#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a29 s VAL 10 N 0.00 2.15 0.00 2.53 0.11 -1.26 -5.03 120.40 118.91 3a29 s VAL 10 Ca 0.00 0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.17 3a29 s VAL 10 Cb 0.00 -3.06 -0.00 0.00 -1.53 0.00 0.00 36.38 31.79 3a29 s VAL 10 CO 0.00 -0.00 -0.03 0.21 -3.33 0.00 0.00 175.10 171.95 3a29 s ASN 11 N -1.00 0.32 0.34 3.54 3.84 -1.26 -5.09 114.94 115.63 3a29 s ASN 11 Ca 0.71 -0.10 0.09 0.00 0.21 0.00 0.00 52.86 53.77 3a29 s ASN 11 Cb -0.39 -0.02 -0.06 0.00 -0.55 0.00 0.00 41.25 40.23 3a29 s ASN 11 CO 0.46 -0.00 -0.05 0.42 -2.79 0.00 0.00 177.10 175.15 3a29 s THR 12 N -0.22 2.43 0.17 -5.21 -4.23 -1.26 -1.51 115.64 105.81 3a29 s THR 12 Ca -0.01 -2.10 -0.14 0.00 -1.18 0.00 0.00 61.69 58.27 3a29 s THR 12 Cb -0.02 -2.72 0.06 0.00 1.34 0.00 0.00 72.50 71.17 3a29 s THR 12 CO -0.00 -0.20 1.78 0.25 -0.54 0.00 0.00 174.62 175.90 3a29 h LEU 13 N 1.92 0.30 -0.14 4.79 5.85 -1.07 -0.64 115.31 126.32 3a29 h LEU 13 Ca -0.42 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.35 3a29 h LEU 13 Cb 1.25 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 3a29 h LEU 13 CO 0.69 0.21 -0.01 0.74 -0.34 0.00 0.00 178.44 179.73 3a29 h THR 14 N 0.44 0.88 -0.43 1.05 2.02 -1.96 0.53 112.91 115.44 3a29 h THR 14 Ca 0.21 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.35 3a29 h THR 14 Cb 0.13 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 3a29 h THR 14 CO -0.16 0.01 0.16 -0.09 0.37 0.00 0.00 175.52 175.81 3a29 h ARG 15 N 0.03 0.64 -0.10 6.66 2.43 -1.90 -1.38 114.38 120.76 3a29 h ARG 15 Ca 0.07 -0.12 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3a29 h ARG 15 Cb 0.09 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3a29 h ARG 15 CO -0.13 0.60 -0.02 0.35 -1.51 0.00 0.00 179.97 179.26 3a29 h PHE 16 N 0.54 -0.04 -0.47 2.20 3.57 -0.87 -1.44 116.94 120.43 3a29 h PHE 16 Ca 0.14 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3a29 h PHE 16 Cb 0.20 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 3a29 h PHE 16 CO 0.00 -0.04 0.24 0.28 -2.23 0.00 0.00 178.31 176.56 3a29 h VAL 17 N 0.00 1.18 -0.89 1.41 2.07 -0.78 -1.86 116.25 117.38 3a29 h VAL 17 Ca 0.05 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 3a29 h VAL 17 Cb 0.07 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3a29 h VAL 17 CO -0.10 0.20 0.48 -0.03 0.02 0.00 0.00 177.57 178.15 3a29 h MET 18 N 0.62 1.24 -0.22 1.57 1.85 -1.11 -0.45 114.93 118.44 3a29 h MET 18 Ca 0.16 -0.15 -0.03 0.00 -0.61 0.00 0.00 59.70 59.07 3a29 h MET 18 Cb 0.10 -0.24 -0.01 0.00 0.43 0.00 0.00 31.60 31.88 3a29 h MET 18 CO -0.02 0.91 0.01 1.49 -0.40 0.00 0.00 176.91 178.90 3a29 h GLU 19 N 1.24 0.38 -0.60 0.39 4.57 -1.01 0.62 114.58 120.17 3a29 h GLU 19 Ca 0.31 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.33 3a29 h GLU 19 Cb 0.03 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 3a29 h GLU 19 CO -0.05 0.55 0.18 0.93 -1.18 0.00 0.00 179.01 179.44 3a29 h GLU 20 N 0.16 0.91 -0.56 1.92 4.39 -1.14 -1.34 114.58 118.92 3a29 h GLU 20 Ca 0.06 -0.18 -0.07 0.00 0.34 0.00 0.00 59.36 59.52 3a29 h GLU 20 Cb 0.37 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 3a29 h GLU 20 CO 0.01 0.80 0.09 0.78 -1.16 0.00 0.00 179.01 179.52 3a29 h GLY 21 N 1.01 1.01 1.18 -3.84 0.00 -0.88 -1.75 103.07 99.79 3a29 h GLY 21 Ca 0.20 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 3a29 h GLY 21 CO -0.01 0.63 0.48 3.21 0.00 0.00 0.00 176.54 180.85 3a29 h ARG 22 N 0.83 1.09 -0.46 4.80 3.08 -0.30 -2.55 114.38 120.87 3a29 h ARG 22 Ca 0.17 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 3a29 h ARG 22 Cb 0.42 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3a29 h ARG 22 CO 0.01 0.76 0.04 0.87 -1.07 0.00 0.00 179.97 180.59 3a29 h LYS 23 N 1.11 0.78 -0.06 0.04 1.57 -0.90 -2.81 116.57 116.31 3a29 h LYS 23 Ca 0.29 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3a29 h LYS 23 Cb -0.04 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 3a29 h LYS 23 CO -0.05 0.82 0.09 0.00 -0.57 0.00 0.00 179.45 179.73 3a29 h ALA 24 N 0.93 1.50 -6.00 3.86 0.00 -0.91 -3.46 119.26 115.18 3a29 h ALA 24 Ca 0.13 -0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.64 3a29 h ALA 24 Cb 0.44 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.31 3a29 h ALA 24 CO 0.02 -0.12 -0.81 0.54 0.00 0.00 0.00 179.25 178.87 3a29 n ARG 25 N -3.61 -5.31 0.00 0.00 1.74 -1.06 -5.00 116.66 103.42 3a29 n ARG 25 Ca -0.01 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 3a29 n ARG 25 Cb 0.18 -5.33 0.00 0.00 -1.02 0.00 0.00 32.46 26.29 3a29 n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a29 n GLY 26 N -1.49 4.00 0.20 -0.13 0.00 -1.26 -5.03 105.19 101.49 3a29 n GLY 26 Ca -0.29 -1.85 0.12 0.00 0.00 0.00 0.00 46.02 44.00 3a29 n GLY 26 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3a29 h THR 27 N 0.00 0.00 0.00 2.61 1.35 -1.94 -3.47 112.91 111.46 3a29 h THR 27 Ca 0.00 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 3a29 h THR 27 Cb 0.00 1.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3a29 h THR 27 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3a29 n GLY 28 N 1.12 0.79 0.08 5.82 0.00 -1.26 -4.98 105.19 106.75 3a29 n GLY 28 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3a29 n GLY 28 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a29 h GLU 29 N 3.32 -0.10 -0.45 1.61 4.81 -1.98 -2.68 114.58 119.11 3a29 h GLU 29 Ca 0.00 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3a29 h GLU 29 Cb 0.00 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 3a29 h GLU 29 CO 0.00 0.09 0.30 1.25 -0.73 0.00 0.00 179.01 179.93 3a29 h LEU 30 N -0.29 0.35 -0.40 1.64 5.85 -1.93 -0.37 115.31 120.16 3a29 h LEU 30 Ca -0.01 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3a29 h LEU 30 Cb 0.25 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3a29 h LEU 30 CO 0.02 0.23 0.23 0.74 -0.34 0.00 0.00 178.44 179.32 3a29 h THR 31 N 0.40 1.14 -0.62 1.05 2.02 -1.85 0.10 112.91 115.15 3a29 h THR 31 Ca 0.19 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.98 3a29 h THR 31 Cb 0.27 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 3a29 h THR 31 CO -0.05 0.14 0.12 1.56 0.37 0.00 0.00 175.52 177.66 3a29 h GLN 32 N 0.52 0.99 0.14 6.66 1.08 -0.81 -0.09 115.11 123.60 3a29 h GLN 32 Ca 0.14 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 3a29 h GLN 32 Cb 0.02 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 3a29 h GLN 32 CO -0.03 0.90 -0.07 1.25 -0.95 0.00 0.00 178.83 179.94 3a29 h LEU 33 N 0.94 -0.15 -0.86 1.46 6.46 -0.63 -1.07 115.31 121.46 3a29 h LEU 33 Ca 0.19 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 3a29 h LEU 33 Cb 0.38 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.31 3a29 h LEU 33 CO 0.01 0.03 0.49 -0.07 -0.62 0.00 0.00 178.44 178.28 3a29 h LEU 34 N -0.33 1.05 -0.21 2.25 3.38 -0.63 -0.71 115.31 120.11 3a29 h LEU 34 Ca -0.02 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3a29 h LEU 34 Cb 0.26 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3a29 h LEU 34 CO 0.03 0.83 0.09 0.78 0.09 0.00 0.00 178.44 180.26 3a29 h ASN 35 N 1.19 0.12 -0.88 -0.43 -0.26 -0.86 0.77 115.58 115.23 3a29 h ASN 35 Ca 0.30 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 56.05 3a29 h ASN 35 Cb -0.01 -0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 37.20 3a29 h ASN 35 CO -0.05 0.10 0.50 0.28 -1.06 0.00 0.00 177.43 177.20 3a29 h SER 36 N 0.20 1.09 -0.48 5.81 0.02 -0.79 -1.65 113.55 117.76 3a29 h SER 36 Ca 0.09 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3a29 h SER 36 Cb 0.04 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 3a29 h SER 36 CO -0.08 0.87 0.12 0.25 -1.14 0.00 0.00 176.83 176.85 3a29 h LEU 37 N 1.23 0.72 -0.51 5.07 5.85 -0.61 -1.30 115.31 125.76 3a29 h LEU 37 Ca 0.31 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3a29 h LEU 37 Cb 0.01 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 3a29 h LEU 37 CO -0.05 0.77 0.26 0.00 -0.34 0.00 0.00 178.44 179.07 3a29 h THR 39 N 0.50 1.15 -0.77 0.00 2.02 -1.05 -1.89 112.91 112.87 3a29 h THR 39 Ca 0.23 -0.40 0.01 0.00 0.77 0.00 0.00 66.41 67.01 3a29 h THR 39 Cb 0.13 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 3a29 h THR 39 CO -0.16 0.16 0.51 0.00 0.37 0.00 0.00 175.52 176.40 3a29 h ALA 40 N 1.06 0.98 -0.97 6.16 0.00 -0.60 -1.78 119.26 124.11 3a29 h ALA 40 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3a29 h ALA 40 Cb 0.07 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 3a29 h ALA 40 CO -0.02 0.40 0.60 0.28 0.00 0.00 0.00 179.25 180.51 3a29 h VAL 41 N 1.05 1.26 -0.38 0.00 2.07 -0.49 0.64 116.25 120.40 3a29 h VAL 41 Ca 0.28 -0.53 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 3a29 h VAL 41 Cb -0.12 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 29.51 3a29 h VAL 41 CO -0.06 0.26 -0.18 0.11 0.02 0.00 0.00 177.57 177.72 3a29 h LYS 42 N 1.32 0.71 -0.53 1.57 1.57 -0.88 -0.27 116.57 120.07 3a29 h LYS 42 Ca 0.35 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 3a29 h LYS 42 Cb -0.09 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3a29 h LYS 42 CO -0.07 0.85 -0.13 0.00 -0.57 0.00 0.00 179.45 179.53 3a29 h ALA 43 N 1.16 0.72 -0.33 3.86 0.00 -0.56 -0.83 119.26 123.30 3a29 h ALA 43 Ca 0.10 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3a29 h ALA 43 Cb 0.66 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3a29 h ALA 43 CO 0.05 0.66 0.13 0.82 0.00 0.00 0.00 179.25 180.90 3a29 h ILE 44 N 0.89 1.19 -0.20 0.00 2.04 -0.65 -2.26 117.51 118.51 3a29 h ILE 44 Ca 0.13 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.47 3a29 h ILE 44 Cb 0.71 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 3a29 h ILE 44 CO 0.05 0.20 -0.10 -1.28 0.00 0.00 0.00 178.15 177.02 3a29 h SER 45 N 0.38 -0.35 -0.54 1.72 0.87 -0.80 0.23 113.55 115.06 3a29 h SER 45 Ca 0.11 0.08 0.10 0.00 -1.23 0.00 0.00 61.79 60.85 3a29 h SER 45 Cb 0.19 0.19 -0.08 0.00 -0.44 0.00 0.00 62.40 62.26 3a29 h SER 45 CO -0.01 -0.14 0.11 -1.28 -0.53 0.00 0.00 176.83 174.99 3a29 h SER 46 N -0.09 0.01 -0.48 6.23 0.87 -0.97 -0.76 113.55 118.37 3a29 h SER 46 Ca 0.11 0.10 -0.11 0.00 -1.23 0.00 0.00 61.79 60.65 3a29 h SER 46 Cb 0.25 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 3a29 h SER 46 CO -0.26 0.03 -0.15 0.00 -0.53 0.00 0.00 176.83 175.92 3a29 h ALA 47 N 1.42 0.66 -0.73 6.23 0.00 -0.77 -2.69 119.26 123.39 3a29 h ALA 47 Ca 0.28 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3a29 h ALA 47 Cb 0.39 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3a29 h ALA 47 CO -0.36 0.60 0.37 0.28 0.00 0.00 0.00 179.25 180.13 3a29 h VAL 48 N 0.79 1.23 0.00 0.00 2.07 0.14 -0.60 116.25 119.88 3a29 h VAL 48 Ca 0.12 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3a29 h VAL 48 Cb 0.71 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3a29 h VAL 48 CO 0.05 0.26 0.00 0.54 0.02 0.00 0.00 177.57 178.45 3a29 n ARG 49 N -4.34 