#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 2.49 0.01 2.53 0.11 -1.26 -5.03 120.40 119.24 3a29 s VAL 10 Ca 0.00 0.34 0.01 0.00 -2.93 0.00 0.00 61.98 59.40 3a29 s VAL 10 Cb 0.00 -3.16 -0.01 0.00 -1.53 0.00 0.00 36.38 31.68 3a29 s VAL 10 CO 0.00 -0.03 -0.03 0.21 -3.33 0.00 0.00 175.10 171.92 3a29 s ASN 11 N -1.26 0.33 0.32 3.54 2.47 -1.26 -5.08 114.94 114.00 3a29 s ASN 11 Ca 0.72 -0.17 0.09 0.00 0.42 0.00 0.00 52.86 53.92 3a29 s ASN 11 Cb -0.34 -0.00 -0.05 0.00 -1.45 0.00 0.00 41.25 39.40 3a29 s ASN 11 CO 0.40 -0.05 -0.00 0.42 -3.72 0.00 0.00 177.10 174.14 3a29 s THR 12 N -0.43 2.79 0.19 -5.21 -4.23 -1.26 -0.97 115.64 106.51 3a29 s THR 12 Ca -0.03 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.37 3a29 s THR 12 Cb -0.03 -2.77 0.09 0.00 1.34 0.00 0.00 72.50 71.13 3a29 s THR 12 CO -0.00 -0.25 1.84 0.25 -0.54 0.00 0.00 174.62 175.91 3a29 h LEU 13 N 1.85 0.61 -0.11 4.79 5.85 -1.40 -0.48 115.31 126.43 3a29 h LEU 13 Ca -0.43 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.30 3a29 h LEU 13 Cb 1.25 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 3a29 h LEU 13 CO 0.65 0.43 0.00 0.74 -0.34 0.00 0.00 178.44 179.92 3a29 h THR 14 N 0.73 0.93 -0.50 1.05 2.02 -1.96 0.44 112.91 115.62 3a29 h THR 14 Ca 0.23 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.36 3a29 h THR 14 Cb -0.02 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3a29 h THR 14 CO -0.08 0.01 0.20 -0.09 0.37 0.00 0.00 175.52 175.93 3a29 h ARG 15 N 0.04 0.74 -0.01 6.66 2.43 -1.91 -1.21 114.38 121.13 3a29 h ARG 15 Ca 0.05 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3a29 h ARG 15 Cb 0.06 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3a29 h ARG 15 CO -0.08 0.66 -0.01 0.35 -1.51 0.00 0.00 179.97 179.38 3a29 h PHE 16 N 0.66 -0.03 -0.34 2.20 3.57 -0.84 -1.52 116.94 120.64 3a29 h PHE 16 Ca 0.17 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 3a29 h PHE 16 Cb 0.19 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3a29 h PHE 16 CO 0.00 -0.02 0.20 0.28 -2.23 0.00 0.00 178.31 176.54 3a29 h VAL 17 N -0.01 1.13 -0.61 1.41 2.07 -0.81 -1.69 116.25 117.74 3a29 h VAL 17 Ca 0.01 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 3a29 h VAL 17 Cb 0.03 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3a29 h VAL 17 CO -0.02 0.13 0.29 -0.03 0.02 0.00 0.00 177.57 177.96 3a29 h MET 18 N 0.43 0.85 -0.18 1.57 1.85 -1.10 -0.42 114.93 117.94 3a29 h MET 18 Ca 0.12 -0.11 -0.04 0.00 -0.61 0.00 0.00 59.70 59.06 3a29 h MET 18 Cb 0.03 -0.16 -0.01 0.00 0.43 0.00 0.00 31.60 31.89 3a29 h MET 18 CO -0.02 0.66 -0.05 1.49 -0.40 0.00 0.00 176.91 178.59 3a29 h GLU 19 N 0.85 0.34 -0.68 0.39 4.57 -0.95 0.66 114.58 119.77 3a29 h GLU 19 Ca 0.21 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 3a29 h GLU 19 Cb 0.09 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 3a29 h GLU 19 CO -0.03 0.62 0.26 0.93 -1.18 0.00 0.00 179.01 179.61 3a29 h GLU 20 N 0.05 1.02 -0.52 1.92 4.39 -1.07 -1.42 114.58 118.94 3a29 h GLU 20 Ca 0.04 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 3a29 h GLU 20 Cb 0.50 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3a29 h GLU 20 CO 0.02 0.84 0.13 0.78 -1.16 0.00 0.00 179.01 179.61 3a29 h GLY 21 N 1.07 0.89 1.10 -3.84 0.00 -0.91 -1.77 103.07 99.60 3a29 h GLY 21 Ca 0.23 -0.56 0.02 0.00 0.00 0.00 0.00 47.33 47.02 3a29 h GLY 21 CO -0.02 0.52 0.58 -0.09 0.00 0.00 0.00 176.54 177.53 3a29 h ARG 22 N 0.72 1.12 -0.24 4.80 2.43 -0.31 -2.44 114.38 120.46 3a29 h ARG 22 Ca 0.16 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 59.11 3a29 h ARG 22 Cb 0.33 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3a29 h ARG 22 CO 0.00 0.74 -0.49 0.87 -1.51 0.00 0.00 179.97 179.58 3a29 h LYS 23 N 1.15 0.65 0.00 0.20 1.57 -0.92 -2.83 116.57 116.40 3a29 h LYS 23 Ca 0.33 -0.38 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3a29 h LYS 23 Cb -0.08 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 3a29 h LYS 23 CO -0.08 0.99 -0.01 0.00 -0.57 0.00 0.00 179.45 179.78 3a29 h ALA 24 N 0.94 1.22 -6.00 3.86 0.00 -0.83 -3.46 119.26 114.98 3a29 h ALA 24 Ca 0.02 -0.01 -0.40 0.00 0.00 0.00 0.00 54.91 54.52 3a29 h ALA 24 Cb 1.04 -0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.90 3a29 h ALA 24 CO 0.10 0.01 -0.81 0.54 0.00 0.00 0.00 179.25 179.09 3a29 n ARG 25 N -3.42 -5.35 0.00 0.00 1.74 -1.07 -5.00 116.66 103.56 3a29 n ARG 25 Ca -0.03 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 57.72 3a29 n ARG 25 Cb 0.10 -5.35 0.00 0.00 -1.02 0.00 0.00 32.46 26.19 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 -1.50 4.01 0.19 -0.13 0.00 -1.26 -5.03 105.19 101.48 3a29 n GLY 26 Ca -0.28 -1.85 0.12 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 3a29 h THR 27 Cb 0.00 