLU 114 Cb 0.00 -2.08 0.98 0.00 0.02 0.00 0.00 34.13 33.04 3gvv s GLU 114 CO 0.00 0.16 2.08 1.49 -1.84 0.00 0.00 175.26 177.15 3gvv h GLU 115 N 1.70 0.37 -0.95 -4.83 4.81 -2.00 -2.46 114.58 111.23 3gvv h GLU 115 Ca -0.43 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.80 3gvv h GLU 115 Cb 1.25 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 3gvv h GLU 115 CO 0.64 0.26 0.62 0.37 -0.73 0.00 0.00 179.01 180.17 3gvv h GLN 116 N 0.38 1.19 -1.56 1.92 -0.00 -2.03 -2.56 115.11 112.45 3gvv h GLN 116 Ca 0.10 -0.07 0.50 0.00 -0.00 0.00 0.00 58.65 59.18 3gvv h GLN 116 Cb -0.03 -0.27 -0.11 0.00 0.00 0.00 0.00 27.48 27.07 3gvv h GLN 116 CO -0.02 0.79 1.06 -0.25 0.00 0.00 0.00 178.83 180.41 3gvv n ASP 117 N -4.46 0.13 0.24 -0.69 8.00 -0.93 -0.39 116.55 118.44 3gvv n ASP 117 Ca 0.12 1.20 0.14 0.00 0.71 0.00 0.00 54.79 56.96 3gvv n ASP 117 Cb 0.06 -0.59 0.80 0.00 -0.02 0.00 0.00 41.12 41.38 3gvv n ASP 117 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3gvv h LEU 118 N 0.00 0.00 -2.10 0.64 3.38 -1.64 0.15 115.31 115.73 3gvv h LEU 118 Ca 0.88 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.93 3gvv h LEU 118 Cb 3.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 43.84 3gvv h LEU 118 CO -0.28 0.00 0.29 -0.33 0.09 0.00 0.00 178.44 178.20 3gvv h GLU 119 N 0.00 0.00 0.00 1.13 5.08 -0.94 -1.79 114.58 118.06 3gvv h GLU 119 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3gvv h GLU 119 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3gvv h GLU 119 CO -0.00 0.00 0.00 -0.09 -1.00 0.00 0.00 179.01 177.92 3gvv h ARG 120 N 0.00 0.00 -6.79 2.33 2.43 -1.16 -3.45 114.38 107.75 3gvv h ARG 120 Ca 0.14 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.83 3gvv h ARG 120 Cb 0.71 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 3gvv h ARG 120 CO -0.00 0.00 0.14 -0.51 -1.51 0.00 0.00 179.97 178.09 3gvv s LEU 121 N -6.08 4.02 0.74 3.80 1.43 -0.67 -4.84 118.68 117.08 3gvv s LEU 121 Ca -0.02 1.33 -0.13 0.00 -1.03 0.00 0.00 54.13 54.29 3gvv s LEU 121 Cb 0.11 -4.15 0.04 0.00 0.03 0.00 0.00 46.19 42.22 3gvv s LEU 121 CO 0.47 -0.25 1.12 -0.13 0.23 0.00 0.00 176.35 177.79 3gvv s ARG 122 N -3.08 2.31 0.21 1.70 0.52 0.67 -4.99 118.95 116.29 3gvv s ARG 122 Ca 0.55 1.40 -0.31 0.00 -0.52 0.00 0.00 55.73 56.84 3gvv s ARG 122 Cb -0.10 -1.89 -0.11 0.00 0.52 0.00 0.00 34.95 33.37 3gvv s ARG 122 CO 0.18 -1.63 1.63 0.34 0.02 0.00 0.00 175.30 175.84 3gvv s ASP 123 N -2.77 6.47 0.42 0.23 -1.08 -1.26 -4.91 116.67 113.77 3gvv s ASP 123 Ca 0.66 2.78 0.14 0.00 -0.52 0.00 0.00 52.55 55.61 3gvv s ASP 123 Cb -0.21 -2.60 1.00 0.00 -1.46 0.00 0.00 42.92 39.65 3gvv s ASP 123 CO 0.49 -0.90 1.93 -0.65 0.52 0.00 0.00 175.17 176.57 3gvv h PRO 124 N 6.41 0.45 -0.12 4.34 0.11 -1.92 -2.99 132.00 138.28 3gvv h PRO 124 Ca -0.44 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.58 3gvv h PRO 124 Cb 1.21 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3gvv h PRO 124 CO 0.91 0.30 -0.24 1.05 -0.21 0.00 0.00 178.00 179.80 3gvv h GLU 125 N 0.46 0.21 0.00 1.05 -0.00 -1.91 -2.75 114.58 111.65 3gvv h GLU 125 Ca 0.35 -0.07 0.00 0.00 -0.00 0.00 0.00 59.36 59.64 3gvv h GLU 125 Cb 0.72 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.45 3gvv h GLU 125 CO -0.11 0.45 0.00 -0.39 -0.00 0.00 0.00 179.01 178.96 3gvv h VAL 126 N 0.20 0.00 -0.36 -1.06 -1.51 -1.93 -3.36 116.25 108.23 3gvv h VAL 126 Ca 0.03 -0.65 0.08 0.00 -1.23 0.00 0.00 66.70 64.93 3gvv h VAL 126 Cb 0.54 1.62 -0.08 0.00 -2.13 0.00 0.00 31.29 31.24 3gvv h VAL 126 CO 0.04 0.00 -0.18 0.58 -1.23 0.00 0.00 177.57 176.78 3gvv h VAL 127 N 0.00 0.46 -0.95 7.19 2.07 -1.60 -0.98 116.25 122.44 3gvv h VAL 127 Ca 0.00 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.79 3gvv h VAL 127 Cb 0.68 0.46 -0.18 0.00 -1.52 0.00 0.00 31.29 30.74 3gvv h VAL 127 CO 0.00 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.62 3gvv n ALA 128 N -2.81 0.50 0.24 1.67 0.00 -1.26 0.16 120.51 119.02 3gvv n ALA 128 Ca 0.01 1.02 0.11 0.00 0.00 0.00 0.00 53.44 54.59 3gvv n ALA 128 Cb 0.27 -0.75 0.60 0.00 0.00 0.00 0.00 19.45 19.57 3gvv n ALA 128 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gvv h SER 129 N 0.00 0.00 0.99 0.00 4.64 -1.44 -1.97 113.55 115.77 3gvv h SER 129 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 3gvv h SER 129 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3gvv h SER 129 CO -0.89 0.18 0.00 -0.62 -0.87 0.00 0.00 176.83 174.62 3gvv n GLU 130 N -3.54 0.15 -0.71 4.77 -0.58 0.42 -3.56 120.64 117.59 3gvv n GLU 130 Ca -0.01 0.24 0.02 0.00 -0.42 0.00 0.00 57.16 56.99 3gvv n GLU 130 Cb 0.33 -1.71 0.27 0.00 -0.57 0.00 0.00 31.44 29.75 3gvv n GLU 130 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3gvv n LEU 131 N -1.98 4.69 -0.27 -4.62 4.77 -0.74 -4.63 117.00 114.22 3gvv n LEU 131 Ca 0.04 -3.23 0.10 0.00 -0.03 0.00 0.00 56.01 52.90 3gvv n LEU 131 Cb 0.31 -0.63 0.35 0.00 -2.33 0.00 0.00 43.42 41.12 3gvv n LEU 131 CO 0.24 0.83 1.22 1.23 -1.33 0.00 0.00 177.39 179.58 3gvv h GLY 132 N 2.00 1.24 0.62 -0.72 0.00 -1.63 -1.37 103.07 103.21 3gvv h GLY 132 Ca 0.13 -0.32 0.12 0.00 0.00 0.00 0.00 47.33 47.25 3gvv h GLY 132 CO 0.43 0.12 0.58 0.10 0.00 0.00 0.00 176.54 177.77 3gvv h TYR 133 N 0.76 0.91 0.05 5.60 -0.00 -1.90 -1.68 116.97 120.71 3gvv h TYR 133 Ca 0.44 0.03 -0.00 0.00 0.00 0.00 0.00 58.73 59.19 3gvv h TYR 133 Cb 0.62 -0.29 0.00 0.00 0.00 0.00 0.00 36.73 37.06 3gvv h TYR 133 CO -0.00 0.38 -0.02 0.28 -0.00 0.00 0.00 178.16 178.79 3gvv h VAL 134 N 0.81 1.16 -0.92 -0.90 2.07 -1.53 -1.02 116.25 115.91 3gvv h VAL 134 Ca 0.43 -0.70 0.16 0.00 0.82 0.00 0.00 66.70 67.42 3gvv h VAL 134 Cb 0.54 1.62 -0.08 0.00 -1.52 0.00 0.00 31.29 31.85 3gvv h VAL 134 CO -0.20 0.18 0.59 -0.26 0.02 0.00 0.00 177.57 177.90 3gvv h PHE 135 N -0.38 0.81 -0.45 1.57 0.05 -1.28 0.14 116.94 117.39 3gvv h PHE 135 Ca -0.01 0.02 -0.14 0.00 3.82 0.00 0.00 57.97 61.67 3gvv h PHE 135 Cb 0.34 -0.25 -0.01 0.00 2.00 0.00 0.00 35.95 38.03 3gvv h PHE 135 CO 0.03 0.26 -0.27 0.37 -0.18 0.00 0.00 178.31 178.52 3gvv h GLN 136 N 0.65 0.97 -0.07 1.51 4.15 -1.12 -2.48 115.11 118.72 3gvv h GLN 136 Ca 0.48 -0.44 -0.11 0.00 0.77 0.00 0.00 58.65 59.34 3gvv h GLN 136 Cb 0.85 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 3gvv h GLN 136 CO -0.23 1.11 -0.47 0.00 -1.93 0.00 0.00 178.83 177.31 3gvv h ALA 137 N 0.86 1.07 0.14 3.38 0.00 0.57 -1.21 119.26 124.07 3gvv h ALA 137 Ca 0.09 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3gvv h ALA 137 Cb 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3gvv h ALA 137 CO 0.08 0.63 -0.07 0.82 0.00 0.00 0.00 179.25 180.71 3gvv h ILE 138 N 0.15 1.01 -0.35 0.00 2.04 -0.91 0.14 117.51 119.59 3gvv h ILE 138 Ca 0.01 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.17 3gvv h ILE 138 Cb 0.90 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.40 3gvv h ILE 138 CO 0.07 0.17 0.17 0.74 0.00 0.00 0.00 178.15 179.30 3gvv h THR 139 N -0.54 0.98 -0.45 -0.27 2.02 -1.27 0.67 112.91 114.06 3gvv h THR 139 Ca -0.02 -0.12 0.09 0.00 0.77 0.00 0.00 66.41 67.13 3gvv h THR 139 Cb 0.42 0.59 -0.09 0.00 -1.74 0.00 0.00 68.15 67.33 3gvv h THR 139 CO 0.03 0.07 -0.17 0.25 0.37 0.00 0.00 175.52 176.06 3gvv h LEU 140 N 0.36 -0.61 -0.35 2.58 5.85 -1.24 -2.04 115.31 119.87 3gvv h LEU 140 Ca 0.15 0.16 -0.19 0.00 0.84 0.00 0.00 57.88 58.83 3gvv h LEU 140 Cb 0.06 0.35 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 3gvv h LEU 140 CO -0.10 -0.21 -0.80 0.74 -0.34 0.00 0.00 178.44 177.74 3gvv h THR 141 N -0.08 1.41 -0.77 1.05 2.02 0.98 -2.44 112.91 115.08 3gvv h THR 141 Ca 0.22 -2.29 -0.01 0.00 0.77 0.00 0.00 66.41 65.10 3gvv h THR 141 Cb 0.41 2.24 -0.04 0.00 -1.74 0.00 0.00 68.15 69.02 3gvv h THR 141 CO -0.50 0.68 0.44 -0.09 0.37 0.00 0.00 175.52 176.42 3gvv h ARG 142 N 0.23 1.05 -0.55 6.66 9.65 0.40 -1.29 114.38 130.53 3gvv h ARG 142 Ca -0.04 -0.10 -0.06 0.00 -1.10 0.00 0.00 59.98 58.67 3gvv h ARG 142 Cb 1.39 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 3gvv h ARG 142 CO 0.13 0.75 0.09 0.37 2.80 0.00 0.00 179.97 184.11 3gvv h GLN 143 N 1.06 0.91 0.00 0.20 5.75 -1.15 -3.02 115.11 118.86 3gvv h GLN 143 Ca 0.27 -0.24 -0.06 0.00 -0.15 0.00 0.00 58.65 58.47 3gvv h GLN 143 Cb -0.02 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 3gvv h GLN 143 CO -0.05 0.87 -0.50 0.00 -2.65 0.00 0.00 178.83 176.51 3gvv h ARG 144 N 0.80 0.00 -0.00 1.69 2.47 -1.13 -2.66 114.38 115.54 3gvv h ARG 144 Ca 0.17 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.79 3gvv h ARG 144 Cb 0.41 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 3gvv h ARG 144 CO 0.01 0.25 -0.48 -0.07 0.56 0.00 0.00 179.97 180.24 3gvv h LEU 145 N 0.00 0.00 -1.36 3.04 3.38 -1.28 -3.46 115.31 115.62 3gvv h LEU 145 Ca -0.02 -0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.56 3gvv h