0.82 -2.78 1.57 3.00 -0.36 -4.88 116.66 109.69 3a29 n ARG 49 Ca 0.07 0.00 -0.13 0.00 -0.01 0.00 0.00 57.85 57.78 3a29 n ARG 49 Cb 0.12 -1.20 0.03 0.00 0.00 0.00 0.00 32.46 31.41 3a29 n ARG 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3a29 n LYS 50 N -0.70 -3.20 -1.92 5.56 4.76 -0.23 -4.98 118.16 117.45 3a29 n LYS 50 Ca 0.08 0.52 -0.42 0.00 -2.87 0.00 0.00 58.31 55.62 3a29 n LYS 50 Cb 0.04 -4.57 -0.03 0.00 -1.84 0.00 0.00 35.03 28.63 3a29 n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3a29 s ALA 51 N -2.96 3.74 0.00 7.82 0.00 -1.02 -2.08 121.76 127.26 3a29 s ALA 51 Ca 0.21 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.57 3a29 s ALA 51 Cb -0.09 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3a29 s ALA 51 CO 0.26 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.62 3a29 n GLY 52 N 3.10 0.69 0.31 0.00 0.00 -1.26 -4.87 105.19 103.16 3a29 n GLY 52 Ca 0.11 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.28 3a29 n GLY 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3a29 h ILE 53 N 0.00 0.60 -0.80 -0.61 2.10 -1.82 -1.52 117.51 115.46 3a29 h ILE 53 Ca 0.00 0.00 0.06 0.00 1.08 0.00 0.00 64.86 66.00 3a29 h ILE 53 Cb 0.03 0.93 -0.05 0.00 -1.09 0.00 0.00 36.82 36.63 3a29 h ILE 53 CO 0.00 0.00 0.52 0.00 -1.08 0.00 0.00 178.15 177.59 3a29 h ALA 54 N 1.90 1.62 -0.30 0.18 0.00 -1.90 -0.20 119.26 120.56 3a29 h ALA 54 Ca 0.04 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3a29 h ALA 54 Cb 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3a29 h ALA 54 CO -0.00 0.26 -0.15 0.45 0.00 0.00 0.00 179.25 179.81 3a29 h HIS 55 N 0.87 0.57 0.00 0.00 3.86 -1.67 -1.58 115.15 117.19 3a29 h HIS 55 Ca 0.34 -0.10 -0.06 0.00 -1.16 0.00 0.00 60.37 59.40 3a29 h HIS 55 Cb 0.23 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 3a29 h HIS 55 CO -0.00 0.65 -0.29 1.25 0.86 0.00 0.00 177.93 180.40 3a29 h LEU 56 N 0.48 0.00 -3.14 2.43 5.85 -1.10 -2.66 115.31 117.16 3a29 h LEU 56 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3a29 h LEU 56 Cb 0.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3a29 h LEU 56 CO 0.03 0.29 0.00 -1.22 -0.34 0.00 0.00 178.44 177.21 3a29 n TYR 57 N -3.78 1.73 -1.59 1.25 4.02 -0.86 -4.95 117.16 112.97 3a29 n TYR 57 Ca -0.01 -0.61 -0.00 0.00 -0.01 0.00 0.00 57.90 57.26 3a29 n TYR 57 Cb 0.39 -0.42 -0.00 0.00 -0.02 0.00 0.00 39.34 39.28 3a29 n TYR 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3a29 n GLY 58 N 0.62 0.38 0.31 2.72 0.00 -1.00 -4.96 105.19 103.26 3a29 n GLY 58 Ca 0.24 -0.96 0.07 0.00 0.00 0.00 0.00 46.02 45.37 3a29 n GLY 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3a29 h ILE 59 N 0.00 1.03 -0.51 -0.61 2.10 -1.50 -0.97 117.51 117.06 3a29 h ILE 59 Ca -0.01 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.79 3a29 h ILE 59 Cb 0.60 0.60 0.00 0.00 -1.09 0.00 0.00 36.82 36.93 3a29 h ILE 59 CO 0.01 0.07 0.00 0.00 -1.08 0.00 0.00 178.15 177.15 3a29 n ALA 60 N -2.50 3.31 -0.20 0.18 0.00 -1.26 -5.07 120.51 114.97 3a29 n ALA 60 Ca 0.03 -1.87 0.00 0.00 0.00 0.00 0.00 53.44 51.60 3a29 n ALA 60 Cb 0.14 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3a29 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a29 n GLY 61 N 0.50 0.63 0.00 0.00 0.00 -0.37 -5.20 105.19 100.75 3a29 n GLY 61 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3a29 n GLY 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3a29 n VAL 70 N -2.00 0.00 -1.78 1.61 0.31 -1.26 -4.75 118.33 110.45 3a29 n VAL 70 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 3a29 n VAL 70 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 3a29 n VAL 70 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3a29 s LYS 71 N 0.00 3.32 0.60 5.55 -2.85 -1.26 -5.00 119.74 120.10 3a29 s LYS 71 Ca 0.00 0.87 -0.19 0.00 -1.00 0.00 0.00 55.97 55.65 3a29 s LYS 71 Cb 0.00 -2.04 -0.03 0.00 -2.06 0.00 0.00 37.83 33.70 3a29 s LYS 71 CO 0.00 -0.79 1.26 0.21 0.10 0.00 0.00 175.35 176.13 3a29 s LYS 72 N -4.99 2.90 0.34 1.78 2.47 -1.26 -4.81 119.74 116.17 3a29 s LYS 72 Ca 0.57 1.97 0.01 0.00 -1.56 0.00 0.00 55.97 56.97 3a29 s LYS 72 Cb -0.12 -1.98 0.60 0.00 -1.46 0.00 0.00 37.83 34.86 3a29 s LYS 72 CO 0.52 -1.30 1.99 1.25 0.16 0.00 0.00 175.35 177.97 3a29 h LEU 73 N 0.93 0.76 -0.50 5.43 5.85 -1.99 -0.56 115.31 125.23 3a29 h LEU 73 Ca -0.51 -0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.03 3a29 h LEU 73 Cb 1.31 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 3a29 h LEU 73 CO 0.55 0.56 -0.50 -2.24 -0.34 0.00 0.00 178.44 176.47 3a29 h ASP 74 N 0.89 0.71 -0.12 1.25 -0.00 -1.93 -0.13 116.42 117.09 3a29 h ASP 74 Ca 0.24 -0.36 -0.01 0.00 -0.00 0.00 0.00 57.03 56.90 3a29 h ASP 74 Cb -0.08 -0.20 -0.01 0.00 -0.00 0.00 0.00 39.33 39.04 3a29 h ASP 74 CO -0.05 1.09 0.03 0.58 -0.00 0.00 0.00 179.24 180.89 3a29 h VAL 75 N 0.51 1.19 -0.51 4.15 2.07 -1.82 -1.46 116.25 120.38 3a29 h VAL 75 Ca 0.02 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 3a29 h VAL 75 Cb 1.05 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 3a29 h VAL 75 CO 0.10 0.17 0.28 0.25 0.02 0.00 0.00 177.57 178.39 3a29 h LEU 76 N 0.01 0.65 -0.67 2.57 5.85 -1.05 -0.81 115.31 121.85 3a29 h LEU 76 Ca 0.04 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3a29 h LEU 76 Cb 0.24 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 3a29 h LEU 76 CO -0.00 0.56 0.40 0.28 -0.34 0.00 0.00 178.44 179.34 3a29 h SER 77 N 0.68 0.65 -0.57 1.25 0.02 -0.89 -0.33 113.55 114.37 3a29 h SER 77 Ca 0.18 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 3a29 h SER 77 Cb 0.06 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3a29 h SER 77 CO -0.03 0.44 0.18 -1.13 -1.14 0.00 0.00 176.83 175.15 3a29 h ASN 78 N 0.78 0.82 -0.53 3.07 -0.73 -0.92 -1.93 115.58 116.15 3a29 h ASN 78 Ca 0.28 -0.21 -0.03 0.00 1.87 0.00 0.00 56.30 58.22 3a29 h ASN 78 Cb 0.07 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.42 3a29 h ASN 78 CO -0.13 0.81 0.23 0.44 -0.37 0.00 0.00 177.43 178.42 3a29 h ASP 79 N 0.79 0.71 0.42 1.15 3.32 -0.53 0.30 116.42 122.58 3a29 h ASP 79 Ca 0.18 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3a29 h ASP 79 Cb 0.28 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3a29 h ASP 79 CO -0.01 0.66 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.86 3a29 h LEU 80 N 0.71 -0.63 0.04 1.55 3.38 -0.84 0.15 115.31 119.67 3a29 h LEU 80 Ca 0.18 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.19 3a29 h LEU 80 Cb 0.16 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3a29 h LEU 80 CO -0.02 -0.40 -0.06 0.58 0.09 0.00 0.00 178.44 178.63 3a29 h VAL 81 N -0.64 0.85 -0.25 1.22 2.07 -1.28 -0.17 116.25 118.06 3a29 h VAL 81 Ca -0.05 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.53 3a29 h VAL 81 Cb 0.52 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 3a29 h VAL 81 CO 0.05 0.00 -0.22 0.24 0.02 0.00 0.00 177.57 177.67 3a29 h MET 82 N -0.13 -0.21 -0.48 1.57 2.86 -0.83 -0.28 114.93 117.43 3a29 h MET 82 Ca 0.01 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3a29 h MET 82 Cb 0.13 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 3a29 h MET 82 CO -0.04 -0.14 0.09 -0.97 1.06 0.00 0.00 176.91 176.91 3a29 h ASN 83 N -0.22 0.76 -0.49 1.22 -1.24 -0.55 -1.58 115.58 113.48 3a29 h ASN 83 Ca 0.14 -0.25 -0.08 0.00 0.71 0.00 0.00 56.30 56.82 3a29 h ASN 83 Cb 0.43 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.26 3a29 h ASN 83 CO -0.37 0.82 -0.00 0.24 -1.29 0.00 0.00 177.43 176.82 3a29 h MET 84 N 0.67 0.87 -0.05 6.67 2.86 -0.76 -1.80 114.93 123.39 3a29 h MET 84 Ca 0.15 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 3a29 h MET 84 Cb 0.38 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 3a29 h MET 84 CO 0.01 0.91 0.00 -0.07 1.06 0.00 0.00 176.91 178.82 3a29 h LEU 85 N 0.73 0.08 -0.31 1.22 3.38 -1.03 -2.48 115.31 116.92 3a29 h LEU 85 Ca 0.14 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.86 3a29 h LEU 85 Cb 0.52 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 3a29 h LEU 85 CO 0.03 0.37 -0.07 0.11 0.09 0.00 0.00 178.44 178.97 3a29 h LYS 86 N -0.21 0.01 0.00 1.13 1.57 -1.27 -1.05 116.57 116.75 3a29 h LYS 86 Ca 0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3a29 h LYS 86 Cb 0.33 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3a29 h LYS 86 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.76 3a29 n SER 87 N -5.25 0.00 0.17 0.86 3.41 -0.68 -2.34 113.62 109.79 3a29 n SER 87 Ca 0.00 -0.58 0.12 0.00 -0.26 0.00 0.00 58.87 58.15 3a29 n SER 87 Cb 0.17 -0.01 0.20 0.00 -0.26 0.00 0.00 64.21 64.31 3a29 n SER 87 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3a29 h SER 88 N 0.00 0.00 -0.49 4.04 4.64 -0.70 -3.47 113.55 117.57 3a29 h SER 88 Ca 0.00 -0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.09 3a29 h SER 88 Cb 0.01 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.02 3a29 h SER 88 CO 0.00 0.01 -0.19 0.49 -0.87 0.00 0.00 176.83 176.27 3a29 n PHE 89 N -2.77 0.00 0.31 4.77 3.01 -0.99 -4.75 117.46 117.04 3a29 n PHE 89 Ca 0.04 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.54 3a29 n PHE 89 Cb 0.50 -2.23 0.05 0.00 -0.01 0.00 0.00 39.48 37.79 3a29 n PHE 89 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3a29 n ALA 90 N 1.19 2.45 -2.42 4.37 0.00 -1.26 -3.34 120.51 121.50 3a29 n ALA 90 Ca -0.10 -0.63 -0.22 0.00 0.00 0.00 0.00 53.44 52.49 3a29 n ALA 90 Cb 0.44 -0.30 -0.10 0.00 0.00 0.00 0.00 19.45 19.48 3a29 n ALA 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3a29 s THR 91 N -0.77 2.11 0.00 0.00 -4.23 -1.26 -1.08 115.64 110.41 3a29 s THR 91 Ca 0.11 -2.26 0.00 0.00 -1.18 0.00 0.00 61.69 58.37 3a29 s THR 91 Cb 0.08 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.78 3a29 s THR 91 CO 0.11 -0.45 0.00 0.00 -0.54 0.00 0.00 174.62 173.74 3a29 s VAL 93 N -1.47 0.47 -0.11 0.00 1.01 -1.25 -0.55 120.40 118.50 3a29 s VAL 93 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3a29 s VAL 93 Cb 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.87 3a29 s VAL 93 CO 0.00 0.22 -0.13 -0.76 0.00 0.00 0.00 175.10 174.43 3a29 s LEU 94 N 1.08 1.58 -0.15 3.92 1.43 0.13 -1.78 118.68 124.90 3a29 s LEU 94 Ca -0.09 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.62 3a29 s LEU 94 Cb -0.14 -0.99 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 3a29 s LEU 94 CO -0.01 -0.02 -0.11 -0.69 0.23 0.00 0.00 176.35 175.75 3a29 s VAL 95 N 1.14 3.09 0.09 -1.59 1.01 0.03 -0.67 120.40 123.51 3a29 s VAL 95 Ca -0.04 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.35 3a29 s VAL 95 Cb -0.14 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3a29 s VAL 95 CO -0.03 0.50 -0.10 -0.55 0.00 0.00 0.00 175.10 174.92 3a29 s SER 96 N 0.64 1.46 0.43 3.32 0.15 -1.26 0.15 113.70 118.60 3a29 s SER 96 Ca -0.06 -0.79 0.10 0.00 0.70 0.00 0.00 55.95 55.91 3a29 s SER 96 Cb -0.15 0.00 0.93 0.00 -1.71 0.00 0.00 66.02 65.09 3a29 s SER 96 CO 0.03 -0.24 2.01 -0.08 1.20 0.00 