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 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 1.13 0.77 0.14 5.82 0.00 -1.26 -4.98 105.19 106.81 3a29 n GLY 28 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 3a29 n GLY 28 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3a29 h GLU 29 N 3.70 -0.27 -0.61 1.61 5.08 -1.98 -2.65 114.58 119.47 3a29 h GLU 29 Ca 0.00 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 3a29 h GLU 29 Cb 0.00 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 3a29 h GLU 29 CO 0.00 -0.13 0.41 1.25 -1.00 0.00 0.00 179.01 179.54 3a29 h LEU 30 N -0.34 0.37 -0.22 1.33 5.85 -1.94 0.01 115.31 120.39 3a29 h LEU 30 Ca -0.03 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3a29 h LEU 30 Cb 0.26 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3a29 h LEU 30 CO 0.05 0.22 0.13 0.74 -0.34 0.00 0.00 178.44 179.25 3a29 h THR 31 N 0.42 1.08 -0.68 1.05 2.02 -1.84 0.86 112.91 115.81 3a29 h THR 31 Ca 0.28 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.23 3a29 h THR 31 Cb 0.55 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 3a29 h THR 31 CO -0.08 0.07 0.20 1.56 0.37 0.00 0.00 175.52 177.65 3a29 h GLN 32 N 0.27 1.05 0.23 6.66 1.08 -0.76 0.22 115.11 123.87 3a29 h GLN 32 Ca 0.08 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 57.05 3a29 h GLN 32 Cb 0.00 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 3a29 h GLN 32 CO -0.02 0.90 -0.11 1.25 -0.95 0.00 0.00 178.83 179.91 3a29 h LEU 33 N 1.01 -0.27 -0.78 1.46 6.46 -0.66 -1.04 115.31 121.49 3a29 h LEU 33 Ca 0.22 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 3a29 h LEU 33 Cb 0.30 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.26 3a29 h LEU 33 CO -0.01 -0.08 0.50 -0.07 -0.62 0.00 0.00 178.44 178.16 3a29 h LEU 34 N -0.44 0.92 -0.39 2.25 3.38 -0.64 -0.41 115.31 119.97 3a29 h LEU 34 Ca -0.03 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.91 3a29 h LEU 34 Cb 0.33 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3a29 h LEU 34 CO 0.05 0.68 0.23 0.78 0.09 0.00 0.00 178.44 180.27 3a29 h ASN 35 N 1.06 0.37 -0.74 -0.43 -0.26 -0.82 0.40 115.58 115.16 3a29 h ASN 35 Ca 0.28 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 56.02 3a29 h ASN 35 Cb -0.09 -0.07 -0.04 0.00 -1.06 0.00 0.00 38.32 37.07 3a29 h ASN 35 CO -0.06 0.26 0.42 0.28 -1.06 0.00 0.00 177.43 177.28 3a29 h SER 36 N 0.46 0.91 -0.62 5.81 0.02 -0.66 -1.47 113.55 117.99 3a29 h SER 36 Ca 0.15 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 3a29 h SER 36 Cb 0.01 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 3a29 h SER 36 CO -0.07 0.73 0.14 0.25 -1.14 0.00 0.00 176.83 176.74 3a29 h LEU 37 N 1.02 0.96 -0.40 5.07 5.85 -0.61 -1.23 115.31 125.96 3a29 h LEU 37 Ca 0.26 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.77 3a29 h LEU 37 Cb 0.01 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3a29 h LEU 37 CO -0.04 0.95 0.19 0.00 -0.34 0.00 0.00 178.44 179.20 3a29 h THR 39 N 0.39 1.24 -0.69 0.00 2.02 -1.02 -2.04 112.91 112.81 3a29 h THR 39 Ca 0.17 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.55 3a29 h THR 39 Cb 0.09 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 3a29 h THR 39 CO -0.13 0.31 0.45 0.00 0.37 0.00 0.00 175.52 176.52 3a29 h ALA 40 N 1.07 0.87 -0.69 6.16 0.00 -0.64 -1.76 119.26 124.27 3a29 h ALA 40 Ca 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3a29 h ALA 40 Cb 0.27 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3a29 h ALA 40 CO -0.01 0.31 0.40 0.28 0.00 0.00 0.00 179.25 180.23 3a29 h VAL 41 N 0.93 1.20 -0.35 0.00 2.07 -0.48 0.51 116.25 120.13 3a29 h VAL 41 Ca 0.25 -0.47 -0.12 0.00 0.82 0.00 0.00 66.70 67.18 3a29 h VAL 41 Cb -0.09 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 3a29 h VAL 41 CO -0.05 0.22 -0.28 0.11 0.02 0.00 0.00 177.57 177.58 3a29 h LYS 42 N 0.96 0.73 -0.47 1.57 1.57 -0.92 -0.24 116.57 119.77 3a29 h LYS 42 Ca 0.25 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3a29 h LYS 42 Cb -0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3a29 h LYS 42 CO -0.04 0.93 0.12 0.00 -0.57 0.00 0.00 179.45 179.88 3a29 h ALA 43 N 1.06 0.62 -0.36 3.86 0.00 -0.53 -0.72 119.26 123.18 3a29 h ALA 43 Ca 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3a29 h ALA 43 Cb 0.80 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3a29 h ALA 43 CO 0.07 0.30 0.15 0.82 0.00 0.00 0.00 179.25 180.58 3a29 h ILE 44 N 0.63 1.19 -0.27 0.00 2.04 -0.72 -2.12 117.51 118.25 3a29 h ILE 44 Ca 0.15 -0.57 0.06 0.00 1.00 0.00 0.00 64.86 65.50 3a29 h ILE 44 Cb 0.32 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 3a29 h ILE 44 CO 0.00 0.20 -0.08 -1.28 0.00 0.00 0.00 178.15 177.00 3a29 h SER 45 N 0.44 -0.28 -0.58 1.72 0.87 -0.77 0.36 113.55 