LEU 145 Cb 1.23 -0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.09 3gvv h LEU 145 CO 0.03 0.48 -0.76 0.00 0.09 0.00 0.00 178.44 178.28 3gvv n ALA 146 N -2.45 -1.72 -0.96 1.53 0.00 -1.00 -1.64 120.51 114.27 3gvv n ALA 146 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3gvv n ALA 146 Cb 0.49 -3.46 0.00 0.00 0.00 0.00 0.00 19.45 16.48 3gvv n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvv n GLY 147 N -1.56 0.90 0.34 0.00 0.00 -1.26 -4.87 105.19 98.73 3gvv n GLY 147 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 3gvv n GLY 147 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3gvv h ARG 148 N 2.70 -0.78 -4.52 1.61 2.43 -1.62 0.66 114.38 114.87 3gvv h ARG 148 Ca 0.00 0.05 -0.21 0.00 -0.81 0.00 0.00 59.98 59.01 3gvv h ARG 148 Cb 0.00 0.18 -0.15 0.00 -0.42 0.00 0.00 29.97 29.58 3gvv h ARG 148 CO 0.00 -0.50 -0.63 0.14 -1.51 0.00 0.00 179.97 177.46 3gvv s VAL 149 N -5.88 0.07 0.81 0.20 -7.23 -1.26 -3.10 120.40 104.01 3gvv s VAL 149 Ca -0.17 -1.96 -0.12 0.00 -1.81 0.00 0.00 61.98 57.93 3gvv s VAL 149 Cb 0.03 -2.27 0.07 0.00 0.56 0.00 0.00 36.38 34.78 3gvv s VAL 149 CO 0.61 -0.24 1.10 -2.16 -0.31 0.00 0.00 175.10 174.10 3gvv s PRO 150 N -4.10 2.01 -0.13 4.82 0.04 -1.26 -4.79 135.00 131.59 3gvv s PRO 150 Ca 0.31 0.57 0.02 0.00 0.04 0.00 0.00 61.00 61.94 3gvv s PRO 150 Cb 0.07 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.71 3gvv s PRO 150 CO 0.07 -1.66 -0.17 -1.17 0.04 0.00 0.00 177.00 174.11 3gvv s LEU 151 N -5.78 1.87 -0.19 -3.56 2.96 -1.26 -1.76 118.68 110.96 3gvv s LEU 151 Ca 0.61 -0.51 -0.16 0.00 -0.22 0.00 0.00 54.13 53.85 3gvv s LEU 151 Cb -0.14 -1.25 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 3gvv s LEU 151 CO 0.54 0.02 0.39 -0.63 -1.32 0.00 0.00 176.35 175.34 3gvv s ILE 152 N 1.09 5.22 0.73 6.68 1.01 0.17 0.08 121.20 136.18 3gvv s ILE 152 Ca -0.03 0.70 -0.04 0.00 0.00 0.00 0.00 60.65 61.28 3gvv s ILE 152 Cb -0.14 -3.72 0.11 0.00 0.01 0.00 0.00 42.46 38.72 3gvv s ILE 152 CO -0.05 0.28 1.02 -0.83 0.00 0.00 0.00 174.94 175.35 3gvv s GLY 153 N 0.93 1.76 -0.08 6.18 0.00 0.12 -1.35 107.32 114.88 3gvv s GLY 153 Ca 0.19 -1.45 -0.30 0.00 0.00 0.00 0.00 44.72 43.16 3gvv s GLY 153 CO 0.07 -0.92 0.95 -0.11 0.00 0.00 0.00 173.10 173.09 3gvv s PHE 154 N -3.22 -0.35 0.21 1.90 -0.12 -1.26 -0.30 117.98 114.85 3gvv s PHE 154 Ca 0.65 0.39 -0.11 0.00 -0.05 0.00 0.00 56.93 57.81 3gvv s PHE 154 Cb -0.07 0.50 -0.01 0.00 -0.63 0.00 0.00 43.02 42.82 3gvv s PHE 154 CO 0.45 -0.44 0.39 0.00 -0.05 0.00 0.00 175.22 175.57 3gvv s ALA 155 N -2.22 -0.12 0.08 1.99 0.00 -0.66 -4.95 121.76 115.87 3gvv s ALA 155 Ca 0.02 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 50.99 3gvv s ALA 155 Cb -0.01 1.01 -0.06 0.00 0.00 0.00 0.00 23.12 24.06 3gvv s ALA 155 CO -0.04 -0.76 0.44 0.20 0.00 0.00 0.00 175.76 175.60 3gvv s GLY 156 N -3.00 2.40 0.58 0.00 0.00 -1.26 -1.83 107.32 104.20 3gvv s GLY 156 Ca 0.21 -0.29 -0.18 0.00 0.00 0.00 0.00 44.72 44.46 3gvv s GLY 156 CO 0.05 -0.03 1.13 0.00 0.00 0.00 0.00 173.10 174.26 3gvv s ALA 157 N -1.36 2.62 0.19 3.20 0.00 0.44 -4.77 121.76 122.08 3gvv s ALA 157 Ca 0.33 0.78 -0.20 0.00 0.00 0.00 0.00 51.96 52.86 3gvv s ALA 157 Cb -0.15 -3.36 0.12 0.00 0.00 0.00 0.00 23.12 19.74 3gvv s ALA 157 CO 0.18 -0.94 1.59 -1.35 0.00 0.00 0.00 175.76 175.24 3gvv h PRO 158 N 0.88 -0.16 -0.73 0.00 0.11 -1.92 -0.41 132.00 129.77 3gvv h PRO 158 Ca -0.49 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.67 3gvv h PRO 158 Cb 1.26 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.36 3gvv h PRO 158 CO 0.56 -0.11 0.46 2.35 -0.21 0.00 0.00 178.00 181.05 3gvv h TRP 159 N -0.16 0.85 -0.17 0.65 2.91 -1.91 0.34 115.95 118.46 3gvv h TRP 159 Ca 0.23 0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.30 3gvv h TRP 159 Cb 0.54 -0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 28.88 3gvv h TRP 159 CO -0.61 0.47 -0.03 1.15 -1.03 0.00 0.00 178.44 178.39 3gvv h THR 160 N 0.88 0.84 -0.45 2.65 2.02 -1.42 -1.06 112.91 116.38 3gvv h THR 160 Ca 0.30 -0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.43 3gvv h THR 160 Cb 0.05 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3gvv h THR 160 CO -0.12 0.00 0.06 -0.07 0.37 0.00 0.00 175.52 175.76 3gvv h LEU 161 N 0.01 0.65 -0.71 2.58 3.38 -0.73 -0.37 115.31 120.13 3gvv h LEU 161 Ca 0.08 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3gvv h LEU 161 Cb 0.12 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 3gvv h LEU 161 CO -0.16 0.68 0.40 -0.03 0.09 0.00 0.00 178.44 179.42 3gvv h MET 162 N 0.66 0.72 -0.74 1.13 4.05 0.07 -0.76 114.93 120.07 3gvv h MET 162 Ca 0.14 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.46 3gvv h MET 162 Cb 0.33 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 30.93 3gvv h MET 162 CO 0.01 0.48 0.22 1.79 0.23 0.00 0.00 176.91 179.63 3gvv h THR 163 N 0.74 1.26 -0.74 -0.77 1.35 0.14 0.11 112.91 115.01 3gvv h THR 163 Ca 0.31 -0.94 -0.06 0.00 -0.55 0.00 0.00 66.41 65.17 3gvv h THR 163 Cb 0.19 0.46 -0.03 0.00 -1.73 0.00 0.00 68.15 67.04 3gvv h THR 163 CO -0.18 0.37 0.21 1.88 -0.25 0.00 0.00 175.52 177.54 3gvv h TYR 164 N 1.11 1.21 -0.19 4.73 -1.99 -1.13 0.60 116.97 121.30 3gvv h TYR 164 Ca 0.24 -0.13 -0.14 0.00 2.00 0.00 0.00 58.73 60.69 3gvv h TYR 164 Cb 0.33 -0.35 -0.01 0.00 2.00 0.00 0.00 36.73 38.71 3gvv h TYR 164 CO 0.03 0.96 -0.48 0.52 -0.00 0.00 0.00 178.16 179.19 3gvv h MET 165 N 1.11 0.51 0.07 4.88 2.86 -0.19 0.58 114.93 124.75 3gvv h MET 165 Ca 0.24 -0.29 -0.28 0.00 -2.06 0.00 0.00 59.70 57.31 3gvv h MET 165 Cb 0.34 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3gvv h MET 165 CO -0.00 0.87 -1.52 0.28 1.06 0.00 0.00 176.91 177.60 3gvv h VAL 166 N 0.41 0.86 0.00 -2.22 2.07 -0.77 -0.60 116.25 115.99 3gvv h VAL 166 Ca 0.02 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.25 3gvv h VAL 166 Cb 0.98 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 3gvv h VAL 166 CO 0.09 0.61 0.00 -0.33 0.02 0.00 0.00 177.57 177.96 3gvv h GLU 167 N -0.47 0.00 0.00 1.57 4.39 0.15 -3.40 114.58 116.82 3gvv h GLU 167 Ca -0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.34 3gvv h GLU 167 Cb 1.65 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.30 3gvv h GLU 167 CO -0.04 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.22 3gvv n GLY 168 N 0.75 2.28 0.00 -3.84 0.00 0.20 -4.78 105.19 99.80 3gvv n GLY 168 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3gvv n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gvv n GLY 169 N 0.00 1.44 3.99 -0.02 0.00 -1.26 -3.05 105.19 106.28 3gvv n GLY 169 Ca 0.00 -1.64 -0.19 0.00 0.00 0.00 0.00 46.02 44.19 3gvv n GLY 169 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gvv s GLY 170 N 0.00 1.58 -0.22 -0.02 0.00 -1.26 -4.67 107.32 102.73 3gvv s GLY 170 Ca 0.00 -1.45 -0.26 0.00 0.00 0.00 0.00 44.72 43.00 3gvv s GLY 170 CO 0.00 -1.37 0.76 -0.45 0.00 0.00 0.00 173.10 172.04 3gvv s SER 171 N -4.16 -0.68 0.40 1.64 0.15 -1.26 -5.05 113.70 104.74 3gvv s SER 171 Ca 0.45 1.18 0.20 0.00 0.70 0.00 0.00 55.95 58.47 3gvv s SER 171 Cb -0.09 1.15 0.84 0.00 -1.71 0.00 0.00 66.02 66.20 3gvv s SER 171 CO 0.31 -0.32 1.81 -1.28 1.20 0.00 0.00 173.24 174.96 3gvv h SER 172 N 4.37 0.00 0.00 5.45 0.87 -2.04 -3.38 113.55 118.82 3gvv h SER 172 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 3gvv h SER 172 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 3gvv h SER 172 CO 0.14 0.32 -0.89 0.35 -0.53 0.00 0.00 176.83 176.22 3gvv n THR 173 N -3.63 0.00 -2.09 2.23 -2.24 -1.26 -5.01 114.28 102.28 3gvv n THR 173 Ca -0.01 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.60 3gvv n THR 173 Cb 0.44 0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 3gvv n THR 173 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3gvv n MET 174 N -1.40 -1.32 0.20 -0.78 0.00 -1.26 -4.93 117.12 107.63 3gvv n MET 174 Ca 0.00 0.91 -0.15 0.00 0.00 0.00 0.00 57.70 58.46 3gvv n MET 174 Cb 0.06 -5.30 -0.08 0.00 0.00 0.00 0.00 33.22 27.90 3gvv n MET 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3gvv h ALA 175 N 0.58 -0.44 -1.00 3.04 0.00 -1.95 0.63 119.26 120.12 3gvv h ALA 175 Ca -0.39 -0.10 0.21 0.00 0.00 0.00 0.00 54.91 54.63 3gvv h ALA 175 Cb 1.25 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 19.10 3gvv h ALA 175 CO 0.49 -0.74 0.61 1.96 0.00 0.00 0.00 179.25 181.56 3gvv h GLN 176 N -0.46 0.68 -0.01 0.00 1.08 -1.95 0.17 115.11 114.62 3gvv h GLN 176 Ca -0.05 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.04 3gvv h GLN 176 Cb 0.35 -0.15 0.01 0.00 -0.05 0.00 0.00 27.48 27.63 3gvv h GLN 176 CO 0.07 0.45 -0.28 0.00 -0.95 0.00 0.00 178.83 178.12 3gvv h ALA 177 N 1.68 0.05 -0.50 3.87 0.00 -1.68 -2.80 119.26 119.88 3gvv h ALA 177 Ca 0.61 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3gvv h ALA 177 Cb 1.02 