0.00 173.24 176.16 3a29 h GLU 97 N 3.65 0.26 -0.67 5.44 4.81 -1.94 -3.15 114.58 122.98 3a29 h GLU 97 Ca -0.38 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 58.88 3a29 h GLU 97 Cb 1.19 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.46 3a29 h GLU 97 CO 0.51 0.28 0.36 0.93 -0.73 0.00 0.00 179.01 180.36 3a29 h GLU 98 N 0.26 0.63 -5.10 1.92 4.39 -1.96 -3.41 114.58 111.31 3a29 h GLU 98 Ca 0.06 -0.04 -0.62 0.00 0.34 0.00 0.00 59.36 59.10 3a29 h GLU 98 Cb 0.16 -0.14 -0.16 0.00 -0.10 0.00 0.00 28.75 28.50 3a29 h GLU 98 CO 0.00 0.42 -0.54 0.34 -1.16 0.00 0.00 179.01 178.07 3a29 s ASP 99 N -5.57 5.82 0.32 1.42 -1.08 -1.19 -4.97 116.67 111.43 3a29 s ASP 99 Ca -0.13 0.04 0.10 0.00 -0.52 0.00 0.00 52.55 52.05 3a29 s ASP 99 Cb 0.16 -2.04 0.89 0.00 -1.46 0.00 0.00 42.92 40.48 3a29 s ASP 99 CO 0.76 0.07 1.73 0.50 0.52 0.00 0.00 175.17 178.75 3a29 h LYS 100 N 7.47 0.56 -6.25 4.34 1.63 -1.85 -3.42 116.57 119.05 3a29 h LYS 100 Ca -0.38 -0.03 -0.59 0.00 -0.85 0.00 0.00 60.65 58.80 3a29 h LYS 100 Cb 1.17 -0.13 -0.09 0.00 -0.60 0.00 0.00 32.23 32.59 3a29 h LYS 100 CO 0.65 0.37 -0.61 -1.01 -3.45 0.00 0.00 179.45 175.40 3a29 s HIS 101 N -5.76 3.03 0.37 1.91 3.76 -1.26 -4.96 115.29 112.38 3a29 s HIS 101 Ca -0.11 -0.06 -0.27 0.00 -0.15 0.00 0.00 55.06 54.48 3a29 s HIS 101 Cb 0.27 -1.47 -0.09 0.00 1.11 0.00 0.00 32.58 32.40 3a29 s HIS 101 CO 0.80 0.52 1.23 0.00 -0.85 0.00 0.00 174.74 176.44 3a29 s ALA 102 N -1.71 3.31 -0.08 -1.40 0.00 -1.26 -4.85 121.76 115.76 3a29 s ALA 102 Ca 0.29 1.11 -0.17 0.00 0.00 0.00 0.00 51.96 53.19 3a29 s ALA 102 Cb -0.10 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 3a29 s ALA 102 CO 0.21 -0.58 0.45 0.42 0.00 0.00 0.00 175.76 176.26 3a29 s ILE 103 N -1.27 5.14 -0.30 0.00 1.09 0.16 -4.88 121.20 121.14 3a29 s ILE 103 Ca 0.53 0.90 -0.11 0.00 -1.10 0.00 0.00 60.65 60.88 3a29 s ILE 103 Cb -0.35 -3.78 -0.03 0.00 -1.06 0.00 0.00 42.46 37.24 3a29 s ILE 103 CO 0.45 0.40 0.17 -0.63 -0.10 0.00 0.00 174.94 175.24 3a29 s ILE 104 N 0.12 4.97 0.30 2.92 -1.09 -1.26 -0.70 121.20 126.46 3a29 s ILE 104 Ca 0.25 -0.13 -0.29 0.00 -2.23 0.00 0.00 60.65 58.25 3a29 s ILE 104 Cb -0.16 -3.45 -0.11 0.00 -1.58 0.00 0.00 42.46 37.17 3a29 s ILE 104 CO 0.11 0.15 1.46 -0.69 -1.23 0.00 0.00 174.94 174.75 3a29 s VAL 105 N 1.69 2.39 0.46 2.92 1.01 0.29 -4.93 120.40 124.23 3a29 s VAL 105 Ca 0.06 0.36 -0.24 0.00 0.00 0.00 0.00 61.98 62.16 3a29 s VAL 105 Cb -0.16 -3.23 -0.09 0.00 0.00 0.00 0.00 36.38 32.90 3a29 s VAL 105 CO 0.09 0.07 1.21 -1.84 0.00 0.00 0.00 175.10 174.62 3a29 n GLU 106 N 1.60 1.68 -0.31 2.72 0.28 -1.26 -4.73 120.64 120.62 3a29 n GLU 106 Ca 0.05 0.61 0.12 0.00 -0.16 0.00 0.00 57.16 57.77 3a29 n GLU 106 Cb 0.40 -2.34 0.26 0.00 1.43 0.00 0.00 31.44 31.19 3a29 n GLU 106 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 3a29 h PRO 107 N 1.71 0.06 0.00 3.44 0.13 -1.99 -0.88 132.00 134.48 3a29 h PRO 107 Ca -0.48 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3a29 h PRO 107 Cb 1.31 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3a29 h PRO 107 CO 0.58 0.04 0.00 0.39 -0.23 0.00 0.00 178.00 178.78 3a29 n GLU 108 N -5.41 0.23 0.00 0.86 1.02 -1.26 -2.48 120.64 113.60 3a29 n GLU 108 Ca 0.21 0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 3a29 n GLU 108 Cb 0.68 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 3a29 n GLU 108 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3a29 n LYS 109 N -1.26 2.09 -2.29 3.49 5.02 -0.35 -5.05 118.16 119.80 3a29 n LYS 109 Ca 0.07 -1.23 -0.41 0.00 -2.02 0.00 0.00 58.31 54.72 3a29 n LYS 109 Cb 0.11 -0.93 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 3a29 n LYS 109 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3a29 s ARG 110 N -0.74 4.44 0.43 1.97 0.52 -1.03 -4.03 118.95 120.51 3a29 s ARG 110 Ca 0.00 1.97 0.01 0.00 -0.52 0.00 0.00 55.73 57.19 3a29 s ARG 110 Cb 0.00 -3.21 -0.00 0.00 0.52 0.00 0.00 34.95 32.25 3a29 s ARG 110 CO 0.00 -0.17 0.02 0.41 0.02 0.00 0.00 175.30 175.59 3a29 n GLY 111 N 2.23 3.58 0.64 -3.53 0.00 0.17 -4.72 105.19 103.55 3a29 n GLY 111 Ca 0.05 -2.31 0.11 0.00 0.00 0.00 0.00 46.02 43.87 3a29 n GLY 111 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3a29 n LYS 112 N -1.06 1.84 -4.00 1.61 2.85 -1.16 -3.59 118.16 114.64 3a29 n LYS 112 Ca -0.16 -1.26 -0.30 0.00 -1.05 0.00 0.00 58.31 55.54 3a29 n LYS 112 Cb 0.57 -1.42 -0.05 0.00 -0.65 0.00 0.00 35.03 33.48 3a29 n LYS 112 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3a29 s TYR 113 N -1.77 3.32 -0.12 5.58 2.02 -0.24 0.34 117.35 126.47 3a29 s TYR 113 Ca 0.33 0.13 0.00 0.00 -0.37 0.00 0.00 57.07 57.17 3a29 s TYR 113 Cb 0.18 -1.66 -0.01 0.00 -0.40 0.00 0.00 41.96 40.07 3a29 s TYR 113 CO 0.27 0.55 -0.15 0.08 -1.57 0.00 0.00 175.55 174.73 3a29 s VAL 114 N -1.47 2.90 -0.09 0.71 1.01 0.24 -1.43 120.40 122.27 3a29 s VAL 114 Ca 0.32 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.61 3a29 s VAL 114 Cb -0.12 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.06 3a29 s VAL 114 CO 0.25 0.53 -0.17 -0.69 0.00 0.00 0.00 175.10 175.02 3a29 s VAL 115 N 0.34 1.56 -0.12 2.92 1.01 -0.73 0.25 120.40 125.63 3a29 s VAL 115 Ca -0.12 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3a29 s VAL 115 Cb -0.16 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 3a29 s VAL 115 CO 0.06 0.45 -0.13 0.00 0.00 0.00 0.00 175.10 175.49 3a29 s PHE 117 N 0.22 -0.23 -0.33 0.00 -0.71 0.12 -0.02 117.98 117.03 3a29 s PHE 117 Ca -0.08 -0.07 0.01 0.00 -1.04 0.00 0.00 56.93 55.75 3a29 s PHE 117 Cb -0.15 0.38 0.08 0.00 -1.21 0.00 0.00 43.02 42.12 3a29 s PHE 117 CO 0.05 -0.83 0.04 0.34 -1.34 0.00 0.00 175.22 173.48 3a29 s ASP 118 N -2.82 4.85 0.24 1.98 -1.08 -0.31 -3.07 116.67 116.45 3a29 s ASP 118 Ca 0.05 -1.79 -0.04 0.00 -0.52 0.00 0.00 52.55 50.26 3a29 s ASP 118 Cb -0.00 -1.68 0.45 0.00 -1.46 0.00 0.00 42.92 40.23 3a29 s ASP 118 CO -0.08 -0.36 1.74 1.55 0.52 0.00 0.00 175.17 178.54 3a29 h PRO 119 N 7.83 0.47 -2.00 4.34 0.13 -1.88 -2.43 132.00 138.47 3a29 h PRO 119 Ca -0.13 -0.03 -0.42 0.00 -0.87 0.00 0.00 66.00 64.55 3a29 h PRO 119 Cb 1.04 -0.11 -0.32 0.00 0.13 0.00 0.00 31.00 31.75 3a29 h PRO 119 CO 0.55 0.31 -0.76 -1.17 -0.23 0.00 0.00 178.00 176.70 3a29 s LEU 120 N -10.42 0.28 0.23 1.56 2.96 -1.25 -4.39 118.68 107.64 3a29 s LEU 120 Ca -0.12 -2.12 -0.30 0.00 -0.22 0.00 0.00 54.13 51.37 3a29 s LEU 120 Cb 0.20 0.36 -0.09 0.00 0.50 0.00 0.00 46.19 47.17 3a29 s LEU 120 CO 0.76 -0.21 1.34 -0.62 -1.32 0.00 0.00 176.35 176.31 3a29 s ASP 121 N 0.89 6.83 0.00 3.68 2.15 0.96 -2.65 116.67 128.53 3a29 s ASP 121 Ca 0.24 2.50 0.00 0.00 0.43 0.00 0.00 52.55 55.72 3a29 s ASP 121 Cb -0.08 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 3a29 s ASP 121 CO -0.08 -0.56 0.00 0.61 -0.17 0.00 0.00 175.17 174.97 3a29 n GLY 122 N 2.12 0.60 0.13 2.66 0.00 -1.26 -2.58 105.19 106.84 3a29 n GLY 122 Ca 0.05 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.09 3a29 n GLY 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a29 n SER 123 N 0.18 0.64 0.34 1.61 3.41 -1.08 -2.21 113.62 116.50 3a29 n SER 123 Ca 0.00 0.66 0.22 0.00 -0.26 0.00 0.00 58.87 59.50 3a29 n SER 123 Cb 0.00 -0.80 1.20 0.00 -0.26 0.00 0.00 64.21 64.35 3a29 n SER 123 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3a29 h SER 124 N 0.00 0.00 -2.08 4.04 0.87 -1.91 -3.14 113.55 111.33 3a29 h SER 124 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 3a29 h SER 124 Cb 0.34 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 61.91 3a29 h SER 124 CO 0.00 0.00 -1.06 -3.20 -0.53 0.00 0.00 176.83 172.04 3a29 n ASN 125 N -3.15 0.23 -0.33 6.23 2.85 -0.94 -4.90 115.26 115.25 3a29 n ASN 125 Ca -0.03 -2.67 0.06 0.00 -0.11 0.00 0.00 54.58 51.83 3a29 n ASN 125 Cb 0.07 -0.63 0.01 0.00 1.24 0.00 0.00 39.78 40.47 3a29 n ASN 125 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3a29 n ILE 126 N 1.64 0.00 0.15 -1.44 3.06 -1.19 -4.34 119.36 117.25 3a29 n ILE 126 Ca 0.23 -0.40 0.02 0.00 -2.50 0.00 0.00 62.75 60.10 3a29 n ILE 126 Cb 0.52 1.17 0.19 0.00 0.54 0.00 0.00 39.64 42.06 3a29 n ILE 126 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 3a29 h ASP 127 N 1.61 0.00 -0.29 9.51 3.32 -1.90 -2.90 116.42 125.77 3a29 h ASP 127 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a29 h ASP 127 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3a29 h ASP 127 CO 0.00 0.52 0.00 0.00 -1.72 0.00 0.00 179.24 178.04 3a29 n LEU 129 N 0.42 -1.60 -4.79 0.00 4.77 -1.09 -4.98 117.00 109.72 3a29 n LEU 129 Ca 0.12 0.18 -0.32 0.00 -0.03 0.00 0.00 56.01 55.96 3a29 n LEU 129 Cb 0.29 -2.57 0.04 0.00 -2.33 0.00 0.00 43.42 38.84 3a29 n LEU 129 CO 0.09 -0.50 0.72 0.54 -1.33 0.00 0.00 177.39 176.90 3a29 s VAL 130 N -2.80 3.64 0.49 4.08 0.11 -1.26 -4.95 120.40 119.70 3a29 s VAL 130 Ca 0.00 0.70 -0.23 0.00 -2.93 0.00 0.00 61.98 59.51 3a29 s VAL 130 Cb 0.00 -3.25 -0.07 0.00 -1.53 0.00 0.00 36.38 31.52 3a29 s VAL 130 CO 0.00 -0.53 1.31 -1.20 -3.33 0.00 0.00 175.10 171.34 3a29 n SER 131 N -2.51 2.60 -4.28 3.54 7.64 -1.26 -4.89 113.62 114.46 3a29 n SER 131 Ca 0.09 1.04 -0.15 0.00 1.01 0.00 0.00 58.87 60.86 3a29 n SER 131 Cb 0.53 -1.54 -0.10 0.00 -1.01 0.00 0.00 64.21 62.09 3a29 n SER 131 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3a29 s VAL 132 N -1.26 0.49 0.31 0.44 -7.23 -1.18 -4.77 120.40 107.20 3a29 s VAL 132 Ca 0.66 -1.99 -0.12 0.00 -1.81 0.00 0.00 61.98 58.72 3a29 s VAL 132 Cb -0.46 -2.48 0.05 0.00 0.56 0.00 0.00 36.38 34.05 3a29 s VAL 132 CO 0.54 -0.12 0.65 0.61 -0.31 0.00 0.00 175.10 176.46 3a29 n GLY 133 N -0.37 1.15 3.12 2.32 0.00 -1.07 0.51 105.19 110.85 3a29 n GLY 133 Ca -0.01 -1.20 -0.28 0.00 0.00 0.00 0.00 46.02 44.53 3a29 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a29 s THR 134 N -2.27 1.54 0.01 2.61 2.01 0.31 -0.03 115.64 119.82 3a29 s THR 134 Ca 0.13 -0.73 0.06 0.00 0.31 0.00 0.00 61.69 61.46 3a29 s THR 134 Cb -0.04 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 3a29 s THR 134 CO 0.09 0.44 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.67 3a29 s ILE 135 N 0.41 2.92 -0.03 1.82 1.01 -0.91 0.05 121.20 126.47 3a29 s ILE 135 Ca -0.14 -1.02 -0.19 0.00 0.00 0.00 0.00 60.65 59.30 3a29 s ILE 135 Cb -0.16 -2.20 0.03 0.00 0.01 0.00 0.00 42.46 40.14 3a29 s ILE 135 CO 0.05 0.42 0.40 0.72 0.00 0.00 0.00 174.94 176.53 3a29 s PHE 136 N -0.87 -0.30 -0.02 3.97 -0.12 -0.59 -1.16 117.98 118.88 3a29 s PHE 136 Ca 0.14 0.49 0.00 0.00 -0.05 0.00 0.00 56.93 57.51 3a29 s PHE 136 Cb -0.11 0.17 0.02 0.00 -0.63 0.00 0.00 43.02 42.48 3a29 s PHE 136 CO 0.04 -0.44 0.00 0.20 -0.05 0.00 0.00 175.22 174.97 3a29 s GLY 137 N -1.26 0.19 -0.13 1.99 0.00 0.97 -1.67 107.32 107.41 3a29 s GLY 137 Ca -0.13 0.14 0.01 0.00 0.00 0.00 0.00 44.72 44.74 3a29 s GLY 137 CO 0.05 0.48 -0.16 -0.42 0.00 0.00 0.00 173.10 173.05 3a29 s ILE 138 N 0.81 2.75 0.24 0.90 1.01 0.83 -0.98 121.20 126.76 3a29 s ILE 138 Ca -0.08 -0.77 0.10 0.00 0.00 0.00 0.00 