115.30 3a29 h SER 45 Ca 0.12 0.09 0.07 0.00 -1.23 0.00 0.00 61.79 60.83 3a29 h SER 45 Cb 0.18 0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 62.26 3a29 h SER 45 CO -0.01 -0.10 0.28 -1.28 -0.53 0.00 0.00 176.83 175.18 3a29 h SER 46 N -0.02 0.37 -0.52 6.23 0.87 -0.93 -0.59 113.55 118.97 3a29 h SER 46 Ca 0.13 0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.62 3a29 h SER 46 Cb 0.22 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 3a29 h SER 46 CO -0.29 0.24 -0.16 0.00 -0.53 0.00 0.00 176.83 176.09 3a29 h ALA 47 N 1.34 0.72 -0.71 6.23 0.00 -0.64 -2.71 119.26 123.48 3a29 h ALA 47 Ca 0.27 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3a29 h ALA 47 Cb 0.24 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3a29 h ALA 47 CO -0.22 0.67 0.31 0.28 0.00 0.00 0.00 179.25 180.29 3a29 h VAL 48 N 0.89 1.24 0.00 0.00 2.07 0.33 -0.90 116.25 119.87 3a29 h VAL 48 Ca 0.13 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3a29 h VAL 48 Cb 0.73 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3a29 h VAL 48 CO 0.06 0.29 0.00 0.54 0.02 0.00 0.00 177.57 178.48 3a29 n ARG 49 N -4.31 0.79 -2.84 1.57 5.12 -0.29 -4.88 116.66 111.82 3a29 n ARG 49 Ca 0.07 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.85 3a29 n ARG 49 Cb 0.16 -1.23 0.03 0.00 -1.16 0.00 0.00 32.46 30.26 3a29 n ARG 49 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3a29 n LYS 50 N -0.73 -3.44 -1.98 5.56 4.76 -0.34 -4.99 118.16 117.00 3a29 n LYS 50 Ca 0.09 0.51 -0.42 0.00 -2.87 0.00 0.00 58.31 55.62 3a29 n LYS 50 Cb 0.04 -4.54 -0.03 0.00 -1.84 0.00 0.00 35.03 28.66 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 -3.00 3.70 0.00 7.82 0.00 -1.03 -2.16 121.76 127.09 3a29 s ALA 51 Ca 0.23 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.53 3a29 s ALA 51 Cb -0.10 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3a29 s ALA 51 CO 0.29 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.70 3a29 n GLY 52 N 3.08 0.73 0.30 0.00 0.00 -1.26 -4.87 105.19 103.16 3a29 n GLY 52 Ca 0.11 0.00 0.16 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 0.47 -0.86 -0.61 2.10 -1.84 -1.59 117.51 115.17 3a29 h ILE 53 Ca 0.00 -0.09 0.07 0.00 1.08 0.00 0.00 64.86 65.92 3a29 h ILE 53 Cb 0.00 1.06 -0.06 0.00 -1.09 0.00 0.00 36.82 36.73 3a29 h ILE 53 CO 0.00 0.02 0.56 0.00 -1.08 0.00 0.00 178.15 177.65 3a29 h ALA 54 N 1.98 1.57 -0.11 0.18 0.00 -1.90 -0.23 119.26 120.75 3a29 h ALA 54 Ca -0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3a29 h ALA 54 Cb 0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3a29 h ALA 54 CO 0.00 0.29 -0.30 0.45 0.00 0.00 0.00 179.25 179.69 3a29 h HIS 55 N 0.95 0.22 -0.23 0.00 3.86 -1.68 -1.72 115.15 116.54 3a29 h HIS 55 Ca 0.38 -0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.47 3a29 h HIS 55 Cb 0.24 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 3a29 h HIS 55 CO -0.00 0.49 -0.17 1.25 0.86 0.00 0.00 177.93 180.35 3a29 h LEU 56 N 0.18 0.39 -3.40 2.43 7.12 -1.11 -2.86 115.31 118.06 3a29 h LEU 56 Ca 0.03 -0.11 -0.09 0.00 0.13 0.00 0.00 57.88 57.84 3a29 h LEU 56 Cb 0.63 -0.11 -0.06 0.00 -0.53 0.00 0.00 40.66 40.60 3a29 h LEU 56 CO 0.05 0.59 0.12 -1.22 -0.13 0.00 0.00 178.44 177.84 3a29 n TYR 57 N -4.19 2.06 -1.76 1.25 4.02 -0.86 -4.94 117.16 112.74 3a29 n TYR 57 Ca -0.00 -0.86 -0.01 0.00 -0.01 0.00 0.00 57.90 57.02 3a29 n TYR 57 Cb 0.34 -0.55 -0.00 0.00 -0.02 0.00 0.00 39.34 39.10 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 0.26 0.36 0.35 2.72 0.00 -1.08 -4.96 105.19 102.84 3a29 n GLY 58 Ca 0.31 -0.89 0.06 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.49 -0.61 2.10 -1.53 -1.33 117.51 116.67 3a29 h ILE 59 Ca -0.03 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.66 3a29 h ILE 59 Cb 0.77 0.22 0.00 0.00 -1.09 0.00 0.00 36.82 36.72 3a29 h ILE 59 CO 0.04 0.14 0.00 0.00 -1.08 0.00 0.00 178.15 177.24 3a29 n ALA 60 N -2.45 3.41 -0.16 0.18 0.00 -1.26 -5.07 120.51 115.16 3a29 n ALA 60 Ca 0.10 -1.94 0.00 0.00 0.00 0.00 0.00 53.44 51.60 3a29 n ALA 60 Cb 0.21 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 0.41 0.59 3.93 0.00 0.00 -0.51 -5.20 105.19 104.40 3a29 n GLY 61 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 3a29 n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a29 s LYS 71 N -0.84 3.48 0.55 1.61 -2.85 -1.26 -4.75 119.74 115.68 3a29 s LYS 71 Ca 0.00 -0.14 -0.21 0.00 -1.00 0.00 0.00 55.97 54.62 3a29 s LYS 71 Cb 0.00 -2.54 -0.05 0.00 -2.06 0.00 0.00 37.83 33.17 3a29 s LYS 71 CO 0.00 -0.01 1.25 1.17 0.10 0.00 0.00 175.35 177.86 3a29 n LYS 72 N -1.99 1.50 -0.36 1.78 4.81 -1.26 -4.80 118.16 117.85 3a29 n LYS 72 Ca -0.02 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 3a29 n LYS 72 Cb 0.56 -2.45 0.16 0.00 0.02 0.00 0.00 