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3gvv h ALA 177 CO -0.42 0.12 0.12 0.87 0.00 0.00 0.00 179.25 179.94 3gvv h LYS 178 N -0.40 0.76 -0.89 0.00 1.57 -0.61 -0.86 116.57 116.14 3gvv h LYS 178 Ca -0.03 -0.15 0.19 0.00 -1.87 0.00 0.00 60.65 58.79 3gvv h LYS 178 Cb 1.01 -0.12 -0.11 0.00 0.08 0.00 0.00 32.23 33.09 3gvv h LYS 178 CO 0.06 0.69 0.45 -0.09 -0.57 0.00 0.00 179.45 179.98 3gvv h ARG 179 N 0.74 0.53 -0.43 3.15 2.43 -0.59 0.02 114.38 120.22 3gvv h ARG 179 Ca 0.16 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3gvv h ARG 179 Cb 0.28 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3gvv h ARG 179 CO -0.00 0.35 0.26 -1.49 -1.51 0.00 0.00 179.97 177.58 3gvv h TRP 180 N 0.54 0.57 -0.67 2.20 4.06 -0.89 0.34 115.95 122.10 3gvv h TRP 180 Ca 0.53 -0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.52 3gvv h TRP 180 Cb 0.88 -0.19 -0.05 0.00 -1.00 0.00 0.00 29.16 28.80 3gvv h TRP 180 CO -0.10 0.41 0.40 -0.07 -3.56 0.00 0.00 178.44 175.52 3gvv h LEU 181 N 0.57 0.61 0.20 -4.49 3.38 -0.64 0.74 115.31 115.68 3gvv h LEU 181 Ca 0.16 0.02 -0.33 0.00 0.09 0.00 0.00 57.88 57.81 3gvv h LEU 181 Cb 0.00 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 40.66 3gvv h LEU 181 CO -0.03 0.41 -1.57 1.88 0.09 0.00 0.00 178.44 179.22 3gvv h TYR 182 N 0.75 0.78 0.00 1.13 -1.99 -0.88 -3.29 116.97 113.47 3gvv h TYR 182 Ca 0.29 -0.57 -0.04 0.00 2.00 0.00 0.00 58.73 60.40 3gvv h TYR 182 Cb 0.12 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 38.81 3gvv h TYR 182 CO -0.06 1.61 -0.97 1.96 -0.00 0.00 0.00 178.16 180.69 3gvv h GLN 183 N 0.05 0.00 -1.95 4.88 4.20 -0.29 -3.41 115.11 118.60 3gvv h GLN 183 Ca -0.30 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 57.92 3gvv h GLN 183 Cb 2.07 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 29.45 3gvv h GLN 183 CO 0.20 0.09 -1.12 0.54 -0.67 0.00 0.00 178.83 177.87 3gvv n ARG 184 N -2.80 1.32 -0.23 1.46 1.74 0.26 -4.96 116.66 113.45 3gvv n ARG 184 Ca -0.02 -3.58 0.02 0.00 -0.77 0.00 0.00 57.85 53.50 3gvv n ARG 184 Cb 0.62 -1.75 0.11 0.00 -1.02 0.00 0.00 32.46 30.42 3gvv n ARG 184 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3gvv h PRO 185 N 2.99 0.06 0.59 5.56 0.13 -1.62 0.67 132.00 140.37 3gvv h PRO 185 Ca 0.09 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.19 3gvv h PRO 185 Cb 0.92 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.05 3gvv h PRO 185 CO 0.55 0.04 -0.28 1.96 -0.23 0.00 0.00 178.00 180.04 3gvv h GLN 186 N 0.06 -0.76 -0.94 0.86 4.20 -1.92 0.39 115.11 117.00 3gvv h GLN 186 Ca 0.35 0.05 0.24 0.00 0.06 0.00 0.00 58.65 59.35 3gvv h GLN 186 Cb 0.58 0.17 -0.13 0.00 0.30 0.00 0.00 27.48 28.41 3gvv h GLN 186 CO -0.64 -0.47 0.47 0.00 -0.67 0.00 0.00 178.83 177.52 3gvv h ALA 187 N -0.53 1.59 0.35 3.87 0.00 -1.92 0.37 119.26 123.00 3gvv h ALA 187 Ca -0.08 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3gvv h ALA 187 Cb 0.64 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3gvv h ALA 187 CO 0.13 -0.34 -0.17 0.77 0.00 0.00 0.00 179.25 179.64 3gvv h SER 188 N 0.45 -0.40 -0.83 0.00 0.02 -0.40 0.11 113.55 112.49 3gvv h SER 188 Ca 0.60 -0.07 0.16 0.00 -0.84 0.00 0.00 61.79 61.64 3gvv h SER 188 Cb 1.17 0.10 -0.06 0.00 0.14 0.00 0.00 62.40 63.75 3gvv h SER 188 CO -0.52 -0.17 0.55 0.45 -1.14 0.00 0.00 176.83 175.99 3gvv h HIS 189 N -0.62 0.62 0.30 3.45 -0.00 0.14 -0.94 115.15 118.11 3gvv h HIS 189 Ca -0.05 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.32 3gvv h HIS 189 Cb 0.45 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.67 3gvv h HIS 189 CO -0.02 0.22 -0.15 0.37 -0.00 0.00 0.00 177.93 178.36 3gvv h GLN 190 N 0.51 -0.39 -0.57 2.45 4.15 0.32 -1.92 115.11 119.66 3gvv h GLN 190 Ca 0.42 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.97 3gvv h GLN 190 Cb 0.86 0.09 -0.11 0.00 0.21 0.00 0.00 27.48 28.53 3gvv h GLN 190 CO -0.16 -0.06 -0.31 1.25 -1.93 0.00 0.00 178.83 177.62 3gvv h LEU 191 N -0.89 -1.06 -1.34 -2.39 5.85 -0.49 -1.72 115.31 113.28 3gvv h LEU 191 Ca -0.04 0.22 0.13 0.00 0.84 0.00 0.00 57.88 59.02 3gvv h LEU 191 Cb 0.52 0.54 -0.06 0.00 0.37 0.00 0.00 40.66 42.02 3gvv h LEU 191 CO 0.07 -0.29 0.55 -0.07 -0.34 0.00 0.00 178.44 178.35 3gvv h LEU 192 N -0.15 0.63 -0.12 2.25 3.38 -1.08 -0.09 115.31 120.12 3gvv h LEU 192 Ca 0.23 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 3gvv h LEU 192 Cb 0.54 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3gvv h LEU 192 CO -0.65 0.34 -0.03 -0.09 0.09 0.00 0.00 178.44 178.10 3gvv h ARG 193 N 0.68 0.23 -0.94 1.13 9.65 -0.71 -0.82 114.38 123.60 3gvv h ARG 193 Ca 0.41 -0.09 0.09 0.00 -1.10 0.00 0.00 59.98 59.29 3gvv h ARG 193 Cb 0.62 -0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 29.12 3gvv h ARG 193 CO -0.17 0.53 0.59 0.82 2.80 0.00 0.00 179.97 184.53 3gvv h ILE 194 N -0.08 0.99 -0.34 1.20 2.04 -0.34 0.19 117.51 121.17 3gvv h ILE 194 Ca 0.03 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 3gvv h ILE 194 Cb 0.44 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3gvv h ILE 194 CO 0.01 0.18 0.10 -0.07 0.00 0.00 0.00 178.15 178.37 3gvv h LEU 195 N 1.01 0.51 -0.30 1.44 3.38 -0.84 -0.40 115.31 120.11 3gvv h LEU 195 Ca 0.43 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.20 3gvv h LEU 195 Cb 0.30 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3gvv h LEU 195 CO -0.22 0.59 0.17 0.74 0.09 0.00 0.00 178.44 179.82 3gvv h THR 196 N 0.40 1.03 0.00 0.22 2.02 0.20 0.29 112.91 117.06 3gvv h THR 196 Ca 0.11 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 3gvv h THR 196 Cb 0.27 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3gvv h THR 196 CO -0.00 0.07 -0.27 0.44 0.37 0.00 0.00 175.52 176.12 3gvv h ASP 197 N 0.36 0.00 -0.07 4.18 3.32 -0.62 -1.83 116.42 121.76 3gvv h ASP 197 Ca 0.12 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 3gvv h ASP 197 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3gvv h ASP 197 CO -0.06 0.27 -0.23 0.00 -1.72 0.00 0.00 179.24 177.50 3gvv h ALA 198 N 1.73 0.12 -1.00 3.45 0.00 -0.45 -3.37 119.26 119.75 3gvv h ALA 198 Ca -0.00 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.53 3gvv h ALA 198 Cb 0.65 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 3gvv h ALA 198 CO 0.04 0.11 0.66 -0.07 0.00 0.00 0.00 179.25 179.98 3gvv h LEU 199 N -0.21 1.12 0.66 0.00 3.38 0.33 -2.97 115.31 117.63 3gvv h LEU 199 Ca -0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3gvv h LEU 199 Cb 0.86 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3gvv h LEU 199 CO 0.05 0.79 -0.38 0.58 0.09 0.00 0.00 178.44 179.57 3gvv h VAL 200 N 1.31 0.22 0.00 1.22 2.07 -1.52 0.95 116.25 120.50 3gvv h VAL 200 Ca 0.38 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.89 3gvv h VAL 200 Cb -0.09 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 29.90 3gvv h VAL 200 CO -0.10 0.00 -0.04 1.55 0.02 0.00 0.00 177.57 179.00 3gvv h PRO 201 N -0.98 0.00 -0.03 1.57 0.13 -1.73 -0.67 132.00 130.30 3gvv h PRO 201 Ca -0.08 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.88 3gvv h PRO 201 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 3gvv h PRO 201 CO 0.10 0.04 -0.74 -0.92 -0.23 0.00 0.00 178.00 176.25 3gvv h TYR 202 N 0.00 0.25 0.19 1.56 3.20 -1.13 -2.18 116.97 118.86 3gvv h TYR 202 Ca -0.00 -0.12 -0.28 0.00 3.14 0.00 0.00 58.73 61.47 3gvv h TYR 202 Cb 0.17 -0.04 0.02 0.00 1.54 0.00 0.00 36.73 38.42 3gvv h TYR 202 CO 0.00 0.85 -1.28 -0.07 -1.64 0.00 0.00 178.16 176.03 3gvv h LEU 203 N 0.12 0.62 -0.30 2.82 3.38 0.54 -2.38 115.31 120.11 3gvv h LEU 203 Ca -0.02 -0.93 0.06 0.00 0.09 0.00 0.00 57.88 57.08 3gvv h LEU 203 Cb 1.31 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 3gvv h LEU 203 CO 0.11 1.60 -0.08 0.58 0.09 0.00 0.00 178.44 180.74 3gvv h VAL 204 N -0.11 0.68 -0.85 1.22 2.07 -1.27 -0.58 116.25 117.41 3gvv h VAL 204 Ca -0.24 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.42 3gvv h VAL 204 Cb 1.92 0.68 -0.14 0.00 -1.52 0.00 0.00 31.29 32.23 3gvv h VAL 204 CO 0.19 0.00 -0.37 1.23 0.02 0.00 0.00 177.57 178.64 3gvv h GLY 205 N -0.02 0.02 1.13 2.17 0.00 -1.41 0.59 103.07 105.56 3gvv h GLY 205 Ca 0.14 0.49 -0.00 0.00 0.00 0.00 0.00 47.33 47.96 3gvv h GLY 205 CO -0.31 -0.21 0.53 1.46 0.00 0.00 0.00 176.54 178.01 3gvv h GLN 206 N -0.06 1.15 0.00 4.80 4.20 -0.59 0.58 115.11 125.20 3gvv h GLN 206 Ca 0.31 -0.09 -0.25 0.00 0.06 0.00 0.00 58.65 58.67 3gvv h GLN 206 Cb 0.58 -0.25 0.02 0.00 0.30 0.00 0.00 27.48 28.14 3gvv h GLN 206 CO -0.88 0.80 -0.99 0.28 -0.67 0.00 0.00 178.83 177.36 3gvv h VAL 207 N 1.18 1.30 -0.97 -0.54 2.07 -0.22 0.30 116.25 119.37 3gvv h VAL 207 Ca 0.31 -2.23 0.01 0.00 0.82 0.00 0.00 66.70 65.61 3gvv h VAL 207 Cb -0.07 2.42 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 3gvv h VAL 207 CO -0.06 0.69 0.64 0.58 0.02 0.00 0.00 177.57 179.43 