60.65 59.91 3a29 s ILE 138 Cb -0.11 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 3a29 s ILE 138 CO -0.02 0.53 -0.18 -0.31 0.00 0.00 0.00 174.94 174.97 3a29 s TYR 139 N 0.41 2.04 -0.16 3.97 2.02 0.14 -1.04 117.35 124.72 3a29 s TYR 139 Ca -0.12 -0.43 -0.08 0.00 -0.37 0.00 0.00 57.07 56.07 3a29 s TYR 139 Cb -0.16 -0.92 -0.04 0.00 -0.40 0.00 0.00 41.96 40.43 3a29 s TYR 139 CO 0.06 0.55 0.11 0.50 -1.57 0.00 0.00 175.55 175.19 3a29 s ARG 140 N -3.47 3.82 -0.02 -0.62 3.52 -1.26 0.82 118.95 121.74 3a29 s ARG 140 Ca 0.26 -0.23 -0.30 0.00 -0.13 0.00 0.00 55.73 55.32 3a29 s ARG 140 Cb -0.04 -3.26 -0.09 0.00 -1.56 0.00 0.00 34.95 30.01 3a29 s ARG 140 CO 0.11 0.48 2.00 1.17 -0.81 0.00 0.00 175.30 178.25 3a29 n LYS 141 N 2.93 2.63 -0.23 5.12 4.81 0.15 -4.82 118.16 128.77 3a29 n LYS 141 Ca -0.18 0.94 0.12 0.00 -0.87 0.00 0.00 58.31 58.32 3a29 n LYS 141 Cb 0.53 -2.98 0.25 0.00 0.02 0.00 0.00 35.03 32.86 3a29 n LYS 141 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3a29 n LYS 142 N 7.58 2.47 -3.04 1.64 4.01 -1.26 -4.97 118.16 124.59 3a29 n LYS 142 Ca 0.22 -2.24 -0.18 0.00 -0.51 0.00 0.00 58.31 55.61 3a29 n LYS 142 Cb 0.39 -1.51 0.02 0.00 -0.51 0.00 0.00 35.03 33.42 3a29 n LYS 142 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3a29 s SER 143 N -1.36 5.56 -0.00 4.39 0.15 -1.26 -5.03 113.70 116.15 3a29 s SER 143 Ca 0.40 -0.49 0.05 0.00 0.70 0.00 0.00 55.95 56.61 3a29 s SER 143 Cb 0.23 -0.52 -0.06 0.00 -1.71 0.00 0.00 66.02 63.95 3a29 s SER 143 CO 0.31 -0.84 0.19 0.35 1.20 0.00 0.00 173.24 174.46 3a29 n THR 144 N -1.89 0.00 -0.71 6.45 -2.24 -1.26 -5.05 114.28 109.58 3a29 n THR 144 Ca 0.09 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3a29 n THR 144 Cb 0.59 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 3a29 n THR 144 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3a29 n ASP 145 N -1.27 -0.43 -4.72 3.42 10.43 -1.26 -5.00 116.55 117.73 3a29 n ASP 145 Ca 0.00 -0.71 -0.42 0.00 2.57 0.00 0.00 54.79 56.24 3a29 n ASP 145 Cb 0.10 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.02 3a29 n ASP 145 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 3a29 s GLU 146 N -2.76 4.52 0.24 -1.24 2.56 -1.26 -4.96 118.70 115.80 3a29 s GLU 146 Ca 0.00 1.66 -0.31 0.00 0.00 0.00 0.00 54.97 56.32 3a29 s GLU 146 Cb 0.00 -3.36 -0.14 0.00 2.00 0.00 0.00 34.13 32.63 3a29 s GLU 146 CO 0.00 -0.10 1.32 -0.35 -0.56 0.00 0.00 175.26 175.57 3a29 n PRO 147 N 3.47 1.82 -3.96 4.30 -0.04 -1.26 -4.97 135.00 134.37 3a29 n PRO 147 Ca 0.06 0.65 -0.11 0.00 -0.04 0.00 0.00 63.50 64.06 3a29 n PRO 147 Cb 0.48 -2.25 -0.02 0.00 -0.04 0.00 0.00 33.50 31.67 3a29 n PRO 147 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3a29 s SER 148 N 0.12 0.29 0.56 3.54 1.04 -1.26 -4.99 113.70 113.01 3a29 s SER 148 Ca 0.67 -1.18 0.27 0.00 0.48 0.00 0.00 55.95 56.20 3a29 s SER 148 Cb -0.69 0.72 1.47 0.00 0.10 0.00 0.00 66.02 67.62 3a29 s SER 148 CO 0.52 -1.40 1.99 -0.08 0.98 0.00 0.00 173.24 175.25 3a29 h GLU 149 N 2.09 0.00 0.00 4.02 4.81 -1.93 -1.39 114.58 122.18 3a29 h GLU 149 Ca -0.28 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 3a29 h GLU 149 Cb 1.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 3a29 h GLU 149 CO 0.37 0.00 -0.04 -0.22 -0.73 0.00 0.00 179.01 178.39 3a29 h LYS 150 N 0.00 0.00 0.00 1.92 3.11 -1.96 -2.02 116.57 117.62 3a29 h LYS 150 Ca 0.21 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.05 3a29 h LYS 150 Cb 0.96 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.19 3a29 h LYS 150 CO -0.00 0.04 0.00 -0.25 -2.81 0.00 0.00 179.45 176.43 3a29 n ASP 151 N -4.02 0.36 -0.08 4.20 8.00 -0.52 -2.15 116.55 122.33 3a29 n ASP 151 Ca -0.03 0.57 0.11 0.00 0.71 0.00 0.00 54.79 56.16 3a29 n ASP 151 Cb 0.13 -0.65 0.12 0.00 -0.02 0.00 0.00 41.12 40.70 3a29 n ASP 151 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a29 n ALA 152 N -1.64 3.88 -1.89 2.24 0.00 -0.76 -4.54 120.51 117.80 3a29 n ALA 152 Ca 0.04 -0.47 -0.40 0.00 0.00 0.00 0.00 53.44 52.61 3a29 n ALA 152 Cb 0.25 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 3a29 n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a29 n LEU 153 N -1.23 7.98 -4.42 0.00 4.77 -0.91 -4.92 117.00 118.26 3a29 n LEU 153 Ca 0.06 -4.72 -0.30 0.00 -0.03 0.00 0.00 56.01 51.02 3a29 n LEU 153 Cb 0.35 -1.43 -0.13 0.00 -2.33 0.00 0.00 43.42 39.88 3a29 n LEU 153 CO 0.36 1.94 -0.52 -1.10 -1.33 0.00 0.00 177.39 176.74 3a29 s GLN 154 N -0.10 1.95 0.43 3.23 -0.21 -1.26 -4.64 119.66 119.05 3a29 s GLN 154 Ca 0.55 -1.04 -0.25 0.00 0.02 0.00 0.00 55.36 54.64 3a29 s GLN 154 Cb 0.17 -2.11 -0.08 0.00 1.00 0.00 0.00 33.01 31.99 3a29 s GLN 154 CO -0.07 0.53 1.27 -1.25 -2.12 0.00 0.00 175.29 173.64 3a29 s PRO 155 N -1.41 3.86 0.65 2.91 0.04 -1.26 -4.71 135.00 135.08 3a29 s PRO 155 Ca 0.14 2.07 0.23 0.00 0.04 0.00 0.00 61.00 63.48 3a29 s PRO 155 Cb -0.10 -2.65 1.22 0.00 0.04 0.00 0.00 34.50 33.01 3a29 s PRO 155 CO 0.04 -0.55 1.68 0.78 0.04 0.00 0.00 177.00 179.00 3a29 h GLY 156 N 2.46 0.00 1.99 0.56 0.00 -1.52 0.15 103.07 106.71 3a29 h GLY 156 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3a29 h GLY 156 CO 0.62 0.00 0.00 -0.09 0.00 0.00 0.00 176.54 177.07 3a29 h ARG 157 N 0.00 0.00 -0.05 4.80 9.65 -1.19 -1.77 114.38 125.81 3a29 h ARG 157 Ca 0.07 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3a29 h ARG 157 Cb 1.17 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 3a29 h ARG 157 CO -0.00 0.00 0.00 0.09 2.80 0.00 0.00 179.97 182.86 3a29 n ASN 158 N -3.22 1.80 -4.73 -3.80 4.13 0.53 -4.98 115.26 105.00 3a29 n ASN 158 Ca -0.03 -1.62 -0.42 0.00 1.68 0.00 0.00 54.58 54.19 3a29 n ASN 158 Cb 0.08 -0.02 -0.01 0.00 -1.54 0.00 0.00 39.78 38.28 3a29 n ASN 158 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3a29 n LEU 159 N 0.41 4.14 -0.03 3.41 4.77 -0.67 -4.71 117.00 124.31 3a29 n LEU 159 Ca 0.18 1.18 -0.15 0.00 -0.03 0.00 0.00 56.01 57.19 3a29 n LEU 159 Cb 0.39 -1.56 -0.14 0.00 -2.33 0.00 0.00 43.42 39.79 3a29 n LEU 159 CO 0.16 -0.07 -0.81 0.52 -1.33 0.00 0.00 177.39 175.86 3a29 n VAL 160 N 1.23 1.64 -3.51 4.08 0.31 -0.21 -4.95 118.33 116.92 3a29 n VAL 160 Ca 0.06 -0.72 -0.15 0.00 -0.01 0.00 0.00 64.34 63.52 3a29 n VAL 160 Cb 0.36 -1.31 -0.05 0.00 -0.91 0.00 0.00 33.84 31.94 3a29 n VAL 160 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a29 s ALA 161 N -2.56 -1.78 0.20 3.52 0.00 -1.19 -4.43 121.76 115.52 3a29 s ALA 161 Ca -0.16 1.22 -0.22 0.00 0.00 0.00 0.00 51.96 52.80 3a29 s ALA 161 Cb 0.07 0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.28 3a29 s ALA 161 CO 0.78 -0.44 0.66 0.00 0.00 0.00 0.00 175.76 176.75 3a29 s ALA 162 N -1.67 -1.46 0.00 0.00 0.00 -0.64 -0.12 121.76 117.86 3a29 s ALA 162 Ca -0.07 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.09 3a29 s ALA 162 Cb -0.00 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.98 3a29 s ALA 162 CO 0.04 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.34 3a29 n GLY 163 N -0.41 -0.70 3.61 0.00 0.00 -0.67 0.04 105.19 107.06 3a29 n GLY 163 Ca -0.12 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.83 3a29 n GLY 163 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a29 s TYR 164 N -3.00 -0.33 -0.12 1.61 -0.85 -0.38 -1.54 117.35 112.72 3a29 s TYR 164 Ca 0.00 0.06 0.03 0.00 -0.52 0.00 0.00 57.07 56.64 3a29 s TYR 164 Cb 0.00 0.61 0.00 0.00 0.38 0.00 0.00 41.96 42.95 3a29 s TYR 164 CO 0.00 -0.88 -0.21 0.00 -1.52 0.00 0.00 175.55 172.94 3a29 s ALA 165 N -3.57 2.28 -0.22 9.51 0.00 0.11 -0.11 121.76 129.76 3a29 s ALA 165 Ca 0.06 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 50.94 3a29 s ALA 165 Cb -0.02 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 3a29 s ALA 165 CO -0.04 0.12 0.04 -1.17 0.00 0.00 0.00 175.76 174.71 3a29 s LEU 166 N 0.58 3.44 -1.06 0.00 2.96 0.64 -0.53 118.68 124.71 3a29 s LEU 166 Ca -0.12 -0.14 -0.06 0.00 -0.22 0.00 0.00 54.13 53.58 3a29 s LEU 166 Cb -0.17 -1.89 0.28 0.00 0.50 0.00 0.00 46.19 44.91 3a29 s LEU 166 CO 0.03 0.05 1.14 -1.22 -1.32 0.00 0.00 176.35 175.04 3a29 n TYR 167 N 4.36 4.33 0.00 5.38 4.01 0.18 -1.88 117.16 133.54 3a29 n TYR 167 Ca -0.17 -3.64 0.00 0.00 -0.16 0.00 0.00 57.90 53.94 3a29 n TYR 167 Cb 0.52 -1.47 0.00 0.00 -0.31 0.00 0.00 39.34 38.08 3a29 n TYR 167 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a29 n GLY 168 N 2.22 2.71 0.35 2.72 0.00 -1.26 -3.09 105.19 108.85 3a29 n GLY 168 Ca 0.24 -1.12 0.14 0.00 0.00 0.00 0.00 46.02 45.28 3a29 n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a29 h SER 169 N 0.00 0.25 -5.44 1.61 4.64 -1.99 -3.42 113.55 109.21 3a29 h SER 169 Ca 0.00 0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.14 3a29 h SER 169 Cb 0.00 -0.05 -0.15 0.00 -0.31 0.00 0.00 62.40 61.90 3a29 h SER 169 CO 0.00 0.15 -0.62 0.00 -0.87 0.00 0.00 176.83 175.49 3a29 s ALA 170 N -5.27 0.84 -0.25 5.18 0.00 -1.26 -5.14 121.76 115.86 3a29 s ALA 170 Ca -0.07 -1.46 -0.10 0.00 0.00 0.00 0.00 51.96 50.33 3a29 s ALA 170 Cb 0.20 0.93 -0.04 0.00 0.00 0.00 0.00 23.12 24.20 3a29 s ALA 170 CO 0.74 -0.51 0.14 0.99 0.00 0.00 0.00 175.76 177.12 3a29 s THR 171 N -4.06 5.06 0.02 0.00 2.01 -1.26 -4.53 115.64 112.89 3a29 s THR 171 Ca 0.25 0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.38 3a29 s THR 171 Cb 0.07 -3.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 3a29 s THR 171 CO 0.03 0.33 -0.15 -0.32 -0.69 0.00 0.00 174.62 173.81 3a29 s MET 172 N 1.33 1.08 -0.20 4.92 -2.45 -0.79 -0.47 119.30 122.72 3a29 s MET 172 Ca 0.07 -0.70 -0.02 0.00 -1.25 0.00 0.00 55.69 53.79 3a29 s MET 172 Cb -0.15 -1.09 0.00 0.00 1.25 0.00 0.00 34.83 34.84 3a29 s MET 172 CO 0.06 0.28 -0.10 -1.17 1.05 0.00 0.00 175.02 175.14 3a29 s LEU 173 N -0.86 2.62 -0.28 4.11 0.20 0.21 -0.26 118.68 124.42 3a29 s LEU 173 Ca 0.04 -0.48 -0.10 0.00 0.69 0.00 0.00 54.13 54.28 3a29 s LEU 173 Cb -0.07 -1.64 -0.04 0.00 -0.43 0.00 0.00 46.19 44.00 3a29 s LEU 173 CO 0.01 -0.01 0.16 -0.69 -0.29 0.00 0.00 176.35 175.53 3a29 s VAL 174 N 1.37 5.03 -0.14 1.68 1.01 0.85 -1.19 120.40 129.01 3a29 s VAL 174 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3a29 s VAL 174 Cb -0.14 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 3a29 s VAL 174 CO -0.06 0.26 -0.15 -0.22 0.00 0.00 0.00 175.10 174.93 3a29 s LEU 175 N 1.72 2.57 -0.04 3.92 2.96 -0.37 -1.25 118.68 128.18 3a29 s LEU 175 Ca 0.07 -0.41 0.07 0.00 -0.22 0.00 0.00 54.13 53.64 3a29 s LEU 175 Cb -0.16 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 3a29 s LEU 175 CO 0.09 0.13 -0.25 0.00 -1.32 0.00 0.00 176.35 175.00 3a29 s ALA 176 N 0.56 2.09 0.30 5.97 0.00 0.11 -1.29 121.76 129.50 3a29 s ALA 176 Ca -0.09 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.83 3a29 s ALA 176 Cb -0.16 -0.61 -0.00 0.00 0.00 0.00 0.00 23.12 22.35 3a29 s ALA 176 CO 0.04 0.44 0.38 -1.33 0.00 0.00 0.00 175.76 175.29 3a29 n MET 177 N 2.78 0.54 -0.27 0.00 2.81 -0.63 -1.63 117.12 120.73 3a29 n MET 177 Ca -0.17 -2.49 0.15 0.00 -1.81 0.00 0.00 57.70 53.37 3a29 n MET 177 Cb 0.52 2.31 0.42 0.00 -0.71 0.00 0.00 33.22 35.75 3a29 n MET 177 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3a29 h ASP 178 N 1.70 0.59 0.01 7.83 3.45 -1.93 -0.13 116.42 127.93 3a29 h ASP 178 Ca -0.22 0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.28 3a29 h ASP 178 Cb 1.02 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.72 3a29 h ASP 178 CO 0.31 0.26 0.00 0.00 -1.57 0.00 0.00 179.24 178.24 3a29 n GLY 180 N 0.56 0.30 3.53 0.00 0.00 -0.06 -4.95 105.19 104.57 3a29 n GLY 180 Ca 0.19 -2.27 -0.34 0.00 0.00 0.00 0.00 46.02 43.60 3a29 n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a29 s VAL 181 N -0.18 3.56 -0.01 1.61 1.01 -1.26 -1.60 120.40 123.53 3a29 s VAL 181 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.48 3a29 s VAL 181 Cb 0.00 -2.46 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 3a29 s VAL 181 CO 0.00 0.58 -0.07 0.20 0.00 0.00 0.00 175.10 175.80 3a29 s ASN 182 N -0.54 0.89 -0.13 3.32 -0.87 -0.41 -0.52 114.94 116.69 3a29 s ASN 182 Ca 0.08 -0.14 -0.02 0.00 -1.57 0.00 0.00 52.86 51.21 3a29 s ASN 182 Cb -0.12 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.25 40.96 3a29 s ASN 182 CO 0.02 0.08 -0.04 0.00 -2.57 0.00 0.00 177.10 174.59 3a29 s PHE 184 N -0.04 2.09 -0.19 0.00 0.08 -0.33 -1.47 117.98 118.12 3a29 s PHE 184 Ca 0.01 -0.70 -0.11 0.00 0.12 0.00 0.00 56.93 56.25 3a29 s PHE 184 Cb -0.13 -1.40 -0.05 0.00 -0.57 0.00 0.00 43.02 40.86 3a29 s PHE 184 CO 0.03 -0.26 0.17 1.41 -0.10 0.00 0.00 175.22 176.47 3a29 s MET 185 N 0.15 4.20 -0.26 0.44 -2.45 0.16 -0.62 119.30 120.92 3a29 s MET 185 Ca -0.09 -0.14 -0.28 0.00 -1.25 0.00 0.00 55.69 53.92 3a29 s MET 185 Cb -0.14 -3.42 0.01 0.00 1.25 0.00 0.00 34.83 32.53 3a29 s MET 185 CO 0.05 0.29 1.02 -1.17 1.05 0.00 0.00 175.02 176.25 3a29 s LEU 186 N 0.38 4.05 -0.57 4.11 2.96 0.39 0.40 118.68 130.39 3a29 s LEU 186 Ca 0.10 1.22 -0.21 0.00 -0.22 0.00 0.00 54.13 55.02 3a29 s LEU 186 Cb -0.11 -3.49 0.07 0.00 0.50 0.00 0.00 46.19 43.16 3a29 s LEU 186 CO -0.01 -0.72 0.77 -0.62 -1.32 0.00 0.00 176.35 174.46 3a29 s ASP 187 N 1.37 6.22 0.66 3.68 -1.08 0.35 -4.65 116.67 123.23 3a29 s ASP 187 Ca 0.43 -0.96 0.44 0.00 -0.52 0.00 0.00 52.55 51.95 3a29 s ASP 187 Cb -0.14 -2.35 2.40 0.00 -1.46 0.00 0.00 42.92 41.38 3a29 s ASP 187 CO 0.09 -1.12 2.37 1.55 0.52 0.00 0.00 175.17 178.57 3a29 h PRO 188 N 9.22 0.00 -0.24 4.34 0.13 -1.94 0.11 132.00 143.62 3a29 h PRO 188 Ca -0.28 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.76 3a29 h PRO 188 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3a29 h PRO 188 CO 1.07 0.00 -0.24 0.00 -0.23 0.00 0.00 178.00 178.59 3a29 h ALA 189 N 2.00 1.13 0.00 -0.56 0.00 -1.96 -3.31 119.26 116.55 3a29 h ALA 189 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3a29 h ALA 189 Cb 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3a29 h ALA 189 CO 0.00 0.55 0.00 0.44 0.00 0.00 0.00 179.25 180.24 3a29 n ILE 190 N -4.13 0.68 -3.84 0.00 -5.35 -0.89 -5.02 119.36 100.81 3a29 n ILE 190 Ca -0.00 -0.69 -0.24 0.00 -0.27 0.00 0.00 62.75 61.55 3a29 n ILE 190 Cb 0.40 0.67 0.00 0.00 -1.74 0.00 0.00 39.64 38.97 3a29 n ILE 190 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a29 n GLY 191 N -0.34 -0.26 3.04 3.28 0.00 0.34 -4.98 105.19 106.28 3a29 n GLY 191 Ca 0.00 0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 3a29 n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a29 s GLU 192 N -6.30 1.00 -0.30 1.61 0.41 -1.18 -4.96 118.70 108.98 3a29 s GLU 192 Ca 0.02 -0.38 -0.21 0.00 -0.41 0.00 0.00 54.97 53.99 3a29 s GLU 192 Cb -0.01 -0.94 -0.01 0.00 -1.78 0.00 0.00 34.13 31.38 3a29 s GLU 192 CO 0.85 0.19 0.68 -0.06 -0.49 0.00 0.00 175.26 176.43 3a29 s PHE 193 N -0.06 3.22 -0.21 1.61 0.08 -1.26 -0.49 117.98 120.87 3a29 s PHE 193 Ca 0.01 0.69 -0.09 0.00 0.12 0.00 0.00 56.93 57.66 3a29 s PHE 193 Cb -0.07 -3.03 -0.05 0.00 -0.57 0.00 0.00 43.02 39.31 3a29 s PHE 193 CO 0.00 -0.48 0.11 0.42 -0.10 0.00 0.00 175.22 175.17 3a29 s ILE 194 N 2.69 5.11 -0.06 0.64 -1.09 0.16 -0.36 121.20 128.29 3a29 s ILE 194 Ca 0.27 0.09 -0.30 0.00 -2.23 0.00 0.00 60.65 58.48 3a29 s ILE 194 Cb -0.15 -3.34 -0.05 0.00 -1.58 0.00 0.00 42.46 37.34 3a29 s ILE 194 CO 0.11 0.42 1.60 -0.22 -1.23 0.00 0.00 174.94 175.63 3a29 s LEU 195 N 0.59 4.31 0.00 2.97 2.96 -0.57 0.40 118.68 129.34 3a29 s LEU 195 Ca 0.06 2.18 0.00 0.00 -0.22 0.00 0.00 54.13 56.15 3a29 s LEU 195 Cb -0.12 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.03 3a29 s LEU 195 CO 0.01 -0.90 0.21 1.33 -1.32 0.00 0.00 176.35 175.68 3a29 n VAL 196 N 5.42 0.00 -3.36 1.68 0.24 -0.54 -4.77 118.33 117.00 3a29 n VAL 196 Ca 0.17 -0.39 -0.11 0.00 -2.04 0.00 0.00 64.34 61.97 3a29 n VAL 196 Cb 0.43 1.13 -0.08 0.00 -1.47 0.00 0.00 33.84 33.84 3a29 n VAL 196 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3a29 s ASP 197 N -0.35 0.56 0.07 -1.34 1.01 -1.16 -5.01 116.67 110.46 3a29 s ASP 197 Ca 0.00 -0.06 -0.11 0.00 0.71 0.00 0.00 52.55 53.10 3a29 s ASP 197 Cb 0.00 0.96 -0.06 0.00 1.01 0.00 0.00 42.92 44.83 3a29 s ASP 197 CO 0.00 -0.32 0.40 -0.75 0.21 0.00 0.00 175.17 174.71 3a29 s LYS 198 N 2.50 3.79 -1.19 8.23 2.20 -1.26 -1.20 119.74 132.81 3a29 s LYS 198 Ca 0.11 0.22 -0.33 0.00 -0.36 0.00 0.00 55.97 55.60 3a29 s LYS 198 Cb -0.15 -3.02 0.05 0.00 -1.51 0.00 0.00 37.83 33.19 3a29 s LYS 198 CO -0.20 0.58 0.67 -3.47 -0.36 0.00 0.00 175.35 172.56 3a29 n ASP 199 N 1.03 -4.12 -4.77 1.43 -0.08 -0.92 -4.85 116.55 104.27 3a29 n ASP 199 Ca -0.09 -1.29 -0.40 0.00 -1.51 0.00 0.00 54.79 51.50 3a29 n ASP 199 Cb 0.52 -1.57 -0.02 0.00 2.34 0.00 0.00 41.12 42.39 3a29 n ASP 199 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3a29 s VAL 200 N -3.50 2.73 -0.04 5.18 1.01 0.33 -4.87 120.40 121.24 3a29 s VAL 200 Ca 0.46 0.71 0.02 0.00 0.00 0.00 0.00 61.98 63.16 3a29 s VAL 200 Cb -0.26 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.70 3a29 s VAL 200 CO 0.97 0.15 -0.07 -0.54 0.00 0.00 0.00 175.10 175.60 3a29 s LYS 201 N -1.94 1.03 0.49 2.72 -0.14 -1.26 -4.46 119.74 116.19 3a29 s LYS 201 Ca 0.51 -0.23 -0.20 0.00 -1.36 0.00 0.00 55.97 54.70 3a29 s LYS 201 Cb -0.39 -0.95 -0.08 0.00 -1.68 0.00 0.00 37.83 34.73 3a29 s LYS 201 CO 0.51 0.01 1.02 -1.50 -0.76 0.00 0.00 175.35 174.63 3a29 s ILE 202 N 0.61 3.93 0.59 2.17 2.07 -0.13 -5.00 121.20 125.44 3a29 s ILE 202 Ca -0.10 1.16 -0.20 0.00 -1.41 0.00 0.00 60.65 60.10 3a29 s ILE 202 Cb -0.13 -3.48 -0.04 0.00 0.13 0.00 0.00 42.46 38.94 3a29 s ILE 202 CO 0.01 -0.30 1.23 0.29 -1.91 0.00 0.00 174.94 174.26 3a29 n LYS 203 N -1.04 1.30 0.10 3.50 5.02 -1.26 -4.88 118.16 120.89 3a29 n LYS 203 Ca 0.09 0.49 0.01 0.00 -2.02 0.00 0.00 58.31 56.88 3a29 n LYS 203 Cb 0.53 -2.44 0.33 0.00 -0.02 0.00 0.00 35.03 33.42 3a29 n LYS 203 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3a29 h LYS 204 N 0.92 0.27 -2.99 1.97 3.64 -1.94 -3.40 116.57 115.02 3a29 h LYS 204 Ca -0.50 -0.08 -0.16 0.00 -1.27 0.00 0.00 60.65 58.64 3a29 h LYS 204 Cb 1.33 -0.03 -0.27 0.00 -0.41 0.00 0.00 32.23 32.86 3a29 h LYS 204 CO 0.54 0.47 -0.40 0.21 -2.27 0.00 0.00 179.45 178.00 3a29 s LYS 205 N -4.57 0.30 0.14 1.90 2.20 -1.26 -2.05 119.74 116.41 3a29 s LYS 205 Ca -0.05 0.48 0.01 0.00 -0.36 0.00 0.00 55.97 56.05 3a29 s LYS 205 Cb 0.15 0.05 0.01 0.00 -1.51 0.00 0.00 37.83 36.54 3a29 s LYS 205 CO 0.75 -0.09 0.12 0.41 -0.36 0.00 0.00 175.35 176.18 3a29 n GLY 206 N 3.47 2.76 0.31 5.54 0.00 -1.26 -4.75 105.19 111.26 3a29 n GLY 206 Ca -0.18 -2.19 0.03 0.00 0.00 0.00 0.00 46.02 43.68 3a29 n GLY 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a29 n LYS 207 N -0.93 0.53 -4.22 1.61 5.02 -1.26 -4.78 118.16 114.13 3a29 n LYS 207 Ca 0.00 -1.50 -0.17 0.00 -2.02 0.00 0.00 58.31 54.62 3a29 n LYS 207 Cb 0.16 -0.85 -0.15 0.00 -0.02 0.00 0.00 35.03 34.17 3a29 n LYS 207 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3a29 s ILE 208 N -0.98 0.52 0.08 -0.18 1.01 -1.26 0.45 121.20 120.84 3a29 s ILE 208 Ca 0.10 -0.24 0.10 0.00 0.00 0.00 0.00 60.65 60.61 3a29 s ILE 208 Cb 0.09 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 42.06 3a29 s ILE 208 CO 0.01 0.16 -0.26 -0.72 0.00 0.00 0.00 174.94 174.14 3a29 s TYR 209 N 0.08 2.34 -0.04 3.97 1.13 -0.42 -1.51 117.35 122.90 3a29 s TYR 209 Ca -0.01 -0.39 -0.01 0.00 -1.41 0.00 0.00 57.07 55.26 3a29 s TYR 209 Cb -0.05 -1.34 0.03 0.00 -1.10 0.00 0.00 41.96 39.50 3a29 s TYR 209 CO -0.00 0.23 0.02 0.45 -2.51 0.00 0.00 175.55 173.73 3a29 s SER 210 N -1.60 0.79 -0.24 -0.18 0.15 0.53 -2.36 113.70 110.80 3a29 s SER 210 Ca 0.13 0.00 -0.34 0.00 0.70 0.00 0.00 55.95 56.44 3a29 s SER 210 Cb -0.10 -0.22 0.16 0.00 -1.71 0.00 0.00 66.02 64.15 3a29 s SER 210 CO 0.04 -0.16 1.28 -1.48 1.20 0.00 0.00 173.24 174.12 3a29 s LEU 211 N 1.53 -0.09 -0.62 3.45 2.34 -1.26 0.30 118.68 124.32 3a29 s LEU 211 Ca -0.03 0.04 -0.28 0.00 0.06 0.00 0.00 54.13 53.92 3a29 s LEU 211 Cb -0.13 1.24 0.02 0.00 -0.56 0.00 0.00 46.19 46.77 3a29 s LEU 211 CO -0.03 -0.13 1.36 0.21 -1.06 0.00 0.00 176.35 176.70 3a29 s ASN 212 N -1.74 6.15 0.00 1.48 2.47 -1.26 -4.84 114.94 117.20 3a29 s ASN 212 Ca 0.09 0.04 0.20 0.00 0.42 0.00 0.00 52.86 53.61 3a29 s ASN 212 Cb -0.01 -2.55 1.03 0.00 -1.45 0.00 0.00 41.25 38.27 3a29 s ASN 212 CO -0.05 -1.74 1.62 -0.62 -3.72 0.00 0.00 177.10 172.59 3a29 n GLU 213 N 8.85 0.33 0.13 0.43 1.02 -1.26 -2.79 120.64 127.35 3a29 n GLU 213 Ca 0.09 0.09 0.11 0.00 -0.02 0.00 0.00 57.16 57.43 3a29 n GLU 213 Cb 0.49 -1.50 0.49 0.00 -0.02 0.00 0.00 31.44 30.90 3a29 n GLU 213 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a29 n GLY 214 N 0.38 -1.18 0.85 0.62 0.00 -1.26 -1.49 105.19 103.11 3a29 n GLY 214 Ca 0.10 0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.31 3a29 n GLY 214 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3a29 n TYR 215 N -2.19 0.49 -0.35 1.61 0.53 -1.12 -4.54 117.16 111.58 3a29 n TYR 215 Ca 0.02 -0.24 0.04 0.00 -1.02 0.00 0.00 57.90 56.69 3a29 n TYR 215 Cb 0.19 0.00 0.11 0.00 -1.03 0.00 0.00 39.34 38.61 3a29 n TYR 215 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3a29 h ALA 216 N 4.08 0.52 -0.99 -0.72 0.00 -1.49 0.34 119.26 120.99 3a29 h ALA 216 Ca 0.00 0.35 0.24 0.00 0.00 0.00 0.00 54.91 55.50 3a29 h ALA 216 Cb 0.67 0.80 -0.08 0.00 0.00 0.00 0.00 17.79 19.18 3a29 h ALA 216 CO 0.00 -0.44 0.65 -0.22 0.00 0.00 0.00 179.25 179.24 3a29 h LYS 217 N -0.00 0.38 -0.35 0.00 3.64 -1.85 -0.76 116.57 117.62 3a29 h LYS 217 Ca 0.43 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 3a29 h LYS 217 Cb 0.68 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3a29 h LYS 217 CO -0.99 0.25 0.00 -0.25 -2.27 0.00 0.00 179.45 176.19 3a29 n ASP 218 N -4.56 3.25 -4.69 4.20 8.00 0.11 -5.01 116.55 117.86 3a29 n ASP 218 Ca 0.23 -1.93 -0.39 0.00 0.71 0.00 0.00 54.79 53.40 3a29 n ASP 218 Cb 0.82 -0.23 0.03 0.00 -0.02 0.00 0.00 41.12 41.72 3a29 n ASP 218 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3a29 n