35.03 33.32 3a29 n LYS 72 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3a29 h LEU 73 N 1.25 1.07 -0.53 3.14 5.85 -1.99 -0.47 115.31 123.63 3a29 h LEU 73 Ca -0.50 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.06 3a29 h LEU 73 Cb 1.32 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 3a29 h LEU 73 CO 0.56 0.73 -0.49 -2.24 -0.34 0.00 0.00 178.44 176.67 3a29 h ASP 74 N 1.24 0.70 -0.32 1.25 -0.00 -1.94 -0.05 116.42 117.29 3a29 h ASP 74 Ca 0.39 -0.35 -0.05 0.00 -0.00 0.00 0.00 57.03 57.02 3a29 h ASP 74 Cb -0.00 -0.20 -0.01 0.00 -0.00 0.00 0.00 39.33 39.12 3a29 h ASP 74 CO -0.12 1.07 0.01 0.58 -0.00 0.00 0.00 179.24 180.77 3a29 h VAL 75 N 0.51 1.26 -0.42 4.15 2.07 -1.82 -0.99 116.25 121.01 3a29 h VAL 75 Ca 0.02 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 3a29 h VAL 75 Cb 1.03 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 3a29 h VAL 75 CO 0.10 0.31 0.23 0.25 0.02 0.00 0.00 177.57 178.48 3a29 h LEU 76 N 0.37 0.52 -0.73 2.57 5.85 -1.00 -0.67 115.31 122.23 3a29 h LEU 76 Ca 0.09 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3a29 h LEU 76 Cb 0.43 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3a29 h LEU 76 CO 0.02 0.45 0.47 0.28 -0.34 0.00 0.00 178.44 179.32 3a29 h SER 77 N 0.54 0.79 -0.58 1.25 0.02 -0.84 -0.21 113.55 114.52 3a29 h SER 77 Ca 0.15 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 3a29 h SER 77 Cb 0.05 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 3a29 h SER 77 CO -0.02 0.56 0.18 -1.13 -1.14 0.00 0.00 176.83 175.27 3a29 h ASN 78 N 0.94 0.84 -0.53 3.07 -1.24 -0.82 -2.02 115.58 115.81 3a29 h ASN 78 Ca 0.28 -0.21 -0.01 0.00 0.71 0.00 0.00 56.30 57.07 3a29 h ASN 78 Cb -0.04 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 38.76 3a29 h ASN 78 CO -0.09 0.83 0.28 0.44 -1.29 0.00 0.00 177.43 177.60 3a29 h ASP 79 N 0.81 0.67 0.30 1.15 3.32 -0.55 0.16 116.42 122.28 3a29 h ASP 79 Ca 0.18 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3a29 h ASP 79 Cb 0.29 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3a29 h ASP 79 CO -0.01 0.59 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.79 3a29 h LEU 80 N 0.71 -0.65 0.20 1.55 3.38 -0.79 0.15 115.31 119.87 3a29 h LEU 80 Ca 0.18 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 3a29 h LEU 80 Cb 0.08 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3a29 h LEU 80 CO -0.03 -0.37 -0.15 0.58 0.09 0.00 0.00 178.44 178.56 3a29 h VAL 81 N -0.56 0.67 -0.39 1.22 2.07 -1.27 -0.40 116.25 117.59 3a29 h VAL 81 Ca -0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.58 3a29 h VAL 81 Cb 0.50 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 3a29 h VAL 81 CO -0.02 0.00 -0.06 0.24 0.02 0.00 0.00 177.57 177.75 3a29 h MET 82 N -0.36 0.04 -0.38 1.57 2.86 -0.85 0.15 114.93 117.96 3a29 h MET 82 Ca -0.01 -0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 3a29 h MET 82 Cb 0.32 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3a29 h MET 82 CO -0.01 0.03 -0.24 -0.97 1.06 0.00 0.00 176.91 176.78 3a29 h ASN 83 N 0.04 0.87 -0.59 1.22 -0.73 -0.56 -1.80 115.58 114.04 3a29 h ASN 83 Ca 0.19 -0.43 -0.10 0.00 1.87 0.00 0.00 56.30 57.84 3a29 h ASN 83 Cb 0.29 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.61 3a29 h ASN 83 CO -0.37 1.11 -0.01 0.24 -0.37 0.00 0.00 177.43 178.03 3a29 h MET 84 N 0.64 1.05 0.02 6.67 2.86 -0.76 -1.81 114.93 123.61 3a29 h MET 84 Ca 0.08 -0.34 -0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3a29 h MET 84 Cb 0.81 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.37 3a29 h MET 84 CO 0.07 1.04 -0.01 -0.07 1.06 0.00 0.00 176.91 178.99 3a29 h LEU 85 N 0.95 -0.02 -0.29 1.22 3.38 -0.96 -2.49 115.31 117.10 3a29 h LEU 85 Ca 0.17 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.90 3a29 h LEU 85 Cb 0.56 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 3a29 h LEU 85 CO 0.03 0.29 -0.08 0.11 0.09 0.00 0.00 178.44 178.87 3a29 h LYS 86 N -0.33 -0.02 0.00 1.13 1.57 -1.30 -1.05 116.57 116.57 3a29 h LYS 86 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3a29 h LYS 86 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3a29 h LYS 86 CO 0.00 -0.01 0.00 -1.13 -0.57 0.00 0.00 179.45 177.74 3a29 n SER 87 N -5.26 0.00 0.19 0.86 3.41 -0.68 -2.21 113.62 109.93 3a29 n SER 87 Ca -0.00 -0.39 0.12 0.00 -0.26 0.00 0.00 58.87 58.34 3a29 n SER 87 Cb 0.18 -0.07 0.19 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.62 4.04 4.64 -0.71 -3.47 113.55 117.43 3a29 h SER 88 Ca 0.00 -0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 3a29 h SER 88 Cb 0.04 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.02 3a29 h SER 88 CO 0.00 0.00 -0.24 0.49 -0.87 0.00 0.00 176.83 176.21 3a29 n PHE 89 N -2.93 0.00 0.33 4.77 3.01 -0.94 -4.75 117.46 