3gvv h VAL 208 N 0.32 1.25 0.00 2.57 2.07 0.77 -1.05 116.25 122.19 3gvv h VAL 208 Ca -0.13 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3gvv h VAL 208 Cb 1.66 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3gvv h VAL 208 CO 0.20 0.24 0.00 0.00 0.02 0.00 0.00 177.57 178.03 3gvv n ALA 209 N -2.37 2.29 0.00 1.67 0.00 0.20 -4.82 120.51 117.48 3gvv n ALA 209 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3gvv n ALA 209 Cb 0.01 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3gvv n ALA 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvv n GLY 210 N 0.36 0.98 3.77 0.00 0.00 -0.40 -2.83 105.19 107.06 3gvv n GLY 210 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3gvv n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvv s ALA 211 N -2.00 3.36 -0.49 4.61 0.00 0.10 -4.87 121.76 122.47 3gvv s ALA 211 Ca 0.00 1.08 0.14 0.00 0.00 0.00 0.00 51.96 53.18 3gvv s ALA 211 Cb 0.00 -3.41 -0.17 0.00 0.00 0.00 0.00 23.12 19.54 3gvv s ALA 211 CO 0.00 -0.50 0.52 1.04 0.00 0.00 0.00 175.76 176.82 3gvv n GLN 212 N 0.64 1.91 -3.70 0.00 6.02 0.11 -4.54 117.38 117.82 3gvv n GLN 212 Ca 0.01 -0.03 -0.12 0.00 -0.01 0.00 0.00 57.00 56.84 3gvv n GLN 212 Cb 0.44 -1.20 -0.07 0.00 1.02 0.00 0.00 30.24 30.43 3gvv n GLN 212 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gvv s ALA 213 N -2.48 -0.88 -0.05 -1.58 0.00 -1.07 -4.06 121.76 111.64 3gvv s ALA 213 Ca 0.03 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.23 3gvv s ALA 213 Cb 0.10 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.54 3gvv s ALA 213 CO 0.58 -0.42 -0.13 -0.51 0.00 0.00 0.00 175.76 175.27 3gvv s LEU 214 N -1.96 1.78 -0.14 0.00 1.43 -0.60 0.15 118.68 119.34 3gvv s LEU 214 Ca -0.06 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 3gvv s LEU 214 Cb -0.01 -0.82 -0.03 0.00 0.03 0.00 0.00 46.19 45.37 3gvv s LEU 214 CO -0.02 0.09 -0.05 -1.58 0.23 0.00 0.00 176.35 175.02 3gvv s GLN 215 N 0.32 3.55 -0.19 1.70 0.74 0.59 -1.57 119.66 124.80 3gvv s GLN 215 Ca -0.08 -0.54 -0.08 0.00 0.05 0.00 0.00 55.36 54.71 3gvv s GLN 215 Cb -0.12 -2.85 -0.04 0.00 1.10 0.00 0.00 33.01 31.09 3gvv s GLN 215 CO 0.02 0.29 0.09 -1.17 -0.55 0.00 0.00 175.29 173.97 3gvv s LEU 216 N 0.23 3.94 -0.31 3.68 2.96 0.13 -1.66 118.68 127.65 3gvv s LEU 216 Ca -0.03 0.12 -0.08 0.00 -0.22 0.00 0.00 54.13 53.92 3gvv s LEU 216 Cb -0.14 -2.01 0.01 0.00 0.50 0.00 0.00 46.19 44.55 3gvv s LEU 216 CO 0.03 0.17 0.12 -0.31 -1.32 0.00 0.00 176.35 175.04 3gvv s TYR 217 N 0.42 3.17 -0.84 5.38 1.51 -0.76 -0.74 117.35 125.49 3gvv s TYR 217 Ca 0.05 -0.84 0.01 0.00 -1.01 0.00 0.00 57.07 55.28 3gvv s TYR 217 Cb -0.12 -2.31 0.26 0.00 -0.11 0.00 0.00 41.96 39.68 3gvv s TYR 217 CO -0.00 -0.54 0.98 -1.91 -1.11 0.00 0.00 175.55 172.97 3gvv n GLU 218 N 4.92 3.15 0.15 -0.62 4.07 0.10 -0.42 120.64 132.00 3gvv n GLU 218 Ca -0.14 -4.59 0.13 0.00 -0.06 0.00 0.00 57.16 52.50 3gvv n GLU 218 Cb 0.48 -2.37 0.51 0.00 -0.06 0.00 0.00 31.44 30.00 3gvv n GLU 218 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 3gvv h SER 219 N 5.00 0.00 -0.71 4.31 0.02 -1.89 -1.84 113.55 118.45 3gvv h SER 219 Ca 0.19 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.67 3gvv h SER 219 Cb 0.68 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 62.93 3gvv h SER 219 CO 1.00 0.00 -0.08 1.41 -1.14 0.00 0.00 176.83 178.01 3gvv n HIS 220 N -2.41 2.40 -0.11 3.45 8.25 -1.26 -4.56 115.22 120.98 3gvv n HIS 220 Ca 0.02 -2.26 -0.12 0.00 -0.26 0.00 0.00 57.72 55.10 3gvv n HIS 220 Cb 0.27 -0.72 -0.03 0.00 1.12 0.00 0.00 29.99 30.63 3gvv n HIS 220 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gvv h ALA 221 N 1.74 0.47 -0.80 -1.41 0.00 -1.62 -3.28 119.26 114.36 3gvv h ALA 221 Ca 0.40 -0.35 0.20 0.00 0.00 0.00 0.00 54.91 55.16 3gvv h ALA 221 Cb 1.42 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 3gvv h ALA 221 CO 0.89 0.40 0.55 0.78 0.00 0.00 0.00 179.25 181.87 3gvv h GLY 222 N 0.48 0.41 2.00 0.00 0.00 -1.65 -1.44 103.07 102.87 3gvv h GLY 222 Ca 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 3gvv h GLY 222 CO 0.05 0.01 -0.21 0.45 0.00 0.00 0.00 176.54 176.84 3gvv h HIS 223 N 0.21 0.00 -3.53 5.60 3.86 -1.90 -3.43 115.15 115.96 3gvv h HIS 223 Ca 0.40 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 59.10 3gvv h HIS 223 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 3gvv h HIS 223 CO -0.00 0.21 0.03 -0.51 0.86 0.00 0.00 177.93 178.52 3gvv s LEU 224 N -6.85 3.90 0.00 2.43 1.43 -0.54 -5.06 118.68 113.98 3gvv s LEU 224 Ca 0.00 0.99 0.03 0.00 -1.03 0.00 0.00 54.13 54.11 3gvv s LEU 224 Cb 0.11 -3.85 0.03 0.00 0.03 0.00 0.00 46.19 42.50 3gvv s LEU 224 CO 0.63 -0.34 0.22 0.61 0.23 0.00 0.00 176.35 177.70 3gvv n GLY 225 N -1.21 2.29 0.39 -3.19 0.00 -1.26 -4.84 105.19 97.37 3gvv n GLY 225 Ca 0.01 -2.18 -0.05 0.00 0.00 0.00 0.00 46.02 43.80 3gvv n GLY 225 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gvv h PRO 226 N 0.00 -0.07 -0.22 1.61 0.11 -1.97 -0.38 132.00 131.08 3gvv h PRO 226 Ca -0.10 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.98 3gvv h PRO 226 Cb 0.42 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 3gvv h PRO 226 CO 0.15 -0.05 -0.02 1.96 -0.21 0.00 0.00 178.00 179.84 3gvv h GLN 227 N -0.07 0.40 -0.08 1.05 7.50 -2.00 -0.98 115.11 120.93 3gvv h GLN 227 Ca 0.26 -0.14 -0.00 0.00 0.50 0.00 0.00 58.65 59.27 3gvv h GLN 227 Cb 0.55 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 28.04 3gvv h GLN 227 CO -0.88 0.60 0.05 -0.07 -1.50 0.00 0.00 178.83 177.04 3gvv h LEU 228 N 0.16 0.10 -0.74 1.46 3.38 -1.93 -2.31 115.31 115.44 3gvv h LEU 228 Ca 0.06 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.07 3gvv h LEU 228 Cb 0.43 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 3gvv h LEU 228 CO 0.01 0.11 0.41 0.15 0.09 0.00 0.00 178.44 179.21 3gvv h PHE 229 N 0.08 0.74 0.00 1.13 3.57 -0.71 0.16 116.94 121.91 3gvv h PHE 229 Ca 0.03 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 3gvv h PHE 229 Cb 0.03 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 3gvv h PHE 229 CO -0.06 0.32 -0.48 -0.91 -2.23 0.00 0.00 178.31 174.95 3gvv h ASN 230 N 0.72 0.00 0.18 0.41 2.35 -1.11 0.22 115.58 118.35 3gvv h ASN 230 Ca 0.34 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.86 3gvv h ASN 230 Cb 0.28 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.65 3gvv h ASN 230 CO -0.22 0.48 -0.94 0.11 -1.65 0.00 0.00 177.43 175.21 3gvv h LYS 231 N 0.00 0.54 0.00 0.81 1.57 -0.41 -3.38 116.57 115.70 3gvv h LYS 231 Ca -0.00 -0.55 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 3gvv h LYS 231 Cb 0.88 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3gvv h LYS 231 CO 0.06 1.18 -0.47 1.19 -0.57 0.00 0.00 179.45 180.84 3gvv n PHE 232 N -3.81 0.00 -0.06 -1.35 3.01 0.37 -4.67 117.46 110.95 3gvv n PHE 232 Ca -0.08 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.29 3gvv n PHE 232 Cb 0.83 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.27 3gvv n PHE 232 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gvv n ALA 233 N -0.92 1.42 -0.20 4.37 0.00 0.11 -4.70 120.51 120.58 3gvv n ALA 233 Ca 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 53.44 52.76 3gvv n ALA 233 Cb 0.00 0.10 0.04 0.00 0.00 0.00 0.00 19.45 19.59 3gvv n ALA 233 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3gvv h LEU 234 N -0.76 -0.84 -1.68 0.00 5.85 -0.89 -0.65 115.31 116.35 3gvv h LEU 234 Ca -0.08 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3gvv h LEU 234 Cb 0.87 0.47 0.00 0.00 0.37 0.00 0.00 40.66 42.37 3gvv h LEU 234 CO -0.05 -0.26 0.00 -0.65 -0.34 0.00 0.00 178.44 177.14 3gvv h PRO 235 N -0.08 0.00 0.06 5.25 0.11 -1.82 0.68 132.00 136.20 3gvv h PRO 235 Ca 0.27 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 66.01 3gvv h PRO 235 Cb 0.51 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.58 3gvv h PRO 235 CO -0.66 0.00 -2.22 0.66 -0.21 0.00 0.00 178.00 175.57 3gvv n TYR 236 N -2.66 0.64 -0.33 0.65 4.02 -0.35 -2.69 117.16 116.44 3gvv n TYR 236 Ca -0.01 0.14 0.18 0.00 -0.01 0.00 0.00 57.90 58.21 3gvv n TYR 236 Cb 0.15 -1.08 0.42 0.00 -0.02 0.00 0.00 39.34 38.81 3gvv n TYR 236 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 3gvv h ILE 237 N -0.01 0.58 -0.15 -0.72 2.04 -0.76 -2.27 117.51 116.22 3gvv h ILE 237 Ca -0.50 -0.19 -0.13 0.00 1.00 0.00 0.00 64.86 65.04 3gvv h ILE 237 Cb 1.95 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3gvv h ILE 237 CO -0.01 0.10 -0.41 0.03 0.00 0.00 0.00 178.15 177.86 3gvv h ARG 238 N 0.55 0.53 0.87 2.37 3.08 -0.94 -3.13 114.38 117.71 3gvv h ARG 238 Ca 0.60 -0.38 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 3gvv h ARG 238 Cb 1.24 0.06 0.01 0.00 0.08 0.00 0.00 29.97 31.36 3gvv h ARG 238 CO -0.36 1.00 -0.44 -0.44 -1.07 0.00 0.00 179.97 178.66 3gvv h ASP 239 N 0.16 -1.05 -0.55 7.04 