PHE 219 N 1.28 1.79 -2.43 1.24 3.72 -0.29 -3.28 117.46 119.49 3a29 n PHE 219 Ca 0.17 0.47 -0.36 0.00 -0.05 0.00 0.00 57.45 57.68 3a29 n PHE 219 Cb 0.55 -2.30 -0.03 0.00 -0.94 0.00 0.00 39.48 36.76 3a29 n PHE 219 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3a29 s ASP 220 N -0.84 6.45 0.30 4.37 2.15 -1.26 -4.82 116.67 123.02 3a29 s ASP 220 Ca 0.68 2.12 0.05 0.00 0.43 0.00 0.00 52.55 55.83 3a29 s ASP 220 Cb -0.46 -2.59 0.75 0.00 -0.30 0.00 0.00 42.92 40.32 3a29 s ASP 220 CO 0.52 -0.71 1.72 -0.65 -0.17 0.00 0.00 175.17 175.88 3a29 h PRO 221 N 2.16 0.48 -0.83 4.34 0.11 -1.97 -0.60 132.00 135.69 3a29 h PRO 221 Ca -0.49 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 3a29 h PRO 221 Cb 1.23 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 3a29 h PRO 221 CO 0.61 0.32 0.44 0.00 -0.21 0.00 0.00 178.00 179.16 3a29 h ALA 222 N 1.69 1.06 -0.35 -0.75 0.00 -1.91 -0.79 119.26 118.21 3a29 h ALA 222 Ca 0.57 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.27 3a29 h ALA 222 Cb 1.05 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3a29 h ALA 222 CO -0.49 0.58 -0.07 0.28 0.00 0.00 0.00 179.25 179.56 3a29 h VAL 223 N 1.15 1.28 -0.18 0.00 2.07 -1.53 -1.03 116.25 118.01 3a29 h VAL 223 Ca 0.29 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.72 3a29 h VAL 223 Cb 0.05 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3a29 h VAL 223 CO -0.04 0.37 -0.00 0.74 0.02 0.00 0.00 177.57 178.65 3a29 h THR 224 N 0.46 0.87 -0.39 2.57 2.02 -0.84 -1.19 112.91 116.40 3a29 h THR 224 Ca 0.09 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 3a29 h THR 224 Cb 0.57 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3a29 h THR 224 CO 0.03 0.01 0.19 -0.08 0.37 0.00 0.00 175.52 176.04 3a29 h GLU 225 N 0.05 0.57 -0.09 6.66 4.81 -1.09 -1.66 114.58 123.83 3a29 h GLU 225 Ca 0.09 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3a29 h GLU 225 Cb 0.11 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3a29 h GLU 225 CO -0.15 0.50 -0.03 -0.92 -0.73 0.00 0.00 179.01 177.68 3a29 h TYR 226 N 0.50 -0.08 -0.56 0.92 3.20 -0.90 -0.15 116.97 119.90 3a29 h TYR 226 Ca 0.14 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 3a29 h TYR 226 Cb 0.12 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3a29 h TYR 226 CO -0.01 -0.06 0.33 0.82 -1.64 0.00 0.00 178.16 177.60 3a29 h ILE 227 N -0.02 1.16 -0.85 1.81 1.08 -1.17 -1.17 117.51 118.36 3a29 h ILE 227 Ca 0.05 -0.38 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 3a29 h ILE 227 Cb 0.09 0.39 -0.04 0.00 -3.07 0.00 0.00 36.82 34.19 3a29 h ILE 227 CO -0.10 0.17 0.50 -0.61 -0.69 0.00 0.00 178.15 177.42 3a29 h GLN 228 N 0.77 1.16 0.00 2.37 5.75 -0.34 -1.67 115.11 123.14 3a29 h GLN 228 Ca 0.20 -0.11 -0.07 0.00 -0.15 0.00 0.00 58.65 58.53 3a29 h GLN 228 Cb -0.01 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.29 3a29 h GLN 228 CO -0.04 0.81 -0.33 0.00 -2.65 0.00 0.00 178.83 176.63 3a29 h ARG 229 N 1.17 0.00 0.00 1.69 3.08 0.16 0.16 114.38 120.64 3a29 h ARG 229 Ca 0.30 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.16 3a29 h ARG 229 Cb -0.04 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3a29 h ARG 229 CO -0.06 0.33 -0.92 0.87 -1.07 0.00 0.00 179.97 179.12 3a29 h LYS 230 N 0.00 0.00 0.07 0.04 1.79 -0.74 -2.63 116.57 115.10 3a29 h LYS 230 Ca -0.00 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.15 3a29 h LYS 230 Cb 0.84 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.46 3a29 h LYS 230 CO 0.04 0.92 -1.76 0.87 -1.08 0.00 0.00 179.45 178.44 3a29 h LYS 231 N 0.00 0.14 -2.26 3.15 1.57 -1.20 0.01 116.57 117.98 3a29 h LYS 231 Ca -0.01 -0.24 -0.59 0.00 -1.87 0.00 0.00 60.65 57.94 3a29 h LYS 231 Cb 1.69 0.09 -0.41 0.00 0.08 0.00 0.00 32.23 33.68 3a29 h LYS 231 CO 0.12 0.88 -0.75 1.19 -0.57 0.00 0.00 179.45 180.32 3a29 n PHE 232 N -3.28 2.29 -1.50 -1.35 3.72 0.53 -4.70 117.46 113.17 3a29 n PHE 232 Ca -0.22 -3.97 -0.44 0.00 -0.05 0.00 0.00 57.45 52.78 3a29 n PHE 232 Cb 1.05 -0.47 -0.01 0.00 -0.94 0.00 0.00 39.48 39.12 3a29 n PHE 232 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3a29 n PRO 233 N 1.24 0.79 0.13 -1.08 -0.02 -0.99 -4.53 135.00 130.54 3a29 n PRO 233 Ca 0.26 0.28 -0.11 0.00 -2.02 0.00 0.00 63.50 61.92 3a29 n PRO 233 Cb 0.44 -1.57 -0.07 0.00 -0.02 0.00 0.00 33.50 32.28 3a29 n PRO 233 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3a29 h PRO 234 N 1.27 -0.37 -0.11 0.52 0.11 -1.93 -3.04 132.00 128.44 3a29 h PRO 234 Ca -0.38 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3a29 h PRO 234 Cb 1.38 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.58 3a29 h PRO 234 CO 0.56 -0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 177.90 3a29 n ASP 235 N -5.05 0.11 -2.22 -2.05 5.75 -1.26 -4.78 116.55 107.05 3a29 n ASP 235 Ca -0.08 -0.92 -0.19 0.00 -0.01 0.00 0.00 54.79 53.58 3a29 n ASP 235 Cb 0.26 -0.06 -0.03 0.00 -1.03 0.00 0.00 41.12 40.26 3a29 n ASP 235 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3a29 n ASN 236 N -0.31 -5.43 -3.75 -1.12 4.13 -1.15 -4.99 115.26 102.64 3a29 n ASN 236 Ca 0.00 0.13 -0.30 0.00 1.68 0.00 0.00 54.58 56.08 3a29 n ASN 236 Cb 0.03 -4.60 0.23 0.00 -1.54 0.00 0.00 39.78 33.91 3a29 n ASN 236 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3a29 s SER 237 N -2.18 1.54 0.13 6.41 1.04 -1.26 -4.97 113.70 114.41 3a29 s SER 237 Ca 0.00 0.33 -0.30 0.00 0.48 0.00 0.00 55.95 56.46 3a29 s SER 237 Cb 0.00 -0.37 -0.07 0.00 0.10 0.00 0.00 66.02 65.68 3a29 s SER 237 CO 0.00 -3.71 1.20 0.00 0.98 0.00 0.00 173.24 171.71 3a29 s ALA 238 N -3.45 3.42 0.64 5.32 0.00 -1.26 -4.56 121.76 121.86 3a29 s ALA 238 Ca 0.74 0.91 -0.17 0.00 0.00 0.00 0.00 51.96 53.44 3a29 s ALA 238 Cb -0.05 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 3a29 s ALA 238 CO 0.55 -0.39 1.19 -1.25 0.00 0.00 0.00 175.76 175.85 3a29 s PRO 239 N 0.33 2.73 0.55 0.00 0.04 -1.26 -4.92 135.00 132.47 3a29 s PRO 239 Ca 0.55 1.72 -0.19 0.00 0.04 0.00 0.00 61.00 63.13 3a29 s PRO 239 Cb -0.31 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 3a29 s PRO 239 CO 0.33 -1.37 1.10 0.71 0.04 0.00 0.00 177.00 177.81 3a29 s TYR 240 N -1.84 2.76 0.47 0.56 1.51 -0.01 -5.01 117.35 115.79 3a29 s TYR 240 Ca 0.75 1.55 -0.09 0.00 -1.01 0.00 0.00 57.07 58.26 3a29 s TYR 240 Cb -0.28 -3.21 -0.05 0.00 -0.11 0.00 0.00 41.96 38.31 3a29 s TYR 240 CO 0.38 -1.40 0.83 0.20 -1.11 0.00 0.00 175.55 174.45 3a29 s GLY 241 N -1.98 1.75 -0.02 0.71 0.00 0.17 -4.80 107.32 103.14 3a29 s GLY 241 Ca 0.70 -0.27 0.03 0.00 0.00 0.00 0.00 44.72 45.18 3a29 s GLY 241 CO 0.28 -0.07 -0.08 0.00 0.00 0.00 0.00 173.10 173.23 3a29 s ALA 242 N -2.65 2.96 -0.15 3.20 0.00 -1.26 -1.30 121.76 122.56 3a29 s ALA 242 Ca 0.51 -0.98 -0.08 0.00 0.00 0.00 0.00 51.96 51.41 3a29 s ALA 242 Cb -0.10 -1.13 0.05 0.00 0.00 0.00 0.00 23.12 21.94 3a29 s ALA 242 CO 0.40 0.60 0.35 1.03 0.00 0.00 0.00 175.76 178.13 3a29 s ARG 243 N -1.18 0.33 -0.29 0.00 1.81 -0.99 -4.96 118.95 113.66 3a29 s ARG 243 Ca 0.15 0.69 0.02 0.00 -1.72 0.00 0.00 55.73 54.87 3a29 s ARG 243 Cb -0.11 -0.05 0.16 0.00 -0.45 0.00 0.00 34.95 34.49 3a29 s ARG 243 CO 0.05 -0.16 0.39 -0.47 -0.68 0.00 0.00 175.30 174.43 3a29 s TYR 244 N 1.32 -0.89 0.11 -0.53 5.04 -1.26 -4.06 117.35 117.07 3a29 s TYR 244 Ca -0.09 0.18 -0.08 0.00 -2.44 0.00 0.00 57.07 54.64 3a29 s TYR 244 Cb -0.09 -0.22 -0.14 0.00 0.35 0.00 0.00 41.96 41.86 3a29 s TYR 244 CO -0.11 -0.98 1.26 0.28 -1.34 0.00 0.00 175.55 174.67 3a29 h VAL 245 N 6.12 1.36 0.00 3.14 2.07 -1.97 -3.48 116.25 123.49 3a29 h VAL 245 Ca -0.09 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.06 3a29 h VAL 245 Cb 1.11 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 3a29 h VAL 245 CO 0.27 0.72 0.00 0.61 0.02 0.00 0.00 177.57 179.19 3a29 n GLY 246 N 1.00 0.22 3.25 2.17 0.00 -1.26 -5.02 105.19 105.55 3a29 n GLY 246 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 3a29 n GLY 246 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3a29 s SER 247 N -2.15 4.67 0.24 1.61 0.15 -1.26 -4.90 113.70 112.06 3a29 s SER 247 Ca 0.00 -0.86 -0.04 0.00 0.70 0.00 0.00 55.95 55.75 3a29 s SER 247 Cb 0.00 -1.75 0.46 0.00 -1.71 0.00 0.00 66.02 63.03 3a29 s SER 247 CO 0.00 -0.17 1.72 -0.03 1.20 0.00 0.00 173.24 175.96 3a29 h MET 248 N 8.09 0.39 -0.73 5.44 4.05 -1.93 -0.84 114.93 129.40 3a29 h MET 248 Ca -0.31 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.13 3a29 h MET 248 Cb 1.11 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.77 3a29 h MET 248 CO 0.58 0.26 0.44 0.28 0.23 0.00 0.00 176.91 178.70 3a29 h VAL 249 N 0.40 1.05 -0.08 -5.77 2.07 -1.94 0.22 116.25 112.21 3a29 h VAL 249 Ca 0.42 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 3a29 h VAL 249 Cb 0.65 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3a29 h VAL 249 CO -0.43 0.15 -0.04 0.00 0.02 0.00 0.00 177.57 177.28 3a29 h ALA 250 N 1.33 0.11 -0.65 1.67 0.00 -1.56 -1.13 119.26 119.03 3a29 h ALA 250 Ca 0.30 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3a29 h ALA 250 Cb 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3a29 h ALA 250 CO -0.14 -0.14 0.35 -0.44 0.00 0.00 0.00 179.25 178.88 3a29 h ASP 251 N -0.21 0.82 -0.51 0.00 3.32 -0.98 -1.43 116.42 117.42 3a29 h ASP 251 Ca 0.02 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.87 3a29 h ASP 251 Cb 0.48 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3a29 h ASP 251 CO 0.01 0.68 -0.05 0.58 -1.72 0.00 0.00 179.24 178.75 3a29 h VAL 252 N 0.89 1.27 -0.61 -1.35 2.07 -0.58 -1.93 116.25 116.01 3a29 h VAL 252 Ca 0.23 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.53 3a29 h VAL 252 Cb 0.05 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3a29 h VAL 252 CO -0.04 0.41 0.18 -0.74 0.02 0.00 0.00 177.57 177.40 3a29 h HIS 253 N 0.80 1.00 -0.72 1.57 -0.00 -0.98 -0.90 115.15 115.93 3a29 h HIS 253 Ca 0.14 -0.11 0.01 0.00 -0.00 0.00 0.00 60.37 60.42 3a29 h HIS 253 Cb 0.59 -0.29 -0.04 0.00 -0.00 0.00 0.00 27.41 27.68 3a29 h HIS 253 CO 0.04 0.83 0.47 -0.09 -0.00 0.00 0.00 177.93 179.18 3a29 h ARG 254 N 0.88 0.92 -0.85 5.26 2.43 -1.14 -0.51 114.38 121.37 3a29 h ARG 254 Ca 0.20 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3a29 h ARG 254 Cb 0.31 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3a29 h ARG 254 CO -0.00 0.61 0.56 1.15 -1.51 0.00 0.00 179.97 180.78 3a29 h THR 255 N 0.95 1.21 -0.14 0.20 2.02 -0.81 0.19 112.91 116.52 3a29 h THR 255 Ca 0.27 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 3a29 h THR 255 Cb -0.08 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.29 3a29 h THR 255 CO -0.07 0.21 0.01 0.25 0.37 0.00 0.00 175.52 176.29 3a29 h LEU 256 N 1.15 0.23 -0.10 2.58 5.85 -0.33 0.54 115.31 125.22 3a29 h LEU 256 Ca 0.31 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 3a29 h LEU 256 Cb -0.12 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 3a29 h LEU 256 CO -0.07 0.45 -0.18 0.58 -0.34 0.00 0.00 178.44 178.88 3a29 h VAL 