116.95 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 0.52 -2.49 0.03 0.00 -0.01 0.00 0.00 39.48 37.53 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 1.24 2.51 -2.47 4.37 0.00 -1.26 -3.46 120.51 121.44 3a29 n ALA 90 Ca -0.13 -0.55 -0.23 0.00 0.00 0.00 0.00 53.44 52.53 3a29 n ALA 90 Cb 0.48 -0.26 -0.10 0.00 0.00 0.00 0.00 19.45 19.56 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 -0.70 2.21 0.00 0.00 -4.23 -1.26 -1.07 115.64 110.60 3a29 s THR 91 Ca 0.09 -2.30 0.00 0.00 -1.18 0.00 0.00 61.69 58.30 3a29 s THR 91 Cb 0.06 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.54 3a29 s THR 91 CO 0.11 -0.37 0.00 0.00 -0.54 0.00 0.00 174.62 173.82 3a29 s VAL 93 N -1.41 0.77 -0.13 0.00 1.01 -1.24 -1.42 120.40 117.98 3a29 s VAL 93 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.75 3a29 s VAL 93 Cb 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.64 3a29 s VAL 93 CO 0.00 0.28 -0.15 -0.76 0.00 0.00 0.00 175.10 174.47 3a29 s LEU 94 N 0.98 1.71 -0.17 3.92 1.43 -0.24 -1.36 118.68 124.95 3a29 s LEU 94 Ca -0.10 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.53 3a29 s LEU 94 Cb -0.14 -1.14 -0.01 0.00 0.03 0.00 0.00 46.19 44.93 3a29 s LEU 94 CO 0.00 -0.01 -0.10 -0.69 0.23 0.00 0.00 176.35 175.78 3a29 s VAL 95 N 1.20 3.14 0.03 -1.59 1.01 0.92 -0.65 120.40 124.47 3a29 s VAL 95 Ca -0.02 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.42 3a29 s VAL 95 Cb -0.14 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 3a29 s VAL 95 CO -0.05 0.48 -0.17 -0.55 0.00 0.00 0.00 175.10 174.81 3a29 s SER 96 N 0.87 1.99 0.60 3.32 0.15 -1.26 0.04 113.70 119.42 3a29 s SER 96 Ca -0.03 -0.44 0.31 0.00 0.70 0.00 0.00 55.95 56.49 3a29 s SER 96 Cb -0.15 -0.16 1.82 0.00 -1.71 0.00 0.00 66.02 65.82 3a29 s SER 96 CO 0.00 0.11 2.19 -0.08 1.20 0.00 0.00 173.24 176.67 3a29 h GLU 97 N 5.08 0.00 0.00 5.44 4.22 -1.77 -1.69 114.58 125.87 3a29 h GLU 97 Ca -0.39 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.05 3a29 h GLU 97 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3a29 h GLU 97 CO 0.45 0.00 -0.14 0.39 -2.18 0.00 0.00 179.01 177.53 3a29 n GLU 98 N -3.70 0.14 -4.74 1.92 -0.58 -1.26 -4.85 120.64 107.58 3a29 n GLU 98 Ca -0.01 0.10 -0.30 0.00 -0.42 0.00 0.00 57.16 56.52 3a29 n GLU 98 Cb 0.19 -1.65 -0.17 0.00 -0.57 0.00 0.00 31.44 29.25 3a29 n GLU 98 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3a29 s ASP 99 N -3.77 2.73 0.25 1.62 1.01 -0.64 -5.03 116.67 112.84 3a29 s ASP 99 Ca 0.11 -0.50 -0.04 0.00 0.71 0.00 0.00 52.55 52.84 3a29 s ASP 99 Cb 0.15 -1.25 0.44 0.00 1.01 0.00 0.00 42.92 43.28 3a29 s ASP 99 CO 0.60 0.07 1.77 0.50 0.21 0.00 0.00 175.17 178.32 3a29 h LYS 100 N 7.15 0.60 -6.31 8.23 3.64 -1.88 -3.43 116.57 124.57 3a29 h LYS 100 Ca -0.28 -0.04 -0.59 0.00 -1.27 0.00 0.00 60.65 58.47 3a29 h LYS 100 Cb 1.20 -0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 32.78 3a29 h LYS 100 CO 0.50 0.40 -0.65 -1.01 -2.27 0.00 0.00 179.45 176.42 3a29 s HIS 101 N -6.01 2.85 0.44 1.91 3.76 -1.26 -4.99 115.29 111.99 3a29 s HIS 101 Ca -0.12 -0.14 -0.24 0.00 -0.15 0.00 0.00 55.06 54.41 3a29 s HIS 101 Cb 0.20 -1.37 -0.08 0.00 1.11 0.00 0.00 32.58 32.44 3a29 s HIS 101 CO 0.77 0.53 1.19 0.00 -0.85 0.00 0.00 174.74 176.38 3a29 s ALA 102 N -1.80 3.04 -0.13 -1.40 0.00 -1.26 -4.84 121.76 115.37 3a29 s ALA 102 Ca 0.28 1.00 -0.17 0.00 0.00 0.00 0.00 51.96 53.07 3a29 s ALA 102 Cb -0.09 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3a29 s ALA 102 CO 0.19 -0.69 0.45 0.42 0.00 0.00 0.00 175.76 176.13 3a29 s ILE 103 N -1.46 5.21 -0.28 0.00 1.09 0.18 -4.92 121.20 121.01 3a29 s ILE 103 Ca 0.62 0.88 -0.10 0.00 -1.10 0.00 0.00 60.65 60.95 3a29 s ILE 103 Cb -0.31 -3.79 -0.04 0.00 -1.06 0.00 0.00 42.46 37.27 3a29 s ILE 103 CO 0.38 0.33 0.16 -0.63 -0.10 0.00 0.00 174.94 175.08 3a29 s ILE 104 N 0.66 4.97 0.29 2.92 -1.09 -1.26 -1.08 121.20 126.60 3a29 s ILE 104 Ca 0.24 -0.03 -0.30 0.00 -2.23 0.00 0.00 60.65 58.34 3a29 s ILE 104 Cb -0.15 -3.39 -0.11 0.00 -1.58 0.00 0.00 42.46 37.23 3a29 s ILE 104 CO 0.09 0.23 1.48 -0.69 -1.23 0.00 0.00 174.94 174.82 3a29 s VAL 105 N 1.70 2.41 0.50 2.92 1.01 -0.51 -4.94 120.40 123.50 3a29 s VAL 105 Ca 0.06 0.35 -0.23 0.00 0.00 0.00 0.00 61.98 62.17 3a29 s VAL 105 Cb -0.16 -3.23 -0.07 0.00 0.00 0.00 0.00 36.38 32.92 3a29 s VAL 105 CO 0.08 0.06 1.27 -1.84 0.00 0.00 0.00 175.10 174.67 3a29 n GLU 106 N 1.92 1.69 -0.33 2.72 0.28 -1.26 -4.73 120.64 120.93 3a29 n GLU 106 Ca 0.06 0.61 0.13 0.00 -0.16 0.00 0.00 57.16 57.80 3a29 n GLU 106 Cb 0.39 -2.44 0.27 0.00 1.43 0.00 0.00 31.44 31.09 3a29 n GLU 106 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 3a29 h PRO 107 N 1.58 0.04 0.00 3.44 0.11 -1.99 -0.93 132.00 134.25 3a29 h PRO 107 