3.45 -1.26 -0.89 116.42 123.33 3gvv h ASP 239 Ca -0.01 0.04 0.05 0.00 0.43 0.00 0.00 57.03 57.54 3gvv h ASP 239 Cb 1.02 0.28 -0.07 0.00 -0.56 0.00 0.00 39.33 40.00 3gvv h ASP 239 CO 0.09 -0.73 -0.32 0.52 -1.57 0.00 0.00 179.24 177.23 3gvv n VAL 240 N -5.61 -0.37 -0.07 -1.35 0.31 -0.89 0.26 118.33 110.62 3gvv n VAL 240 Ca -0.16 1.70 -0.10 0.00 -0.01 0.00 0.00 64.34 65.77 3gvv n VAL 240 Cb 0.48 -2.13 -0.04 0.00 -0.91 0.00 0.00 33.84 31.24 3gvv n VAL 240 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gvv h ALA 241 N 0.03 -0.37 0.01 3.52 0.00 -1.48 -0.23 119.26 120.74 3gvv h ALA 241 Ca 0.09 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3gvv h ALA 241 Cb 0.22 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3gvv h ALA 241 CO -0.51 -0.81 -0.06 -0.22 0.00 0.00 0.00 179.25 177.64 3gvv h LYS 242 N -0.35 -0.08 -0.61 0.00 3.64 0.78 -1.92 116.57 118.03 3gvv h LYS 242 Ca 0.13 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.59 3gvv h LYS 242 Cb 0.57 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 3gvv h LYS 242 CO -0.47 -0.05 0.41 1.96 -2.27 0.00 0.00 179.45 179.02 3gvv h GLN 243 N -0.08 0.50 -0.18 1.90 4.20 -0.17 -1.81 115.11 119.47 3gvv h GLN 243 Ca -0.00 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 3gvv h GLN 243 Cb 0.08 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 3gvv h GLN 243 CO -0.03 0.33 -0.14 0.28 -0.67 0.00 0.00 178.83 178.60 3gvv h VAL 244 N 0.51 1.33 -0.90 -0.54 2.07 -0.90 -1.21 116.25 116.61 3gvv h VAL 244 Ca 0.27 -1.26 0.08 0.00 0.82 0.00 0.00 66.70 66.61 3gvv h VAL 244 Cb 0.40 1.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.86 3gvv h VAL 244 CO -0.08 0.38 0.58 0.11 0.02 0.00 0.00 177.57 178.58 3gvv h LYS 245 N 0.08 0.93 0.64 1.57 1.57 -0.85 -2.30 116.57 118.21 3gvv h LYS 245 Ca 0.03 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3gvv h LYS 245 Cb 0.66 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 32.76 3gvv h LYS 245 CO 0.04 0.61 -0.31 0.00 -0.57 0.00 0.00 179.45 179.22 3gvv h ALA 246 N 1.53 -0.86 -0.86 3.86 0.00 -1.04 -2.57 119.26 119.33 3gvv h ALA 246 Ca 0.40 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.25 3gvv h ALA 246 Cb 0.31 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 3gvv h ALA 246 CO -0.17 -0.82 0.47 0.00 0.00 0.00 0.00 179.25 178.74 3gvv h ARG 247 N -1.18 0.69 -0.39 0.00 3.08 -1.09 0.35 114.38 115.83 3gvv h ARG 247 Ca -0.09 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 59.99 3gvv h ARG 247 Cb 0.68 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 30.51 3gvv h ARG 247 CO 0.14 0.45 0.02 -0.07 -1.07 0.00 0.00 179.97 179.44 3gvv h LEU 248 N 0.71 -0.12 0.29 3.04 3.38 -1.46 0.48 115.31 121.62 3gvv h LEU 248 Ca 0.45 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.51 3gvv h LEU 248 Cb 0.57 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 3gvv h LEU 248 CO -0.32 -0.03 -0.34 0.03 0.09 0.00 0.00 178.44 177.87 3gvv h ARG 249 N 0.13 -0.65 -1.00 1.13 3.08 0.07 -0.87 114.38 116.27 3gvv h ARG 249 Ca 0.19 0.04 0.23 0.00 0.07 0.00 0.00 59.98 60.52 3gvv h ARG 249 Cb 0.27 0.15 -0.09 0.00 0.08 0.00 0.00 29.97 30.37 3gvv h ARG 249 CO -0.31 -0.43 0.64 0.93 -1.07 0.00 0.00 179.97 179.72 3gvv h GLU 250 N -0.67 0.48 -0.07 0.04 3.07 -0.91 0.21 114.58 116.73 3gvv h GLU 250 Ca -0.01 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3gvv h GLU 250 Cb 0.63 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 3gvv h GLU 250 CO -0.10 0.32 0.00 0.00 -1.40 0.00 0.00 179.01 177.83 3gvv n ALA 251 N -2.44 2.50 -1.92 3.43 0.00 0.14 -4.87 120.51 117.35 3gvv n ALA 251 Ca 0.24 -0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.50 3gvv n ALA 251 Cb 0.76 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.16 3gvv n ALA 251 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvv n GLY 252 N 0.47 0.64 3.79 0.00 0.00 0.06 -4.98 105.19 105.17 3gvv n GLY 252 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3gvv n GLY 252 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gvv s LEU 253 N -4.98 3.91 0.29 0.99 1.43 -0.41 -5.03 118.68 114.89 3gvv s LEU 253 Ca 0.00 0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.91 3gvv s LEU 253 Cb 0.00 -2.42 -0.10 0.00 0.03 0.00 0.00 46.19 43.70 3gvv s LEU 253 CO 0.00 0.23 1.29 0.00 0.23 0.00 0.00 176.35 178.10 3gvv s ALA 254 N -1.30 3.50 0.60 4.21 0.00 -1.26 -4.17 121.76 123.35 3gvv s ALA 254 Ca 0.26 1.20 -0.18 0.00 0.00 0.00 0.00 51.96 53.24 3gvv s ALA 254 Cb -0.12 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 3gvv s ALA 254 CO 0.18 -0.57 1.15 -2.14 0.00 0.00 0.00 175.76 174.38 3gvv s PRO 255 N -1.33 3.03 0.21 0.00 0.02 -1.26 -4.99 135.00 130.68 3gvv s PRO 255 Ca 0.51 1.62 0.08 0.00 0.02 0.00 0.00 61.00 63.22 3gvv s PRO 255 Cb -0.38 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.14 3gvv s PRO 255 CO 0.48 -1.11 0.03 0.14 -0.33 0.00 0.00 177.00 176.21 3gvv s VAL 256 N -1.89 3.79 0.26 3.83 -7.23 -1.26 -5.08 120.40 112.82 3gvv s VAL 256 Ca 0.73 -1.53 -0.30 0.00 -1.81 0.00 0.00 61.98 59.07 3gvv s VAL 256 Cb -0.25 -2.96 -0.10 0.00 0.56 0.00 0.00 36.38 33.63 3gvv s VAL 256 CO 0.33 -0.21 1.31 -2.84 -0.31 0.00 0.00 175.10 173.38 3gvv s PRO 257 N -3.27 4.38 0.00 4.82 0.02 -1.26 -4.86 135.00 134.83 3gvv s PRO 257 Ca 0.29 2.12 0.02 0.00 0.02 0.00 0.00 61.00 63.46 3gvv s PRO 257 Cb -0.08 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 3gvv s PRO 257 CO 0.20 -0.21 -0.00 -1.64 -0.33 0.00 0.00 177.00 175.02 3gvv s MET 258 N -0.85 2.77 -0.10 5.54 -1.94 -1.26 -1.56 119.30 121.90 3gvv s MET 258 Ca 0.53 -0.62 0.01 0.00 -1.71 0.00 0.00 55.69 53.90 3gvv s MET 258 Cb -0.38 -2.66 0.02 0.00 2.01 0.00 0.00 34.83 33.82 3gvv s MET 258 CO 0.44 0.62 -0.10 0.42 -0.01 0.00 0.00 175.02 176.39 3gvv s ILE 259 N -1.09 1.13 -0.19 2.53 1.01 -0.61 -1.10 121.20 122.88 3gvv s ILE 259 Ca 0.20 -0.40 -0.10 0.00 0.00 0.00 0.00 60.65 60.35 3gvv s ILE 259 Cb -0.11 -1.09 -0.05 0.00 0.01 0.00 0.00 42.46 41.21 3gvv s ILE 259 CO 0.10 0.37 0.15 -0.51 0.00 0.00 0.00 174.94 175.06 3gvv s ILE 260 N 1.29 5.40 -0.32 2.92 1.10 -0.55 -0.69 121.20 130.35 3gvv s ILE 260 Ca -0.02 0.24 0.03 0.00 -0.51 0.00 0.00 60.65 60.39 3gvv s ILE 260 Cb -0.14 -3.48 0.09 0.00 0.15 0.00 0.00 42.46 39.08 3gvv s ILE 260 CO -0.04 0.45 0.03 0.12 -2.11 0.00 0.00 174.94 173.39 3gvv s PHE 261 N 0.22 3.41 -0.57 3.50 5.36 0.08 0.35 117.98 130.33 3gvv s PHE 261 Ca 0.10 -2.71 -0.18 0.00 -0.96 0.00 0.00 56.93 53.17 3gvv s PHE 261 Cb -0.11 -2.59 0.11 0.00 -0.34 0.00 0.00 43.02 40.08 3gvv s PHE 261 CO -0.01 -0.92 0.64 0.00 -1.46 0.00 0.00 175.22 173.47 3gvv s ALA 262 N 1.03 3.48 0.15 11.12 0.00 -1.26 0.02 121.76 136.30 3gvv s ALA 262 Ca 0.07 -2.29 -0.31 0.00 0.00 0.00 0.00 51.96 49.43 3gvv s ALA 262 Cb -0.19 -3.45 -0.10 0.00 0.00 0.00 0.00 23.12 19.38 3gvv s ALA 262 CO -0.09 -2.24 1.72 0.21 0.00 0.00 0.00 175.76 175.36 3gvv s LYS 263 N 2.38 4.16 -1.45 0.00 2.47 -0.70 -2.42 119.74 124.18 3gvv s LYS 263 Ca 0.09 2.52 -0.01 0.00 -1.56 0.00 0.00 55.97 57.01 3gvv s LYS 263 Cb -0.26 -3.35 0.00 0.00 -1.46 0.00 0.00 37.83 32.76 3gvv s LYS 263 CO 0.06 -0.76 0.09 -0.25 0.16 0.00 0.00 175.35 174.65 3gvv n ASP 264 N 4.83 -5.15 -2.21 1.43 8.00 -1.26 -2.73 116.55 119.46 3gvv n ASP 264 Ca 0.16 -0.06 -0.31 0.00 0.71 0.00 0.00 54.79 55.30 3gvv n ASP 264 Cb 0.38 -4.19 0.07 0.00 -0.02 0.00 0.00 41.12 37.36 3gvv n ASP 264 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gvv n GLY 265 N -1.08 5.91 0.33 0.44 0.00 -1.02 -4.02 105.19 105.75 3gvv n GLY 265 Ca -0.19 -2.30 0.03 0.00 0.00 0.00 0.00 46.02 43.56 3gvv n GLY 265 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3gvv h HIS 266 N 1.96 0.73 0.00 1.61 2.07 -1.91 -0.42 115.15 119.19 3gvv h HIS 266 Ca 0.54 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 58.08 3gvv h HIS 266 Cb 1.12 -0.25 0.00 0.00 2.57 0.00 0.00 27.41 30.85 3gvv h HIS 266 CO 1.29 0.45 0.00 1.97 -3.07 0.00 0.00 177.93 178.57 3gvv n PHE 267 N -4.45 0.00 0.00 6.12 1.16 -1.26 -3.07 117.46 115.96 3gvv n PHE 267 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.64 3gvv n PHE 267 Cb 0.07 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.94 3gvv n PHE 267 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3gvv n ALA 268 N -0.99 1.92 -0.30 1.98 0.00 -0.19 -4.78 120.51 118.16 3gvv n ALA 268 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.74 3gvv n ALA 268 Cb 0.08 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.82 3gvv n ALA 268 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3gvv h LEU 269 N 0.00 0.18 -0.41 0.00 3.38 -1.43 -2.09 115.31 114.94 3gvv h LEU 269 Ca 0.00 0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.22 3gvv h LEU 269 Cb 0.00 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 3gvv h LEU 269 CO 0.00 -0.07 -0.13 -0.33 0.09 0.00 0.00 178.44 178.00 