257 N -0.00 1.38 -0.01 1.05 2.07 -0.90 -3.34 116.25 116.50 3a29 h VAL 257 Ca 0.04 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.12 3a29 h VAL 257 Cb 0.33 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 3a29 h VAL 257 CO 0.00 0.41 -0.50 -1.22 0.02 0.00 0.00 177.57 176.29 3a29 n TYR 258 N -4.55 0.00 -0.24 1.57 4.01 0.64 -4.88 117.16 113.72 3a29 n TYR 258 Ca -0.07 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.70 3a29 n TYR 258 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.41 3a29 n TYR 258 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a29 n GLY 259 N 1.41 -1.89 0.00 2.72 0.00 0.19 -4.65 105.19 102.97 3a29 n GLY 259 Ca 0.09 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3a29 n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a29 n GLY 260 N -2.48 0.41 3.01 -0.02 0.00 -1.26 -4.55 105.19 100.30 3a29 n GLY 260 Ca -0.00 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 43.87 3a29 n GLY 260 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3a29 s ILE 261 N -0.73 0.00 -0.06 -0.61 2.07 -0.57 0.26 121.20 121.56 3a29 s ILE 261 Ca 0.00 -0.04 0.05 0.00 -1.41 0.00 0.00 60.65 59.26 3a29 s ILE 261 Cb 0.00 -0.20 -0.01 0.00 0.13 0.00 0.00 42.46 42.38 3a29 s ILE 261 CO 0.00 -0.02 -0.23 0.12 -1.91 0.00 0.00 174.94 172.90 3a29 s PHE 262 N -0.00 2.31 0.01 3.50 5.36 0.26 -0.34 117.98 129.07 3a29 s PHE 262 Ca -0.01 -0.74 0.03 0.00 -0.96 0.00 0.00 56.93 55.25 3a29 s PHE 262 Cb -0.01 -1.53 -0.01 0.00 -0.34 0.00 0.00 43.02 41.13 3a29 s PHE 262 CO 0.00 -0.25 -0.08 -0.51 -1.46 0.00 0.00 175.22 172.92 3a29 s LEU 263 N -0.01 2.09 -0.46 6.12 1.02 0.15 -1.39 118.68 126.21 3a29 s LEU 263 Ca -0.07 -0.28 0.07 0.00 0.02 0.00 0.00 54.13 53.87 3a29 s LEU 263 Cb -0.14 -0.35 0.24 0.00 0.02 0.00 0.00 46.19 45.95 3a29 s LEU 263 CO 0.04 0.01 0.74 0.00 0.02 0.00 0.00 176.35 177.17 3a29 n TYR 264 N 2.41 -2.32 -1.85 0.29 4.19 -0.62 -4.33 117.16 114.94 3a29 n TYR 264 Ca -0.16 -2.38 -0.29 0.00 3.31 0.00 0.00 57.90 58.38 3a29 n TYR 264 Cb 0.56 0.89 0.14 0.00 0.49 0.00 0.00 39.34 41.43 3a29 n TYR 264 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3a29 s PRO 265 N 0.06 1.18 0.45 2.98 0.04 -1.26 -2.15 135.00 136.30 3a29 s PRO 265 Ca 0.33 -0.11 -0.09 0.00 0.04 0.00 0.00 61.00 61.17 3a29 s PRO 265 Cb 0.19 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.80 3a29 s PRO 265 CO -0.19 -2.10 0.80 0.00 0.04 0.00 0.00 177.00 175.55 3a29 s ALA 266 N -3.67 3.34 0.00 8.56 0.00 -1.26 -4.62 121.76 124.11 3a29 s ALA 266 Ca 0.68 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.35 3a29 s ALA 266 Cb -0.08 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.33 3a29 s ALA 266 CO 0.51 -0.20 0.00 0.27 0.00 0.00 0.00 175.76 176.35 3a29 n ASN 267 N -1.78 0.03 0.09 0.00 2.04 0.56 -4.41 115.26 111.79 3a29 n ASN 267 Ca 0.02 0.00 -0.09 0.00 -0.44 0.00 0.00 54.58 54.07 3a29 n ASN 267 Cb 0.54 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.74 3a29 n ASN 267 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 3a29 h LYS 268 N 0.00 -0.30 0.25 -3.83 3.64 -1.89 -3.28 116.57 111.15 3a29 h LYS 268 Ca 0.00 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3a29 h LYS 268 Cb 0.00 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3a29 h LYS 268 CO 0.00 0.00 -0.16 0.87 -2.27 0.00 0.00 179.45 177.90 3a29 h LYS 269 N -0.98 -0.38 -3.66 1.90 1.79 -1.98 -3.34 116.57 109.91 3a29 h LYS 269 Ca -0.03 0.03 -0.77 0.00 -2.18 0.00 0.00 60.65 57.69 3a29 h LYS 269 Cb 0.45 0.09 -0.29 0.00 -1.58 0.00 0.00 32.23 30.90 3a29 h LYS 269 CO 0.05 -0.25 0.13 -1.12 -1.08 0.00 0.00 179.45 177.18 3a29 s SER 270 N -4.85 6.68 0.43 0.86 0.01 -1.26 -4.93 113.70 110.63 3a29 s SER 270 Ca -0.15 -3.10 0.11 0.00 1.31 0.00 0.00 55.95 54.11 3a29 s SER 270 Cb 0.06 -2.14 0.93 0.00 0.21 0.00 0.00 66.02 65.08 3a29 s SER 270 CO 0.65 -0.42 2.01 1.55 0.41 0.00 0.00 173.24 177.44 3a29 h PRO 271 N 7.16 0.26 -0.29 12.44 0.13 -1.70 0.16 132.00 150.16 3a29 h PRO 271 Ca 0.12 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3a29 h PRO 271 Cb 0.95 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3a29 h PRO 271 CO 0.84 0.27 0.00 0.09 -0.23 0.00 0.00 178.00 178.97 3a29 n ASN 272 N -4.40 3.76 0.00 1.44 3.02 -1.26 -4.70 115.26 113.12 3a29 n ASN 272 Ca -0.00 -2.82 0.00 0.00 -0.03 0.00 0.00 54.58 51.72 3a29 n ASN 272 Cb 0.17 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 3a29 n ASN 272 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a29 n GLY 273 N -0.28 -2.40 0.01 7.41 0.00 -1.11 -1.39 105.19 107.43 3a29 n GLY 273 Ca 0.20 -1.72 -0.01 0.00 0.00 0.00 0.00 46.02 44.48 3a29 n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3a29 n LYS 274 N -0.23 1.70 -2.01 1.61 4.81 -1.26 -4.68 118.16 118.10 3a29 n LYS 274 Ca 0.00 0.01 -0.34 0.00 -0.87 0.00 0.00 58.31 57.11 3a29 n LYS 274 Cb 0.00 -1.04 0.02 0.00 0.02 0.00 0.00 35.03 34.03 3a29 n LYS 274 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3a29 s LEU 275 N -4.67 3.55 0.04 3.14 1.43 -1.26 -4.83 118.68 116.08 3a29 s LEU 275 Ca -0.02 2.04 -0.25 0.00 -1.03 0.00 0.00 54.13 54.87 3a29 s LEU 275 Cb 0.01 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.61 3a29 s LEU 275 CO 0.06 -1.38 0.77 -0.13 0.23 0.00 0.00 176.35 175.89 3a29 s ARG 276 N -3.76 4.49 0.03 1.70 3.00 -1.26 -1.09 118.95 122.05 3a29 s ARG 276 Ca 0.69 1.06 -0.25 0.00 0.00 0.00 0.00 55.73 57.22 3a29 s ARG 276 Cb -0.21 -3.37 -0.17 0.00 0.00 0.00 0.00 34.95 31.20 3a29 s ARG 276 CO 0.35 0.26 1.41 1.25 0.00 0.00 0.00 175.30 178.57 3a29 h LEU 277 N 5.76 -0.17 -0.17 2.53 5.85 -1.48 -0.03 115.31 127.60 3a29 h LEU 277 Ca -0.44 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.07 3a29 h LEU 277 Cb 1.20 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 3a29 h LEU 277 CO 0.71 0.12 0.08 -0.07 -0.34 0.00 0.00 178.44 178.94 3a29 h LEU 278 N -0.48 0.23 -2.50 2.25 -0.00 -1.80 0.29 115.31 113.30 3a29 h LEU 278 Ca -0.02 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 3a29 h LEU 278 Cb 0.37 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 3a29 h LEU 278 CO 0.03 0.29 0.00 0.00 -0.00 0.00 0.00 178.44 178.76 3a29 n TYR 279 N -4.88 0.32 0.09 1.13 4.11 -1.26 -4.43 117.16 112.24 3a29 n TYR 279 Ca -0.04 -0.37 0.00 0.00 -0.00 0.00 0.00 57.90 57.49 3a29 n TYR 279 Cb 0.10 -0.02 0.00 0.00 -0.00 0.00 0.00 39.34 39.42 3a29 n TYR 279 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 3a29 n GLU 280 N 0.50 0.00 0.26 -3.48 1.02 -0.96 -4.17 120.64 113.80 3a29 n GLU 280 Ca 0.10 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.10 3a29 n GLU 280 Cb 0.38 -0.32 -0.07 0.00 -0.02 0.00 0.00 31.44 31.40 3a29 n GLU 280 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a29 h ASN 282 N -1.05 -0.90 -0.63 0.00 -0.26 -1.17 0.10 115.58 111.67 3a29 h ASN 282 Ca -0.07 0.13 0.10 0.00 -0.56 0.00 0.00 56.30 55.90 3a29 h ASN 282 Cb 0.61 0.37 -0.08 0.00 -1.06 0.00 0.00 38.32 38.17 3a29 h ASN 282 CO 0.12 -0.35 0.24 -0.65 -1.06 0.00 0.00 177.43 175.72 3a29 h PRO 283 N -0.41 0.41 -0.22 0.81 0.11 -1.78 0.21 132.00 131.13 3a29 h PRO 283 Ca 0.08 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.07 3a29 h PRO 283 Cb 0.53 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 3a29 h PRO 283 CO -0.29 0.27 -0.29 0.52 -0.21 0.00 0.00 178.00 178.00 3a29 h MET 284 N 0.42 0.44 -0.58 1.05 2.86 -1.37 -1.94 114.93 115.80 3a29 h MET 284 Ca 0.32 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.71 3a29 h MET 284 Cb 0.41 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 3a29 h MET 284 CO -0.32 0.69 0.04 0.00 1.06 0.00 0.00 176.91 178.37 3a29 h ALA 285 N 1.32 0.77 -0.33 6.32 0.00 0.23 -1.06 119.26 126.51 3a29 h ALA 285 Ca 0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3a29 h ALA 285 Cb 0.70 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3a29 h ALA 285 CO 0.05 0.57 0.11 -0.92 0.00 0.00 0.00 179.25 179.07 3a29 h TYR 286 N 0.89 0.53 -0.05 0.00 3.20 -0.69 -0.18 116.97 120.66 3a29 h TYR 286 Ca 0.17 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.00 3a29 h TYR 286 Cb 0.50 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 3a29 h TYR 286 CO 0.04 0.51 -0.02 0.28 -1.64 0.00 0.00 178.16 177.33 3a29 h VAL 287 N 0.38 0.92 -0.09 1.81 2.07 -1.21 -1.04 116.25 119.10 3a29 h VAL 287 Ca 0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 3a29 h VAL 287 Cb 0.23 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3a29 h VAL 287 CO -0.01 0.00 -0.08 0.24 0.02 0.00 0.00 177.57 177.74 3a29 h MET 288 N -0.02 -0.10 -0.85 1.57 2.86 -0.98 -1.72 114.93 115.69 3a29 h MET 288 Ca 0.03 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3a29 h MET 288 Cb 0.06 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 3a29 h MET 288 CO -0.06 -0.07 0.41 0.93 1.06 0.00 0.00 176.91 179.19 3a29 h GLU 289 N -0.10 1.23 0.00 1.72 5.08 -0.88 0.59 114.58 122.21 3a29 h GLU 289 Ca 0.06 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3a29 h GLU 289 Cb 0.19 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3a29 h GLU 289 CO -0.15 0.94 0.00 0.87 -1.00 0.00 0.00 179.01 179.67 3a29 h LYS 290 N 1.22 0.00 -0.44 2.33 1.79 -0.86 -1.71 116.57 118.90 3a29 h LYS 290 Ca 0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 3a29 h LYS 290 Cb 0.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 3a29 h LYS 290 CO -0.04 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.33 3a29 n ALA 291 N -1.89 2.41 -0.53 3.86 0.00 -0.62 -4.31 120.51 119.43 3a29 n ALA 291 Ca 0.01 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.40 3a29 n ALA 291 Cb 0.21 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3a29 n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a29 n GLY 292 N 1.49 0.72 0.00 0.00 0.00 -0.64 -0.96 105.19 105.80 3a29 n GLY 292 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3a29 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a29 n GLY 293 N -2.53 2.16 3.18 -0.02 0.00 0.20 -4.48 105.19 103.70 3a29 n GLY 293 Ca 0.00 -2.13 -0.12 0.00 0.00 0.00 0.00 46.02 43.78 3a29 n GLY 293 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a29 s MET 294 N -1.52 0.86 -0.20 1.61 1.00 -0.62 -3.86 119.30 116.57 3a29 s MET 294 Ca 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 55.69 54.34 3a29 s MET 294 Cb 0.00 -0.31 0.10 0.00 0.00 0.00 0.00 34.83 34.63 3a29 s MET 294 CO 0.00 0.01 0.33 0.00 0.00 0.00 0.00 175.02 175.36 3a29 s ALA 295 N -3.36 -0.84 0.15 3.03 0.00 -1.26 -1.52 121.76 117.96 3a29 s ALA 295 Ca 0.11 0.91 0.05 0.00 0.00 0.00 0.00 51.96 53.04 3a29 s ALA 295 Cb 0.03 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 3a29 s ALA 295 CO -0.03 -1.02 -0.12 -0.08 0.00 0.00 0.00 175.76 174.51 3a29 s THR 296 N 2.49 1.31 -1.28 0.00 -1.32 0.25 -1.67 115.64 115.42 3a29 s THR 296 Ca 0.06 -1.98 0.23 0.00 -1.21 0.00 0.00 61.69 58.80 3a29 s THR 296 Cb -0.14 -1.78 -0.05 0.00 -1.51 0.00 0.00 72.50 69.02 3a29 s THR 296 CO -0.13 -0.62 1.18 0.35 -2.21 0.00 0.00 174.62 173.19 3a29 n THR 297 N -0.00 0.00 0.00 5.08 -2.24 0.17 -0.22 114.28 117.07 3a29 n THR 297 Ca -0.11 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3a29 n THR 297 Cb 0.59 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 3a29 n THR 297 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a29 n GLY 298 N 1.46 3.11 0.08 3.38 0.00 -1.26 -4.73 105.19 107.23 3a29 n GLY 298 Ca 0.06 -1.