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3a29 h PRO 107 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3a29 h PRO 107 CO 0.57 0.03 0.00 0.39 -0.21 0.00 0.00 178.00 178.78 3a29 n GLU 108 N -5.45 0.23 0.00 1.05 1.02 -1.26 -2.63 120.64 113.60 3a29 n GLU 108 Ca 0.21 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 3a29 n GLU 108 Cb 0.70 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 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 -1.28 2.15 -2.23 3.49 5.02 -0.37 -5.05 118.16 119.89 3a29 n LYS 109 Ca 0.08 -1.25 -0.41 0.00 -2.02 0.00 0.00 58.31 54.70 3a29 n LYS 109 Cb 0.13 -0.94 -0.03 0.00 -0.02 0.00 0.00 35.03 34.17 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 -0.76 4.39 0.40 1.97 0.52 -1.08 -4.00 118.95 120.40 3a29 s ARG 110 Ca 0.00 2.04 0.01 0.00 -0.52 0.00 0.00 55.73 57.25 3a29 s ARG 110 Cb 0.00 -3.20 -0.00 0.00 0.52 0.00 0.00 34.95 32.26 3a29 s ARG 110 CO 0.00 -0.25 0.03 0.41 0.02 0.00 0.00 175.30 175.51 3a29 n GLY 111 N 2.41 3.62 0.72 -3.53 0.00 0.24 -4.72 105.19 103.94 3a29 n GLY 111 Ca 0.06 -2.29 0.11 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.98 1.94 -4.01 1.61 2.85 -1.13 -3.29 118.16 115.15 3a29 n LYS 112 Ca -0.15 -1.42 -0.31 0.00 -1.05 0.00 0.00 58.31 55.39 3a29 n LYS 112 Cb 0.52 -1.42 -0.06 0.00 -0.65 0.00 0.00 35.03 33.43 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 -1.71 3.29 -0.12 5.58 2.02 -0.23 0.08 117.35 126.26 3a29 s TYR 113 Ca 0.33 0.13 0.01 0.00 -0.37 0.00 0.00 57.07 57.17 3a29 s TYR 113 Cb 0.19 -1.66 -0.01 0.00 -0.40 0.00 0.00 41.96 40.07 3a29 s TYR 113 CO 0.27 0.54 -0.14 0.08 -1.57 0.00 0.00 175.55 174.73 3a29 s VAL 114 N -1.43 2.96 -0.09 0.71 1.01 0.82 -0.86 120.40 123.52 3a29 s VAL 114 Ca 0.31 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.61 3a29 s VAL 114 Cb -0.12 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.04 3a29 s VAL 114 CO 0.24 0.53 -0.15 -0.69 0.00 0.00 0.00 175.10 175.03 3a29 s VAL 115 N 0.25 1.41 -0.13 2.92 1.01 -0.46 -0.72 120.40 124.69 3a29 s VAL 115 Ca -0.10 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 3a29 s VAL 115 Cb -0.16 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 3a29 s VAL 115 CO 0.06 0.42 -0.12 0.00 0.00 0.00 0.00 175.10 175.45 3a29 s PHE 117 N 0.27 -0.21 -0.31 0.00 -0.71 0.11 -0.54 117.98 116.58 3a29 s PHE 117 Ca -0.09 -0.10 0.01 0.00 -1.04 0.00 0.00 56.93 55.71 3a29 s PHE 117 Cb -0.15 0.36 0.07 0.00 -1.21 0.00 0.00 43.02 42.08 3a29 s PHE 117 CO 0.05 -0.81 -0.01 0.34 -1.34 0.00 0.00 175.22 173.45 3a29 s ASP 118 N -2.83 4.74 0.23 1.98 -1.08 -0.17 -1.88 116.67 117.67 3a29 s ASP 118 Ca 0.05 -1.60 -0.06 0.00 -0.52 0.00 0.00 52.55 50.42 3a29 s ASP 118 Cb 0.00 -1.65 0.40 0.00 -1.46 0.00 0.00 42.92 40.21 3a29 s ASP 118 CO -0.08 -0.29 1.71 -0.65 0.52 0.00 0.00 175.17 176.38 3a29 h PRO 119 N 7.83 0.34 -1.99 4.34 0.11 -1.86 -2.36 132.00 138.40 3a29 h PRO 119 Ca -0.16 -0.02 -0.43 0.00 0.11 0.00 0.00 66.00 65.51 3a29 h PRO 119 Cb 1.04 -0.08 -0.32 0.00 0.11 0.00 0.00 31.00 31.76 3a29 h PRO 119 CO 0.52 0.22 -0.77 -1.17 -0.21 0.00 0.00 178.00 176.59 3a29 s LEU 120 N -10.50 0.30 0.20 2.35 2.96 -1.24 -4.35 118.68 108.40 3a29 s LEU 120 Ca -0.13 -2.18 -0.30 0.00 -0.22 0.00 0.00 54.13 51.30 3a29 s LEU 120 Cb 0.20 0.36 -0.09 0.00 0.50 0.00 0.00 46.19 47.15 3a29 s LEU 120 CO 0.75 -0.20 1.41 -0.62 -1.32 0.00 0.00 176.35 176.38 3a29 s ASP 121 N 0.82 6.75 0.00 3.68 2.15 0.36 -2.64 116.67 127.79 3a29 s ASP 121 Ca 0.25 2.52 0.00 0.00 0.43 0.00 0.00 52.55 55.74 3a29 s ASP 121 Cb -0.07 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 3a29 s ASP 121 CO -0.08 -0.66 0.00 0.61 -0.17 0.00 0.00 175.17 174.87 3a29 n GLY 122 N 2.74 0.62 0.14 2.66 0.00 -1.26 -1.95 105.19 108.14 3a29 n GLY 122 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.65 0.07 1.61 3.41 -1.08 -2.40 113.62 115.89 3a29 n SER 123 Ca 0.00 0.70 0.01 0.00 -0.26 0.00 0.00 58.87 59.32 3a29 n SER 123 Cb 0.00 -0.82 0.33 0.00 -0.26 0.00 0.00 64.21 63.45 3a29 n SER 123 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3a29 h SER 124 N 0.00 0.33 -0.36 4.04 0.02 -1.91 -2.68 113.55 112.98 3a29 h SER 124 Ca 0.00 -0.08 -0.21 0.00 -0.84 0.00 0.00 61.79 60.67 3a29 h SER 124 Cb 0.26 -0.09 -0.13 0.00 0.14 0.00 0.00 62.40 62.59 3a29 h SER 124 CO 0.00 0.49 -0.16 -3.20 -1.14 0.00 0.00 176.83 172.82 3a29 n ASN 125 N -4.23 2.72 0.24 3.07 5.15 -1.01 -4.71 115.26 116.49 3a29 n ASN 125 Ca -0.00 -3.81 0.16 0.00 -0.60 0.00 0.00 54.58 50.32 3a29 n ASN 125 Cb 0.30 -0.61 0.60 0.00 -0.53 0.00 0.00 39.78 39.53 3a29 n ASN 125 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 3a29 h ILE 126 N 1.09 0.00 0.00 -1.44 6.09 -1.46 -3.18 117.51 118.61 3a29 h ILE 126 Ca 0.22 -0.50 0.00 0.00 -1.37 0.00 0.00 64.86 63.21 3a29 h ILE 126 