3gvv h GLU 270 N 0.31 -0.03 0.08 1.13 5.08 -1.85 -1.52 114.58 117.77 3gvv h GLU 270 Ca 0.55 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.65 3gvv h GLU 270 Cb 1.07 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.34 3gvv h GLU 270 CO -0.58 -0.02 -1.13 1.05 -1.00 0.00 0.00 179.01 177.33 3gvv h GLU 271 N -0.03 0.44 -1.00 2.33 9.09 -1.73 -3.08 114.58 120.60 3gvv h GLU 271 Ca 0.20 -0.58 0.12 0.00 0.05 0.00 0.00 59.36 59.15 3gvv h GLU 271 Cb 0.34 0.19 -0.09 0.00 -1.65 0.00 0.00 28.75 27.54 3gvv h GLU 271 CO -0.44 1.23 0.63 -0.07 0.05 0.00 0.00 179.01 180.41 3gvv h LEU 272 N 0.20 0.92 -2.63 3.06 3.38 -1.09 0.34 115.31 119.50 3gvv h LEU 272 Ca -0.13 0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3gvv h LEU 272 Cb 1.80 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.42 3gvv h LEU 272 CO 0.20 0.48 0.07 0.00 0.09 0.00 0.00 178.44 179.28 3gvv h ALA 273 N 1.55 1.31 -0.11 1.53 0.00 -1.19 -2.04 119.26 120.31 3gvv h ALA 273 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3gvv h ALA 273 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3gvv h ALA 273 CO -0.27 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 178.90 3gvv n GLN 274 N -3.40 2.29 0.00 0.00 10.64 0.93 -4.45 117.38 123.39 3gvv n GLN 274 Ca -0.02 -2.31 0.14 0.00 -1.83 0.00 0.00 57.00 52.98 3gvv n GLN 274 Cb 0.14 -1.43 0.74 0.00 -0.86 0.00 0.00 30.24 28.84 3gvv n GLN 274 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3gvv n ALA 275 N -0.74 2.45 -1.80 2.61 0.00 0.38 -4.90 120.51 118.51 3gvv n ALA 275 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3gvv n ALA 275 Cb 0.57 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3gvv n ALA 275 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvv n GLY 276 N 1.19 0.83 3.85 0.00 0.00 -1.26 -4.76 105.19 105.03 3gvv n GLY 276 Ca 0.14 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 3gvv n GLY 276 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gvv s TYR 277 N -2.39 3.32 0.09 1.61 1.51 -1.26 -4.89 117.35 115.34 3gvv s TYR 277 Ca 0.00 0.11 0.08 0.00 -1.01 0.00 0.00 57.07 56.25 3gvv s TYR 277 Cb 0.00 -1.64 -0.21 0.00 -0.11 0.00 0.00 41.96 39.99 3gvv s TYR 277 CO 0.00 0.54 1.17 0.93 -1.11 0.00 0.00 175.55 177.08 3gvv h GLU 278 N 2.86 0.00 -5.31 -0.62 3.07 -1.60 -3.47 114.58 109.50 3gvv h GLU 278 Ca -0.47 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 57.96 3gvv h GLU 278 Cb 1.17 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 28.84 3gvv h GLU 278 CO 0.69 0.91 -0.79 0.08 -1.40 0.00 0.00 179.01 178.50 3gvv s VAL 279 N -2.69 1.10 -0.11 3.13 1.01 -0.26 -2.57 120.40 120.01 3gvv s VAL 279 Ca 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.94 3gvv s VAL 279 Cb 0.10 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.48 3gvv s VAL 279 CO 0.82 -0.04 -0.14 -0.69 0.00 0.00 0.00 175.10 175.05 3gvv s VAL 280 N -0.92 1.44 0.08 2.92 1.01 -0.39 -1.48 120.40 123.05 3gvv s VAL 280 Ca 0.01 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.24 3gvv s VAL 280 Cb -0.08 -1.34 -0.06 0.00 0.00 0.00 0.00 36.38 34.90 3gvv s VAL 280 CO 0.01 0.43 0.51 -0.83 0.00 0.00 0.00 175.10 175.23 3gvv s GLY 281 N 1.14 2.54 0.07 4.51 0.00 0.16 -1.60 107.32 114.14 3gvv s GLY 281 Ca -0.04 -0.11 0.09 0.00 0.00 0.00 0.00 44.72 44.67 3gvv s GLY 281 CO -0.04 0.24 -0.25 1.08 0.00 0.00 0.00 173.10 174.13 3gvv s LEU 282 N -1.45 2.22 0.71 0.66 1.43 0.11 -4.19 118.68 118.17 3gvv s LEU 282 Ca 0.31 -0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 3gvv s LEU 282 Cb -0.17 -1.19 0.11 0.00 0.03 0.00 0.00 46.19 44.97 3gvv s LEU 282 CO 0.18 0.21 0.99 1.51 0.23 0.00 0.00 176.35 179.46 3gvv s ASP 283 N -1.49 4.45 0.00 2.29 3.84 -1.26 -4.50 116.67 120.00 3gvv s ASP 283 Ca 0.11 -0.15 0.31 0.00 -0.00 0.00 0.00 52.55 52.82 3gvv s ASP 283 Cb -0.10 -0.32 1.66 0.00 -1.38 0.00 0.00 42.92 42.79 3gvv s ASP 283 CO 0.03 -1.79 2.10 -2.67 -0.00 0.00 0.00 175.17 172.84 3gvv n TRP 284 N -2.84 0.00 1.08 2.11 2.14 -1.23 -3.39 117.44 115.31 3gvv n TRP 284 Ca 0.13 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.82 3gvv n TRP 284 Cb 0.60 -0.04 0.16 0.00 -0.81 0.00 0.00 31.31 31.22 3gvv n TRP 284 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 3gvv n THR 285 N -0.82 0.00 -3.57 -1.67 -2.24 -1.26 -4.75 114.28 99.97 3gvv n THR 285 Ca 0.21 -0.11 -0.37 0.00 -2.27 0.00 0.00 64.05 61.51 3gvv n THR 285 Cb 0.18 0.71 -0.10 0.00 -2.10 0.00 0.00 70.33 69.02 3gvv n THR 285 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gvv s VAL 286 N -2.69 5.30 0.15 2.28 1.01 -1.22 -5.06 120.40 120.17 3gvv s VAL 286 Ca 0.17 0.30 -0.31 0.00 0.00 0.00 0.00 61.98 62.14 3gvv s VAL 286 Cb 0.18 -3.57 -0.08 0.00 0.00 0.00 0.00 36.38 32.91 3gvv s VAL 286 CO 0.63 0.28 1.35 0.00 0.00 0.00 0.00 175.10 177.36 3gvv s ALA 287 N 1.42 3.55 0.21 5.51 0.00 -1.26 -4.91 121.76 126.29 3gvv s ALA 287 Ca 0.10 1.10 -0.10 0.00 0.00 0.00 0.00 51.96 53.06 3gvv s ALA 287 Cb -0.15 -3.51 0.31 0.00 0.00 0.00 0.00 23.12 19.77 3gvv s ALA 287 CO 0.07 -0.57 1.67 -1.35 0.00 0.00 0.00 175.76 175.59 3gvv h PRO 288 N 6.19 0.16 -0.66 0.00 0.11 -1.96 0.10 132.00 135.95 3gvv h PRO 288 Ca -0.43 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.68 3gvv h PRO 288 Cb 1.21 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 3gvv h PRO 288 CO 0.82 0.10 0.43 0.87 -0.21 0.00 0.00 178.00 180.02 3gvv h LYS 289 N 0.16 0.85 -0.83 1.05 1.57 -1.91 -1.34 116.57 116.12 3gvv h LYS 289 Ca 0.33 -0.05 0.11 0.00 -1.87 0.00 0.00 60.65 59.17 3gvv h LYS 289 Cb 0.53 -0.19 -0.06 0.00 0.08 0.00 0.00 32.23 32.58 3gvv h LYS 289 CO -0.49 0.56 0.54 -0.22 -0.57 0.00 0.00 179.45 179.27 3gvv h LYS 290 N 0.88 0.71 -0.28 3.15 1.63 -1.20 -2.22 116.57 119.24 3gvv h LYS 290 Ca 0.24 -0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 59.87 3gvv h LYS 290 Cb -0.09 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 31.38 3gvv h LYS 290 CO -0.06 0.47 -0.32 0.00 -3.45 0.00 0.00 179.45 176.10 3gvv h ALA 291 N 1.59 0.41 -0.56 5.00 0.00 -0.51 -2.22 119.26 122.98 3gvv h ALA 291 Ca 0.40 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gvv h ALA 291 Cb 0.53 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3gvv h ALA 291 CO -0.16 0.45 0.37 -0.09 0.00 0.00 0.00 179.25 179.82 3gvv h ARG 292 N 0.44 0.73 -0.28 0.00 9.65 -0.81 -0.96 114.38 123.16 3gvv h ARG 292 Ca 0.04 -0.04 0.06 0.00 -1.10 0.00 0.00 59.98 58.94 3gvv h ARG 292 Cb 0.89 -0.16 -0.08 0.00 -1.39 0.00 0.00 29.97 29.23 3gvv h ARG 292 CO 0.08 0.48 -0.37 1.49 2.80 0.00 0.00 179.97 184.45 3gvv h GLU 293 N 0.75 -0.34 0.00 0.20 4.57 -1.43 0.90 114.58 119.23 3gvv h GLU 293 Ca 0.21 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.38 3gvv h GLU 293 Cb -0.08 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.58 3gvv h GLU 293 CO -0.05 -0.23 -0.12 0.00 -1.18 0.00 0.00 179.01 177.43 3gvv n VAL 295 N -3.74 0.04 -4.18 0.00 0.24 -0.48 -3.93 118.33 106.27 3gvv n VAL 295 Ca -0.02 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 3gvv n VAL 295 Cb 0.23 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 3gvv n VAL 295 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gvv n GLY 296 N 1.71 -1.53 1.06 7.63 0.00 0.29 -4.57 105.19 109.78 3gvv n GLY 296 Ca -0.03 -1.30 0.08 0.00 0.00 0.00 0.00 46.02 44.77 3gvv n GLY 296 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gvv n LYS 297 N -0.20 3.23 -0.16 1.61 5.02 -1.26 -4.40 118.16 121.99 3gvv n LYS 297 Ca 0.00 -2.62 0.09 0.00 -2.02 0.00 0.00 58.31 53.76 3gvv n LYS 297 Cb 0.00 -1.70 0.14 0.00 -0.02 0.00 0.00 35.03 33.45 3gvv n LYS 297 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3gvv n THR 298 N 0.34 1.78 -4.32 -0.18 -2.24 -1.26 -4.96 114.28 103.44 3gvv n THR 298 Ca 0.20 -2.20 -0.23 0.00 -2.27 0.00 0.00 64.05 59.55 3gvv n THR 298 Cb 0.76 -0.18 -0.12 0.00 -2.10 0.00 0.00 70.33 68.69 3gvv n THR 298 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3gvv s VAL 299 N -2.70 1.80 0.00 2.28 -7.23 -1.26 -5.05 120.40 108.24 3gvv s VAL 299 Ca 0.30 -1.79 -0.15 0.00 -1.81 0.00 0.00 61.98 58.53 3gvv s VAL 299 Cb 0.27 -1.76 -0.06 0.00 0.56 0.00 0.00 36.38 35.40 3gvv s VAL 299 CO 0.02 -0.22 0.42 -0.89 -0.31 0.00 0.00 175.10 174.11 3gvv s THR 300 N -1.73 5.02 0.08 5.32 2.01 -1.06 -4.96 115.64 120.33 3gvv s THR 300 Ca 0.13 0.86 0.03 0.00 0.31 0.00 0.00 61.69 63.01 3gvv s THR 300 Cb -0.07 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 3gvv s THR 300 CO 0.06 0.57 0.11 -0.76 -0.69 0.00 0.00 174.62 173.92 3gvv s LEU 301 N -1.04 3.92 -0.01 4.42 1.43 -0.31 -1.27 118.68 125.83 3gvv s LEU 301 Ca 0.24 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.39 3gvv s LEU 301 Cb -0.17 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.47 3gvv s LEU 301 CO 0.14 0.16 -0.03 -1.58 0.23 0.00 0.00 176.35 175.27 3gvv s GLN 302 N -2.49 0.25 0.00 1.70 0.74 -0.63 -0.64 