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.04 3a29 n GLY 298 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3a29 n LYS 299 N 0.00 0.65 -3.75 1.61 4.81 -1.26 -4.97 118.16 115.25 3a29 n LYS 299 Ca 0.00 0.11 -0.04 0.00 -0.87 0.00 0.00 58.31 57.51 3a29 n LYS 299 Cb 0.00 -1.69 -0.01 0.00 0.02 0.00 0.00 35.03 33.35 3a29 n LYS 299 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3a29 s GLU 300 N -2.88 1.17 0.21 1.64 -1.05 -1.26 -5.13 118.70 111.40 3a29 s GLU 300 Ca -0.06 -0.64 -0.30 0.00 -0.15 0.00 0.00 54.97 53.82 3a29 s GLU 300 Cb 0.09 0.40 -0.09 0.00 -0.44 0.00 0.00 34.13 34.09 3a29 s GLU 300 CO 0.83 -0.54 1.41 0.00 0.95 0.00 0.00 175.26 177.92 3a29 s ALA 301 N -3.27 3.61 0.25 -0.84 0.00 -1.26 -0.66 121.76 119.59 3a29 s ALA 301 Ca 0.12 1.25 -0.05 0.00 0.00 0.00 0.00 51.96 53.28 3a29 s ALA 301 Cb -0.01 -3.54 0.48 0.00 0.00 0.00 0.00 23.12 20.04 3a29 s ALA 301 CO 0.02 -0.67 1.67 0.28 0.00 0.00 0.00 175.76 177.05 3a29 h VAL 302 N 3.75 0.45 0.00 0.00 2.07 -1.62 0.58 116.25 121.47 3a29 h VAL 302 Ca -0.45 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3a29 h VAL 302 Cb 1.21 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3a29 h VAL 302 CO 0.80 0.04 0.00 -0.07 0.02 0.00 0.00 177.57 178.36 3a29 h LEU 303 N 0.21 0.00 0.00 2.57 4.07 -1.91 -2.54 115.31 117.72 3a29 h LEU 303 Ca 0.43 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.39 3a29 h LEU 303 Cb 0.75 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.49 3a29 h LEU 303 CO -0.57 0.00 -0.95 0.47 -1.08 0.00 0.00 178.44 176.32 3a29 n ASP 304 N -2.64 0.64 -4.69 -0.43 8.00 0.19 -0.62 116.55 117.01 3a29 n ASP 304 Ca -0.02 -0.03 -0.42 0.00 0.71 0.00 0.00 54.79 55.03 3a29 n ASP 304 Cb 0.08 0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 41.77 3a29 n ASP 304 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3a29 s VAL 305 N -3.22 2.70 -0.34 2.53 1.01 -0.96 -4.93 120.40 117.19 3a29 s VAL 305 Ca 0.03 0.19 -0.19 0.00 0.00 0.00 0.00 61.98 62.01 3a29 s VAL 305 Cb 0.13 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 3a29 s VAL 305 CO 0.78 -0.00 0.56 -0.63 0.00 0.00 0.00 175.10 175.81 3a29 s ILE 306 N 2.74 4.98 0.53 2.22 1.09 -1.26 -4.35 121.20 127.15 3a29 s ILE 306 Ca 0.79 0.51 -0.18 0.00 -1.10 0.00 0.00 60.65 60.68 3a29 s ILE 306 Cb -0.44 -3.98 -0.07 0.00 -1.06 0.00 0.00 42.46 36.91 3a29 s ILE 306 CO 0.35 -0.20 1.03 -2.16 -0.10 0.00 0.00 174.94 173.86 3a29 s PRO 307 N 2.49 3.67 0.00 2.79 0.04 -1.26 -4.96 135.00 137.77 3a29 s PRO 307 Ca 0.21 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.45 3a29 s PRO 307 Cb -0.15 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3a29 s PRO 307 CO 0.13 -0.52 0.00 0.25 0.04 0.00 0.00 177.00 176.90 3a29 n THR 308 N -1.50 0.00 -3.79 1.26 -2.24 -1.26 -4.82 114.28 101.93 3a29 n THR 308 Ca 0.08 -0.22 -0.19 0.00 -2.27 0.00 0.00 64.05 61.45 3a29 n THR 308 Cb 0.53 0.72 -0.17 0.00 -2.10 0.00 0.00 70.33 69.31 3a29 n THR 308 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3a29 s ASP 309 N -1.28 0.93 0.65 3.42 3.68 -1.26 -5.04 116.67 117.77 3a29 s ASP 309 Ca 0.00 -0.00 0.30 0.00 2.13 0.00 0.00 52.55 54.98 3a29 s ASP 309 Cb 0.00 -0.24 1.60 0.00 -1.45 0.00 0.00 42.92 42.83 3a29 s ASP 309 CO 0.00 -0.18 1.92 0.16 0.13 0.00 0.00 175.17 177.20 3a29 h ILE 310 N 6.33 0.08 -0.17 4.11 3.07 -1.94 -0.21 117.51 128.79 3a29 h ILE 310 Ca -0.27 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.14 3a29 h ILE 310 Cb 1.13 0.66 0.00 0.00 -0.27 0.00 0.00 36.82 38.34 3a29 h ILE 310 CO 0.31 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.82 3a29 n HIS 311 N -3.06 0.50 -2.02 0.16 8.25 -1.26 -4.50 115.22 113.28 3a29 n HIS 311 Ca -0.00 -0.83 -0.37 0.00 -0.26 0.00 0.00 57.72 56.26 3a29 n HIS 311 Cb 0.43 -0.20 0.02 0.00 1.12 0.00 0.00 29.99 31.36 3a29 n HIS 311 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3a29 s GLN 312 N -2.43 3.24 0.47 -0.41 -2.07 -0.09 -4.82 119.66 113.55 3a29 s GLN 312 Ca 0.32 1.92 -0.02 0.00 -1.82 0.00 0.00 55.36 55.77 3a29 s GLN 312 Cb 0.26 -2.15 -0.01 0.00 -1.09 0.00 0.00 33.01 30.02 3a29 s GLN 312 CO 0.07 -1.01 0.72 1.03 -1.32 0.00 0.00 175.29 174.77 3a29 s ARG 313 N -3.04 3.18 -0.20 9.60 0.52 -1.26 -1.32 118.95 126.43 3a29 s ARG 313 Ca 0.72 -0.25 -0.15 0.00 -0.52 0.00 0.00 55.73 55.52 3a29 s ARG 313 Cb -0.32 -2.49 0.06 0.00 0.52 0.00 0.00 34.95 32.72 3a29 s ARG 313 CO 0.37 -0.28 0.52 0.00 0.02 0.00 0.00 175.30 175.93 3a29 s ALA 314 N -2.64 -1.32 0.71 2.13 0.00 -0.25 -4.68 121.76 115.71 3a29 s ALA 314 Ca 0.48 1.64 -0.11 0.00 0.00 0.00 0.00 51.96 53.97 3a29 s ALA 314 Cb -0.10 -0.97 0.02 0.00 0.00 0.00 0.00 23.12 22.07 3a29 s ALA 314 CO 0.40 -0.27 1.07 -1.25 0.00 0.00 0.00 175.76 175.71 3a29 s PRO 315 N 0.79 2.73 -0.21 0.00 0.04 -0.96 -4.19 135.00 133.21 3a29 s PRO 315 Ca -0.04 1.06 -0.12 0.00 0.04 0.00 0.00 61.00 61.94 3a29 s PRO 315 Cb -0.05 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.59 3a29 s PRO 315 CO -0.06 -1.27 0.51 0.54 0.04 0.00 0.00 177.00 176.76 3a29 s VAL 316 N -2.93 -0.02 -0.17 -0.36 0.11 -0.92 -4.30 120.40 111.82 3a29 s VAL 316 Ca 0.60 0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.70 3a29 s VAL 316 Cb -0.15 -0.74 0.04 0.00 -1.53 0.00 0.00 36.38 34.00 3a29 s VAL 316 CO 0.54 0.02 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.65 3a29 s ILE 317 N 1.37 1.09 0.23 7.04 1.09 0.69 -1.58 121.20 131.12 3a29 s ILE 317 Ca -0.09 -0.66 0.00 0.00 -1.10 0.00 0.00 60.65 58.80 3a29 s ILE 317 Cb -0.07 -1.30 -0.04 0.00 -1.06 0.00 0.00 42.46 39.99 3a29 s ILE 317 CO -0.14 0.08 0.13 -1.48 -0.10 0.00 0.00 174.94 173.44 3a29 s LEU 318 N 1.64 1.34 0.00 2.97 0.05 -0.48 -0.58 118.68 123.61 3a29 s LEU 318 Ca 0.00 -1.42 0.00 0.00 0.05 0.00 0.00 54.13 52.76 3a29 s LEU 318 Cb -0.16 0.28 0.00 0.00 -2.05 0.00 0.00 46.19 44.27 3a29 s LEU 318 CO -0.08 -0.82 0.00 0.61 -0.55 0.00 0.00 176.35 175.51 3a29 n GLY 319 N -0.36 0.62 3.71 -3.48 0.00 -0.58 -0.58 105.19 104.53 3a29 n GLY 319 Ca 0.02 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 3a29 n GLY 319 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3a29 n SER 320 N 0.00 3.07 -0.02 1.61 7.64 0.14 -1.59 113.62 124.47 3a29 n SER 320 Ca 0.00 1.18 -0.10 0.00 1.01 0.00 0.00 58.87 60.96 3a29 n SER 320 Cb 0.00 -1.50 -0.04 0.00 -1.01 0.00 0.00 64.21 61.66 3a29 n SER 320 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3a29 h PRO 321 N 3.55 -0.35 -0.69 1.43 0.11 -1.77 -0.87 132.00 133.41 3a29 h PRO 321 Ca -0.46 0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.73 3a29 h PRO 321 Cb 1.27 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.41 3a29 h PRO 321 CO 0.70 -0.23 0.46 -0.44 -0.21 0.00 0.00 178.00 178.27 3a29 h ASP 322 N -0.36 0.62 -0.19 -2.05 5.19 -1.76 0.16 116.42 118.03 3a29 h ASP 322 Ca 0.11 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.35 3a29 h ASP 322 Cb 0.54 -0.13 0.01 0.00 0.18 0.00 0.00 39.33 39.93 3a29 h ASP 322 CO -0.39 0.40 -0.57 0.44 -3.12 0.00 0.00 179.24 176.00 3a29 h ASP 323 N 0.70 0.83 -0.36 6.45 3.45 -1.58 -1.79 116.42 124.11 3a29 h ASP 323 Ca 0.30 -0.59 -0.10 0.00 0.43 0.00 0.00 57.03 57.07 3a29 h ASP 323 Cb 0.27 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.79 3a29 h ASP 323 CO -0.10 1.27 -0.16 0.58 -1.57 0.00 0.00 179.24 179.26 3a29 h VAL 324 N 0.43 1.28 -0.76 -1.35 2.07 -0.62 -1.71 116.25 115.59 3a29 h VAL 324 Ca -0.02 -1.28 0.03 0.00 0.82 0.00 0.00 66.70 66.25 3a29 h VAL 324 Cb 1.20 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 32.26 3a29 h VAL 324 CO 0.12 0.42 0.48 -0.07 0.02 0.00 0.00 177.57 178.54 3a29 h LEU 325 N 0.54 0.79 -0.80 2.57 4.07 -0.71 0.24 115.31 122.00 3a29 h LEU 325 Ca 0.08 -0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.01 3a29 h LEU 325 Cb 0.70 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 42.23 3a29 h LEU 325 CO 0.05 0.54 0.40 -0.08 -1.08 0.00 0.00 178.44 178.27 3a29 h GLU 326 N 0.93 1.14 -0.26 1.13 4.81 -1.09 -0.50 114.58 120.75 3a29 h GLU 326 Ca 0.30 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3a29 h GLU 326 Cb 0.02 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 3a29 h GLU 326 CO -0.11 0.88 0.16 0.35 -0.73 0.00 0.00 179.01 179.56 3a29 h PHE 327 N 1.13 0.33 -0.12 0.92 3.57 -0.31 -1.91 116.94 120.54 3a29 h PHE 327 Ca 0.28 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.81 3a29 h PHE 327 Cb 0.10 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3a29 h PHE 327 CO 0.01 0.23 0.09 -0.07 -2.23 0.00 0.00 178.31 176.34 3a29 h LEU 328 N 0.33 0.02 -0.22 0.59 3.38 -0.32 0.18 115.31 119.27 3a29 h LEU 328 Ca 0.09 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3a29 h LEU 328 Cb -0.01 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3a29 h LEU 328 CO -0.02 0.01 -0.03 0.11 0.09 0.00 0.00 178.44 178.60 3a29 h LYS 329 N 0.02 0.41 -0.32 1.13 1.57 -0.33 0.12 116.57 119.17 3a29 h LYS 329 Ca 0.06 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3a29 h LYS 329 Cb 0.20 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3a29 h LYS 329 CO -0.00 0.63 0.11 0.28 -0.57 0.00 0.00 179.45 179.90 3a29 h VAL 330 N 0.16 1.20 -0.45 0.50 2.07 -0.84 -1.53 116.25 117.36 3a29 h VAL 330 Ca 0.06 -0.64 0.07 0.00 0.82 0.00 0.00 66.70 67.01 3a29 h VAL 330 Cb 0.46 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 3a29 h VAL 330 CO 0.02 0.22 0.11 0.22 0.02 0.00 0.00 177.57 178.15 3a29 h TYR 331 N 0.36 0.18 -0.72 1.57 3.20 -0.54 -1.32 116.97 119.71 3a29 h TYR 331 Ca 0.10 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3a29 h TYR 331 Cb 0.23 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 3a29 h TYR 331 CO 0.00 0.03 0.35 0.93 -1.64 0.00 0.00 178.16 177.84 3a29 h GLU 332 N 0.25 1.03 -0.07 1.82 5.08 -0.72 -1.33 114.58 120.63 3a29 h GLU 332 Ca 0.22 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3a29 h GLU 332 Cb 0.26 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 3a29 h GLU 332 CO -0.27 0.79 0.10 -0.22 -1.00 0.00 0.00 179.01 178.41 3a29 h LYS 333 N 1.02 0.00 -0.50 2.33 3.64 -0.20 0.06 116.57 122.93 3a29 h LYS 333 Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3a29 h LYS 333 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3a29 h LYS 333 CO -0.03 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.87 3a29 n HIS 334 N -3.68 1.51 -0.20 1.91 8.25 -0.51 -5.11 115.22 117.38 3a29 n HIS 334 Ca -0.01 -0.72 0.00 0.00 -0.26 0.00 0.00 57.72 56.73 3a29 n HIS 334 Cb 0.19 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 30.95 3a29 n HIS 334 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41