119.66 118.60 3gvv s GLN 302 Ca 0.31 -0.09 0.00 0.00 0.05 0.00 0.00 55.36 55.63 3gvv s GLN 302 Cb -0.12 -0.27 0.00 0.00 1.10 0.00 0.00 33.01 33.72 3gvv s GLN 302 CO 0.23 0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.42 3gvv n GLY 303 N 3.15 0.92 2.41 2.59 0.00 -0.98 0.08 105.19 113.35 3gvv n GLY 303 Ca -0.14 -1.94 -0.01 0.00 0.00 0.00 0.00 46.02 43.93 3gvv n GLY 303 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3gvv n ASN 304 N 1.12 0.11 -4.75 1.61 6.94 -0.30 -2.10 115.26 117.88 3gvv n ASN 304 Ca 0.00 -2.09 -0.42 0.00 -0.02 0.00 0.00 54.58 52.06 3gvv n ASN 304 Cb 0.00 0.05 -0.01 0.00 -2.36 0.00 0.00 39.78 37.46 3gvv n ASN 304 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 3gvv n LEU 305 N -0.75 4.46 -4.66 -4.53 7.94 -0.84 -3.47 117.00 115.14 3gvv n LEU 305 Ca -0.06 1.17 -0.42 0.00 -1.11 0.00 0.00 56.01 55.59 3gvv n LEU 305 Cb 0.86 -1.60 -0.03 0.00 0.53 0.00 0.00 43.42 43.18 3gvv n LEU 305 CO -0.05 0.13 1.57 -0.62 -1.11 0.00 0.00 177.39 177.31 3gvv s ASP 306 N 0.29 6.46 0.42 1.96 2.15 -1.26 0.14 116.67 126.83 3gvv s ASP 306 Ca 0.61 2.66 0.17 0.00 0.43 0.00 0.00 52.55 56.42 3gvv s ASP 306 Cb -0.49 -2.54 1.08 0.00 -0.30 0.00 0.00 42.92 40.67 3gvv s ASP 306 CO 0.53 -1.04 1.88 -0.65 -0.17 0.00 0.00 175.17 175.72 3gvv h PRO 307 N 10.25 0.39 0.00 4.34 0.11 -1.90 0.33 132.00 145.51 3gvv h PRO 307 Ca -0.49 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3gvv h PRO 307 Cb 1.23 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3gvv h PRO 307 CO 0.94 0.26 -0.09 0.00 -0.21 0.00 0.00 178.00 178.90 3gvv h ALA 309 N 1.91 2.22 0.00 0.00 0.00 -0.71 0.09 119.26 122.77 3gvv h ALA 309 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gvv h ALA 309 Cb 0.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3gvv h ALA 309 CO 0.01 -0.99 0.00 1.28 0.00 0.00 0.00 179.25 179.55 3gvv n LEU 310 N -3.22 0.00 0.00 0.00 4.77 -0.71 -2.20 117.00 115.64 3gvv n LEU 310 Ca 0.09 0.19 0.12 0.00 -0.03 0.00 0.00 56.01 56.39 3gvv n LEU 310 Cb 0.92 -0.19 0.33 0.00 -2.33 0.00 0.00 43.42 42.15 3gvv n LEU 310 CO 0.19 -0.05 0.57 -1.22 -1.33 0.00 0.00 177.39 175.55 3gvv n TYR 311 N -1.19 0.04 -1.45 -1.77 0.53 0.02 -4.78 117.16 108.56 3gvv n TYR 311 Ca 0.13 0.01 -0.29 0.00 -1.02 0.00 0.00 57.90 56.73 3gvv n TYR 311 Cb 0.15 -0.34 0.17 0.00 -1.03 0.00 0.00 39.34 38.29 3gvv n TYR 311 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3gvv s ALA 312 N -3.01 1.49 0.91 -0.72 0.00 -0.94 -5.03 121.76 114.46 3gvv s ALA 312 Ca 0.11 -0.67 -0.10 0.00 0.00 0.00 0.00 51.96 51.30 3gvv s ALA 312 Cb 0.18 -2.98 0.14 0.00 0.00 0.00 0.00 23.12 20.46 3gvv s ALA 312 CO 0.66 -2.64 1.13 -1.54 0.00 0.00 0.00 175.76 173.37 3gvv s SER 313 N -4.04 3.02 0.45 0.00 1.04 -1.26 -4.81 113.70 108.10 3gvv s SER 313 Ca 0.67 2.08 0.14 0.00 0.48 0.00 0.00 55.95 59.31 3gvv s SER 313 Cb -0.13 -2.53 1.00 0.00 0.10 0.00 0.00 66.02 64.45 3gvv s SER 313 CO 0.54 -3.02 2.00 -0.33 0.98 0.00 0.00 173.24 173.42 3gvv h GLU 314 N -1.81 0.05 -0.17 4.02 5.08 -1.96 -0.45 114.58 119.34 3gvv h GLU 314 Ca -0.45 -0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 57.71 3gvv h GLU 314 Cb 1.27 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.52 3gvv h GLU 314 CO 0.44 0.19 -0.67 1.49 -1.00 0.00 0.00 179.01 179.46 3gvv h GLU 315 N 0.04 0.76 -0.74 2.33 4.22 -2.00 -1.80 114.58 117.39 3gvv h GLU 315 Ca 0.01 -0.59 -0.04 0.00 0.08 0.00 0.00 59.36 58.82 3gvv h GLU 315 Cb 0.28 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3gvv h GLU 315 CO 0.02 1.20 0.31 0.93 -2.18 0.00 0.00 179.01 179.29 3gvv h GLU 316 N 0.48 1.08 0.29 1.92 5.08 -1.87 -3.06 114.58 118.51 3gvv h GLU 316 Ca -0.04 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3gvv h GLU 316 Cb 1.30 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3gvv h GLU 316 CO 0.14 0.86 -0.21 0.82 -1.00 0.00 0.00 179.01 179.63 3gvv h ILE 317 N 1.06 0.56 -0.88 3.13 2.04 -0.84 -2.33 117.51 120.25 3gvv h ILE 317 Ca 0.25 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.29 3gvv h ILE 317 Cb 0.17 0.56 -0.17 0.00 -0.74 0.00 0.00 36.82 36.65 3gvv h ILE 317 CO -0.02 0.00 -0.18 1.23 0.00 0.00 0.00 178.15 179.17 3gvv h GLY 318 N -0.50 0.70 0.57 5.37 0.00 -1.26 -1.01 103.07 106.95 3gvv h GLY 318 Ca -0.02 0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 3gvv h GLY 318 CO 0.01 -0.35 -0.02 1.46 0.00 0.00 0.00 176.54 177.64 3gvv h GLN 319 N 0.01 -0.06 -0.84 4.80 4.20 -1.37 0.43 115.11 122.29 3gvv h GLN 319 Ca 0.44 0.00 0.18 0.00 0.06 0.00 0.00 58.65 59.33 3gvv h GLN 319 Cb 0.70 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.39 3gvv h GLN 319 CO -0.89 0.36 0.36 -0.07 -0.67 0.00 0.00 178.83 177.92 3gvv h LEU 320 N -0.49 0.34 0.01 1.46 3.38 -1.22 0.18 115.31 118.97 3gvv h LEU 320 Ca -0.01 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3gvv h LEU 320 Cb 0.44 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3gvv h LEU 320 CO 0.01 0.08 -0.00 0.58 0.09 0.00 0.00 178.44 179.20 3gvv h VAL 321 N 0.46 1.05 -0.81 1.22 2.07 -0.93 -0.11 116.25 119.19 3gvv h VAL 321 Ca 0.49 -0.16 0.18 0.00 0.82 0.00 0.00 66.70 68.02 3gvv h VAL 321 Cb 0.82 1.16 -0.11 0.00 -1.52 0.00 0.00 31.29 31.63 3gvv h VAL 321 CO -0.45 0.04 0.29 0.50 0.02 0.00 0.00 177.57 177.97 3gvv h LYS 322 N -0.08 0.36 -0.13 1.57 3.64 0.47 -0.17 116.57 122.23 3gvv h LYS 322 Ca -0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3gvv h LYS 322 Cb 0.08 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3gvv h LYS 322 CO 0.00 0.24 0.03 0.37 -2.27 0.00 0.00 179.45 177.82 3gvv h GLN 323 N 0.37 0.20 -0.87 1.90 -0.00 -0.28 -2.27 115.11 114.17 3gvv h GLN 323 Ca 0.47 -0.05 0.10 0.00 -0.00 0.00 0.00 58.65 59.18 3gvv h GLN 323 Cb 0.81 -0.03 -0.08 0.00 0.00 0.00 0.00 27.48 28.19 3gvv h GLN 323 CO -0.49 0.37 0.50 1.98 0.00 0.00 0.00 178.83 181.19 3gvv h MET 324 N 0.01 0.80 -0.43 1.69 4.05 0.19 -2.42 114.93 118.81 3gvv h MET 324 Ca 0.04 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 3gvv h MET 324 Cb 0.25 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 3gvv h MET 324 CO 0.00 0.53 0.03 -0.07 0.23 0.00 0.00 176.91 177.63 3gvv h LEU 325 N 0.82 0.71 -1.19 3.39 4.07 -0.68 -1.63 115.31 120.79 3gvv h LEU 325 Ca 0.43 -0.29 0.09 0.00 0.08 0.00 0.00 57.88 58.19 3gvv h LEU 325 Cb 0.42 -0.19 -0.06 0.00 1.08 0.00 0.00 40.66 41.90 3gvv h LEU 325 CO -0.26 0.82 0.58 0.44 -1.08 0.00 0.00 178.44 178.94 3gvv h ASP 326 N 0.58 0.81 -0.22 -0.43 3.32 -1.06 0.16 116.42 119.58 3gvv h ASP 326 Ca 0.12 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.04 3gvv h ASP 326 Cb 0.44 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3gvv h ASP 326 CO 0.02 0.48 -0.46 0.44 -1.72 0.00 0.00 179.24 177.99 3gvv h ASP 327 N 0.90 0.79 1.24 6.45 5.19 -0.93 -3.29 116.42 126.77 3gvv h ASP 327 Ca 0.41 -0.55 -0.15 0.00 -0.62 0.00 0.00 57.03 56.12 3gvv h ASP 327 Cb 0.39 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.65 3gvv h ASP 327 CO -0.17 1.19 -0.78 -0.26 -3.12 0.00 0.00 179.24 176.10 3gvv h PHE 328 N 0.42 0.00 -1.45 4.55 -1.00 -0.90 -3.40 116.94 115.16 3gvv h PHE 328 Ca 0.01 0.00 0.16 0.00 2.81 0.00 0.00 57.97 60.94 3gvv h PHE 328 Cb 1.07 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.56 3gvv h PHE 328 CO 0.09 0.70 -0.41 0.41 -1.61 0.00 0.00 178.31 177.48 3gvv n GLY 329 N 1.29 -2.36 0.23 -1.45 0.00 0.53 -4.70 105.19 98.72 3gvv n GLY 329 Ca -0.00 -1.32 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 3gvv n GLY 329 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gvv h PRO 330 N -0.59 -0.22 -7.08 1.61 0.11 -1.94 -3.46 132.00 120.44 3gvv h PRO 330 Ca -0.05 0.01 -0.47 0.00 0.11 0.00 0.00 66.00 65.61 3gvv h PRO 330 Cb 0.58 0.05 0.05 0.00 0.11 0.00 0.00 31.00 31.79 3gvv h PRO 330 CO 0.02 -0.15 0.15 -1.01 -0.21 0.00 0.00 178.00 176.81 3gvv s HIS 331 N -4.32 3.23 -1.42 0.65 3.76 -1.26 -4.51 115.29 111.43 3gvv s HIS 331 Ca -0.07 0.59 -0.08 0.00 -0.15 0.00 0.00 55.06 55.35 3gvv s HIS 331 Cb 0.04 -2.71 0.04 0.00 1.11 0.00 0.00 32.58 31.06 3gvv s HIS 331 CO 0.30 -0.80 0.89 0.54 -0.85 0.00 0.00 174.74 174.83 3gvv n ARG 332 N -2.54 -5.56 -3.68 1.40 1.74 -1.26 -4.97 116.66 101.78 3gvv n ARG 332 Ca 0.04 0.64 -0.10 0.00 -0.77 0.00 0.00 57.85 57.66 3gvv n ARG 332 Cb 0.58 -5.42 -0.11 0.00 -1.02 0.00 0.00 32.46 26.49 3gvv n ARG 332 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3gvv s TYR 333 N -3.45 -0.64 -0.23 -1.55 5.04 -1.26 -1.16 117.35 114.10 3gvv s TYR 333 Ca 0.38 1.31 -0.03 0.00 -2.44 0.00 0.00 57.07 56.29 3gvv s TYR 333 Cb -0.19 0.24 0.01 0.00 0.35 0.00 0.00 41.96 42.38 3gvv s TYR 333 CO 0.81 -0.38 -0.06 0.42 -1.34 0.00 0.00 175.55 175.00 3gvv s ILE 334 N 1.87 3.06 0.50 3.14 1.01 0.18 -4.59 121.20 126.38 3gvv s ILE 334 Ca -0.06 -0.79 -0.20 0.00 0.00 0.00 0.00 60.65 59.59 3gvv s ILE 334 Cb -0.10 -2.47 -0.07 0.00 0.01 0.00 0.00 42.46 39.82 3gvv s ILE 334 CO -0.12 0.31 1.08 0.00 0.00 0.00 0.00 174.94 176.21 3gvv s ALA 335 N 1.39 2.83 -0.05 9.38 0.00 -0.85 -2.31 121.76 132.15 3gvv s ALA 335 Ca 0.03 0.72 -0.31 0.00 0.00 0.00 0.00 51.96 52.39 3gvv s ALA 335 Cb -0.15 -3.30 0.13 0.00 0.00 0.00 0.00 23.12 19.79 3gvv s ALA 335 CO -0.04 -0.49 1.31 1.21 0.00 0.00 0.00 175.76 177.74 3gvv s ASN 336 N -1.83 -0.05 0.99 0.00 3.84 -0.89 -3.21 114.94 113.79 3gvv s ASN 336 Ca 0.68 -0.10 -0.17 0.00 0.21 0.00 0.00 52.86 53.49 3gvv s ASN 336 Cb -0.20 0.13 0.22 0.00 -0.55 0.00 0.00 41.25 40.84 3gvv s ASN 336 CO 0.24 -0.23 1.33 -0.76 -2.79 0.00 0.00 177.10 174.88 3gvv s LEU 337 N -2.88 2.62 0.22 3.21 1.43 -1.26 -1.15 118.68 120.87 3gvv s LEU 337 Ca 0.14 0.24 0.23 0.00 -1.03 0.00 0.00 54.13 53.71 3gvv s LEU 337 Cb 0.05 -2.22 0.11 0.00 0.03 0.00 0.00 46.19 44.15 3gvv s LEU 337 CO -0.04 -2.89 1.17 1.23 0.23 0.00 0.00 176.35 176.05 3gvv h GLY 338 N -1.75 0.00 -1.29 -3.19 0.00 0.12 -3.39 103.07 93.57 3gvv h GLY 338 Ca -0.44 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.76 3gvv h GLY 338 CO 0.35 0.00 0.10 -1.58 0.00 0.00 0.00 176.54 175.41 3gvv s HIS 339 N -3.31 0.51 0.71 5.60 5.65 -1.26 -4.25 115.29 118.94 3gvv s HIS 339 Ca 0.02 -1.02 -0.14 0.00 0.25 0.00 0.00 55.06 54.17 3gvv s HIS 339 Cb 0.10 0.48 0.02 0.00 -1.18 0.00 0.00 32.58 32.00 3gvv s HIS 339 CO 0.76 -1.42 1.12 0.20 -0.65 0.00 0.00 174.74 174.75 3gvv s GLY 340 N -3.15 2.05 0.71 1.59 0.00 -1.26 -4.60 107.32 102.65 3gvv s GLY 340 Ca 0.22 0.53 -0.16 0.00 0.00 0.00 0.00 44.72 45.30 3gvv s GLY 340 CO 0.15 0.89 0.49 1.04 0.00 0.00 0.00 173.10 175.67 3gvv n LEU 341 N -2.79 0.61 -4.92 0.66 4.77 -0.89 -4.91 117.00 109.53 3gvv n LEU 341 Ca 0.10 0.60 -0.28 0.00 -0.03 0.00 0.00 56.01 56.40 3gvv n LEU 341 Cb 0.52 -1.20 -0.04 0.00 -2.33 0.00 0.00 43.42 40.38 3gvv n LEU 341 CO 0.49 -3.19 -0.13 -0.31 -1.33 0.00 0.00 177.39 172.91 3gvv s TYR 342 N -1.90 3.47 -1.31 -1.77 4.12 -1.26 -4.94 117.35 113.76 3gvv s TYR 342 Ca 0.65 0.17 0.17 0.00 0.02 0.00 0.00 57.07 58.07 3gvv s TYR 342 Cb -0.36 -1.70 0.80 0.00 -1.52 0.00 0.00 41.96 39.19 3gvv s TYR 342 CO 0.58 0.55 1.50 -2.30 0.02 0.00 0.00 175.55 175.90 3gvv n PRO 343 N -0.14 0.17 -0.30 -1.71 -0.02 -1.26 -2.34 135.00 129.41 3gvv n PRO 343 Ca -0.06 0.15 0.07 0.00 -2.02 0.00 0.00 63.50 61.64 3gvv n PRO 343 Cb 0.53 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.71 3gvv n PRO 343 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3gvv n ASP 344 N -1.34 3.38 -4.80 2.55 5.75 -1.26 -3.62 116.55 117.20 3gvv n ASP 344 Ca 0.07 -2.42 -0.34 0.00 -0.01 0.00 0.00 54.79 52.09 3gvv n ASP 344 Cb 0.15 -0.37 -0.04 0.00 -1.03 0.00 0.00 41.12 39.83 3gvv n ASP 344 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3gvv s MET 345 N -1.75 3.88 -0.19 0.11 -1.94 -0.99 -5.00 119.30 113.41 3gvv s MET 345 Ca 0.32 1.28 -0.24 0.00 -1.71 0.00 0.00 55.69 55.34 3gvv s MET 345 Cb 0.22 -2.11 -0.02 0.00 2.01 0.00 0.00 34.83 34.93 3gvv s MET 345 CO 0.13 -0.35 0.76 0.34 -0.01 0.00 0.00 175.02 175.89 3gvv s ASP 346 N -2.12 6.85 0.57 3.03 -1.08 -1.26 -4.79 116.67 117.86 3gvv s ASP 346 Ca 0.65 1.04 0.27 0.00 -0.52 0.00 0.00 52.55 54.00 3gvv s ASP 346 Cb -0.14 -2.42 1.50 0.00 -1.46 0.00 0.00 42.92 40.40 3gvv s ASP 346 CO 0.20 -0.37 2.00 1.55 0.52 0.00 0.00 175.17 179.06 3gvv h PRO 347 N 7.43 0.00 0.00 4.34 0.13 -1.95 -0.63 132.00 141.32 3gvv h PRO 347 Ca -0.29 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.75 3gvv h PRO 347 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3gvv h PRO 347 CO 0.82 0.00 -0.43 0.93 -0.23 0.00 0.00 178.00 179.09 3gvv h GLU 348 N 0.00 0.00 0.00 0.86 4.39 -1.98 -1.91 114.58 115.94 3gvv h GLU 348 Ca 0.19 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.77 3gvv h GLU 348 Cb 0.89 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 3gvv h GLU 348 CO -0.00 0.43 -0.58 0.45 -1.16 0.00 0.00 179.01 178.14 3gvv h HIS 349 N 0.00 0.00 -0.39 4.33 3.86 -1.46 -2.16 115.15 119.34 3gvv h HIS 349 Ca -0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 3gvv h HIS 349 Cb 0.85 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.31 3gvv h HIS 349 CO 0.00 0.58 -0.19 0.28 0.86 0.00 0.00 177.93 179.46 3gvv h VAL 350 N 0.00 1.27 -0.29 2.45 2.07 -1.20 -1.34 116.25 119.20 3gvv h VAL 350 Ca -0.01 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.25 3gvv h VAL 350 Cb 1.43 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 3gvv h VAL 350 CO 0.08 0.43 0.16 1.23 0.02 0.00 0.00 177.57 179.49 3gvv h GLY 351 N 0.97 0.40 0.59 2.17 0.00 -1.14 0.08 103.07 106.14 3gvv h GLY 351 Ca 0.10 -0.12 0.07 0.00 0.00 0.00 0.00 47.33 47.38 3gvv h GLY 351 CO 0.05 0.11 0.34 0.00 0.00 0.00 0.00 176.54 177.03 3gvv h ALA 352 N 1.13 0.88 0.25 3.60 0.00 -1.23 0.87 119.26 124.76 3gvv h ALA 352 Ca 0.12 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3gvv h ALA 352 Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3gvv h ALA 352 CO -0.06 -0.02 -0.12 0.35 0.00 0.00 0.00 179.25 179.40 3gvv h PHE 353 N 0.61 -0.31 -0.22 0.00 3.57 -0.65 -1.30 116.94 118.64 3gvv h PHE 353 Ca 0.31 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.82 3gvv h PHE 353 Cb 0.25 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3gvv h PHE 353 CO -0.10 -0.15 0.08 0.28 -2.23 0.00 0.00 178.31 176.19 3gvv h VAL 354 N -0.39 0.95 -0.96 1.41 2.07 -0.43 -2.50 116.25 116.39 3gvv h VAL 354 Ca -0.03 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.46 3gvv h VAL 354 Cb 0.30 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 3gvv h VAL 354 CO 0.06 0.03 0.63 0.44 0.02 0.00 0.00 177.57 178.75 3gvv h ASP 355 N 0.19 1.04 -0.44 0.57 5.19 -0.79 -2.78 116.42 119.39 3gvv h ASP 355 Ca 0.10 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.42 3gvv h ASP 355 Cb 0.06 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.32 3gvv h ASP 355 CO -0.10 0.71 -0.03 0.00 -3.12 0.00 0.00 179.24 176.70 3gvv h ALA 356 N 1.44 0.60 0.38 3.45 0.00 -0.81 0.52 119.26 124.84 3gvv h ALA 356 Ca 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3gvv h ALA 356 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3gvv h ALA 356 CO -0.12 0.42 -0.38 0.28 0.00 0.00 0.00 179.25 179.45 3gvv h VAL 357 N 0.64 0.00 0.00 0.00 2.07 -1.25 0.11 116.25 117.82 3gvv h VAL 357 Ca 0.12 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.67 3gvv h VAL 357 Cb 0.54 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 3gvv h VAL 357 CO 0.03 0.00 -0.50 0.45 0.02 0.00 0.00 177.57 177.56 3gvv h HIS 358 N -0.75 -1.47 -0.64 1.57 -0.00 -1.25 0.25 115.15 112.86 3gvv h HIS 358 Ca -0.05 0.05 0.12 0.00 -0.00 0.00 0.00 60.37 60.49 3gvv h HIS 358 Cb 0.65 0.64 -0.09 0.00 -0.00 0.00 0.00 27.41 28.61 3gvv h HIS 358 CO -0.21 -0.56 0.16 -0.22 -0.00 0.00 0.00 177.93 177.11 3gvv h LYS 359 N -0.65 0.28 0.00 2.45 3.11 0.14 -2.68 116.57 119.21 3gvv h LYS 359 Ca 0.02 -0.02 -0.21 0.00 -2.81 0.00 0.00 60.65 57.64 3gvv h LYS 359 Cb 0.71 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.84 3gvv h LYS 359 CO -0.35 0.19 -1.09 0.45 -2.81 0.00 0.00 179.45 175.84 3gvv h HIS 360 N 0.29 0.00 0.00 1.91 3.86 -0.35 -2.54 115.15 118.32 3gvv h HIS 360 Ca 0.34 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.45 3gvv h HIS 360 Cb 0.52 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 3gvv h HIS 360 CO -0.24 0.92 -0.48 0.66 0.86 0.00 0.00 177.93 179.66 3gvv h SER 361 N 0.00 0.00 0.26 2.45 4.64 -0.31 0.88 113.55 121.47 3gvv h SER 361 Ca -0.07 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 3gvv h SER 361 Cb 1.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.85 3gvv h SER 361 CO 0.11 0.48 -0.12 0.03 -0.87 0.00 0.00 176.83 176.45 3gvv h ARG 362 N 0.00 -0.34 -1.53 4.77 3.08 -1.54 -2.90 114.38 115.93 3gvv h ARG 362 Ca -0.00 0.02 0.47 0.00 0.07 0.00 0.00 59.98 60.54 3gvv h ARG 362 Cb 0.87 0.08 -0.10 0.00 0.08 0.00 0.00 29.97 30.89 3gvv h ARG 362 CO 0.06 -0.22 1.05 1.25 -1.07 0.00 0.00 179.97 181.04 3gvv h LEU 363 N -1.02 0.13 -0.11 3.04 5.85 -1.51 0.90 115.31 122.60 3gvv h LEU 363 Ca -0.04 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3gvv h LEU 363 Cb 0.27 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 3gvv h LEU 363 CO 0.06 -0.10 -0.02 0.25 -0.34 0.00 0.00 178.44 178.29 3gvv h LEU 364 N 0.05 0.21 0.01 2.25 6.46 -0.80 -3.39 115.31 120.10 3gvv h LEU 364 Ca 0.83 -0.36 -0.00 0.00 -0.12 0.00 0.00 57.88 58.23 3gvv h LEU 364 Cb 2.96 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 42.83 3gvv h LEU 364 CO -0.23 0.52 -0.01 0.03 -0.62 0.00 0.00 178.44 178.13 3gvv h ARG 365 N -0.11 -0.01 0.00 1.25 3.08 -0.66 -3.51 114.38 114.42 3gvv h ARG 365 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3gvv h ARG 365 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3gvv h ARG 365 CO 0.01 -0.01 0.00 1.04 -1.07 0.00 0.00 179.97 179.94