Cb 1.54 1.45 0.00 0.00 0.47 0.00 0.00 36.82 40.28 3a29 h ILE 126 CO 0.41 0.00 0.00 0.44 -3.07 0.00 0.00 178.15 175.93 3a29 h ASP 127 N 0.00 0.00 -0.67 2.19 5.19 -1.84 -1.88 116.42 119.41 3a29 h ASP 127 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3a29 h ASP 127 Cb 0.53 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.04 3a29 h ASP 127 CO 0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 3a29 n LEU 129 N 1.48 -1.56 -4.76 0.00 4.77 -0.71 -4.98 117.00 111.24 3a29 n LEU 129 Ca 0.23 0.19 -0.33 0.00 -0.03 0.00 0.00 56.01 56.07 3a29 n LEU 129 Cb 0.57 -2.52 0.06 0.00 -2.33 0.00 0.00 43.42 39.19 3a29 n LEU 129 CO 0.15 -0.52 0.74 0.54 -1.33 0.00 0.00 177.39 176.97 3a29 s VAL 130 N -2.77 3.15 0.53 4.08 0.11 -1.26 -4.95 120.40 119.29 3a29 s VAL 130 Ca 0.00 0.51 -0.22 0.00 -2.93 0.00 0.00 61.98 59.34 3a29 s VAL 130 Cb 0.00 -3.02 -0.06 0.00 -1.53 0.00 0.00 36.38 31.77 3a29 s VAL 130 CO 0.00 -0.36 1.32 -1.20 -3.33 0.00 0.00 175.10 171.54 3a29 n SER 131 N -2.63 2.56 -4.25 3.54 7.64 -1.26 -4.87 113.62 114.35 3a29 n SER 131 Ca 0.10 0.98 -0.14 0.00 1.01 0.00 0.00 58.87 60.83 3a29 n SER 131 Cb 0.52 -1.56 -0.10 0.00 -1.01 0.00 0.00 64.21 62.06 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 -1.29 0.41 0.32 0.44 -7.23 -1.21 -4.75 120.40 107.10 3a29 s VAL 132 Ca 0.70 -1.98 -0.13 0.00 -1.81 0.00 0.00 61.98 58.77 3a29 s VAL 132 Cb -0.43 -2.39 0.05 0.00 0.56 0.00 0.00 36.38 34.17 3a29 s VAL 132 CO 0.50 -0.19 0.67 0.61 -0.31 0.00 0.00 175.10 176.38 3a29 n GLY 133 N -0.31 1.13 3.09 2.32 0.00 -0.82 -0.09 105.19 110.50 3a29 n GLY 133 Ca -0.02 -1.21 -0.27 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.24 1.43 0.01 2.61 2.01 -0.30 0.13 115.64 119.29 3a29 s THR 134 Ca 0.13 -0.65 0.06 0.00 0.31 0.00 0.00 61.69 61.54 3a29 s THR 134 Cb -0.04 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 3a29 s THR 134 CO 0.10 0.42 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.66 3a29 s ILE 135 N 0.57 2.93 -0.04 1.82 1.01 -0.89 -0.53 121.20 126.07 3a29 s ILE 135 Ca -0.16 -1.02 -0.16 0.00 0.00 0.00 0.00 60.65 59.31 3a29 s ILE 135 Cb -0.16 -2.21 0.03 0.00 0.01 0.00 0.00 42.46 40.13 3a29 s ILE 135 CO 0.05 0.41 0.35 0.72 0.00 0.00 0.00 174.94 176.48 3a29 s PHE 136 N -0.87 -0.26 -0.03 3.97 -0.12 -0.66 -1.00 117.98 119.01 3a29 s PHE 136 Ca 0.14 0.45 0.01 0.00 -0.05 0.00 0.00 56.93 57.48 3a29 s PHE 136 Cb -0.11 0.13 0.02 0.00 -0.63 0.00 0.00 43.02 42.43 3a29 s PHE 136 CO 0.04 -0.38 -0.02 0.20 -0.05 0.00 0.00 175.22 175.01 3a29 s GLY 137 N -1.09 0.27 -0.13 1.99 0.00 0.30 -1.72 107.32 106.94 3a29 s GLY 137 Ca -0.11 0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.66 3a29 s GLY 137 CO 0.04 0.37 -0.18 -0.42 0.00 0.00 0.00 173.10 172.91 3a29 s ILE 138 N 0.71 2.49 0.26 0.90 1.01 0.10 -1.54 121.20 125.14 3a29 s ILE 138 Ca -0.08 -0.85 0.10 0.00 0.00 0.00 0.00 60.65 59.82 3a29 s ILE 138 Cb -0.11 -2.02 -0.05 0.00 0.01 0.00 0.00 42.46 40.30 3a29 s ILE 138 CO -0.01 0.54 -0.17 -0.31 0.00 0.00 0.00 174.94 174.99 3a29 s TYR 139 N 0.53 2.08 -0.17 3.97 1.51 0.10 -0.37 117.35 125.00 3a29 s TYR 139 Ca -0.12 -0.44 -0.08 0.00 -1.01 0.00 0.00 57.07 55.42 3a29 s TYR 139 Cb -0.16 -0.96 -0.04 0.00 -0.11 0.00 0.00 41.96 40.69 3a29 s TYR 139 CO 0.04 0.57 0.11 0.50 -1.11 0.00 0.00 175.55 175.66 3a29 s ARG 140 N -3.57 3.90 0.05 -0.62 3.52 -1.26 -0.12 118.95 120.84 3a29 s ARG 140 Ca 0.28 -0.23 -0.30 0.00 -0.13 0.00 0.00 55.73 55.35 3a29 s ARG 140 Cb -0.03 -3.29 -0.09 0.00 -1.56 0.00 0.00 34.95 29.98 3a29 s ARG 140 CO 0.12 0.44 1.95 1.17 -0.81 0.00 0.00 175.30 178.17 3a29 n LYS 141 N 3.06 2.84 0.04 5.12 4.81 0.11 -4.84 118.16 129.30 3a29 n LYS 141 Ca -0.17 1.04 0.12 0.00 -0.87 0.00 0.00 58.31 58.42 3a29 n LYS 141 Cb 0.53 -2.98 0.09 0.00 0.02 0.00 0.00 35.03 32.68 3a29 n LYS 141 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3a29 n LYS 142 N 7.22 0.30 -2.60 1.64 4.81 -1.26 -4.97 118.16 123.30 3a29 n LYS 142 Ca 0.20 0.04 -0.24 0.00 -0.87 0.00 0.00 58.31 57.44 3a29 n LYS 142 Cb 0.40 -1.64 0.12 0.00 0.02 0.00 0.00 35.03 33.93 3a29 n LYS 142 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3a29 s SER 143 N -4.10 4.16 0.00 3.14 1.04 -1.26 -5.04 113.70 111.63 3a29 s SER 143 Ca 0.05 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.00 3a29 s SER 143 Cb 0.14 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3a29 s SER 143 CO 0.77 -2.01 0.63 0.41 0.98 0.00 0.00 173.24 174.01 3a29 n THR 144 N -2.92 0.29 -2.12 2.02 -1.04 -1.26 -5.06 114.28 104.19 3a29 n THR 144 Ca 0.17 -0.62 -0.03 0.00 -2.04 0.00 0.00 64.05 61.53 3a29 n THR 144 Cb 0.61 0.89 0.02 0.00 -1.82 0.00 0.00 70.33 70.03 3a29 n THR 144 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3a29 n ASP 145 N -0.15 0.16 -4.73 8.00 5.75 -1.26 -5.04 116.55 119.28 3a29 n ASP 145 Ca 0.00 -1.14 -0.41 0.00 -0.01 0.00 0.00 54.79 53.23 3a29 n ASP 145 Cb 0.09 -0.09 -0.03 0.00 -1.03 0.00 0.00 41.12 40.05 3a29 n ASP 145 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3a29 s GLU 146 N -2.84 4.47 0.22 0.11 2.02 -1.26 -4.93 118.70 116.49 3a29 s GLU 146 Ca 0.09 1.90 -0.32 0.00 0.02 0.00 0.00 54.97 56.66 3a29 s GLU 146 Cb -0.00 -3.24 -0.14 0.00 0.10 0.00 0.00 34.13 30.84 3a29 s GLU 146 CO 0.06 -0.14 1.32 -2.30 0.02 0.00 0.00 175.26 174.22 3a29 n PRO 147 N 2.71 1.73 -3.97 0.39 -0.02 -1.26 -4.97 135.00 129.61 3a29 n PRO 147 Ca 0.05 0.62 -0.11 0.00 -2.02 0.00 0.00 63.50 62.04 3a29 n PRO 147 Cb 0.44 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 3a29 n PRO 147 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3a29 s SER 148 N 0.17 0.35 0.57 2.55 1.04 -1.26 -5.01 113.70 112.11 3a29 s SER 148 Ca 0.69 -1.21 0.27 0.00 0.48 0.00 0.00 55.95 56.18 3a29 s SER 148 Cb -0.72 0.71 1.56 0.00 0.10 0.00 0.00 66.02 67.68 3a29 s SER 148 CO 0.51 -1.39 2.08 -0.08 0.98 0.00 0.00 173.24 175.34 3a29 h GLU 149 N 2.10 0.00 0.00 4.02 4.81 -1.93 -1.59 114.58 121.99 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 0.38 0.00 -0.04 0.87 -0.73 0.00 0.00 179.01 179.49 3a29 h LYS 150 N 0.00 0.00 0.00 1.92 1.79 -1.96 -2.01 116.57 116.31 3a29 h LYS 150 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 3a29 h LYS 150 Cb 0.54 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 3a29 h LYS 150 CO -0.00 0.04 0.00 -0.44 -1.08 0.00 0.00 179.45 177.97 3a29 h ASP 151 N 0.00 0.00 0.21 0.86 3.32 -1.68 -2.32 116.42 116.81 3a29 h ASP 151 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a29 h ASP 151 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3a29 h ASP 151 CO 0.00 0.00 -0.47 0.00 -1.72 0.00 0.00 179.24 177.05 3a29 n ALA 152 N -1.80 3.55 -2.10 3.45 0.00 -0.75 -4.53 120.51 118.33 3a29 n ALA 152 Ca 0.03 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.58 3a29 n ALA 152 Cb 0.27 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.84 7.50 -4.42 0.00 4.77 -0.87 -4.92 117.00 118.22 3a29 n LEU 153 Ca 0.09 -4.76 -0.30 0.00 -0.03 0.00 0.00 56.01 51.01 3a29 n LEU 153 Cb 0.37 -1.42 -0.13 0.00 -2.33 0.00 0.00 43.42 39.91 3a29 n LEU 153 CO 0.31 1.77 -0.52 -1.10 -1.33 0.00 0.00 177.39 176.52 3a29 s GLN 154 N -0.32 1.88 0.41 3.23 -0.21 -1.26 -4.68 119.66 118.71 3a29 s GLN 154 Ca 0.49 -1.09 -0.25 0.00 0.02 0.00 0.00 55.36 54.53 3a29 s GLN 154 Cb 0.15 -2.09 -0.08 0.00 1.00 0.00 0.00 33.01 31.99 3a29 s GLN 154 CO -0.05 0.51 1.22 -1.25 -2.12 0.00 0.00 175.29 173.60 3a29 s PRO 155 N -1.55 3.95 0.63 2.91 0.04 -1.26 -4.68 135.00 135.04 3a29 s PRO 155 Ca 0.14 1.95 0.25 0.00 0.04 0.00 0.00 61.00 63.38 3a29 s PRO 155 Cb -0.10 -2.66 1.24 0.00 0.04 0.00 0.00 34.50 33.02 3a29 s PRO 155 CO 0.05 -0.44 1.69 0.78 0.04 0.00 0.00 177.00 179.12 3a29 h GLY 156 N 2.53 0.00 1.99 0.56 0.00 -1.52 0.16 103.07 106.80 3a29 h GLY 156 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 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 -0.12 4.80 9.65 -1.10 -1.82 114.38 125.80 3a29 h ARG 157 Ca 0.14 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 3a29 h ARG 157 Cb 1.33 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.91 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 -2.96 2.26 -4.73 -3.80 5.03 0.58 -4.98 115.26 106.65 3a29 n ASN 158 Ca -0.03 -1.76 -0.42 0.00 0.87 0.00 0.00 54.58 53.24 3a29 n ASN 158 Cb 0.07 -0.07 -0.01 0.00 -1.02 0.00 0.00 39.78 38.75 3a29 n ASN 158 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3a29 n LEU 159 N 0.74 4.09 -0.03 3.41 4.77 -0.69 -4.67 117.00 124.61 3a29 n LEU 159 Ca 0.17 1.18 -0.14 0.00 -0.03 0.00 0.00 56.01 57.19 3a29 n LEU 159 Cb 0.45 -1.55 -0.14 0.00 -2.33 0.00 0.00 43.42 39.85 3a29 n LEU 159 CO 0.15 -0.10 -0.78 0.52 -1.33 0.00 0.00 177.39 175.86 3a29 n VAL 160 N 1.23 1.63 -3.51 4.08 0.31 0.50 -4.95 118.33 117.61 3a29 n VAL 160 Ca 0.06 -0.73 -0.14 0.00 -0.01 0.00 0.00 64.34 63.52 3a29 n VAL 160 Cb 0.36 -1.24 -0.05 0.00 -0.91 0.00 0.00 33.84 32.00 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 -1.17 -4.42 121.76 115.53 3a29 s ALA 161 Ca -0.14 1.20 -0.23 0.00 0.00 0.00 0.00 51.96 52.79 3a29 s ALA 161 Cb 0.07 0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.29 3a29 s ALA 161 CO 0.79 -0.47 0.71 0.00 0.00 0.00 0.00 175.76 176.79 3a29 s ALA 162 N -1.87 -1.45 0.00 0.00 0.00 -0.62 0.03 121.76 117.85 3a29 s ALA 162 Ca -0.05 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.06 3a29 s ALA 162 Cb -0.00 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.93 3a29 s ALA 162 CO 0.02 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.28 3a29 n GLY 163 N -0.41 -0.68 3.62 0.00 0.00 -0.70 0.15 105.19 107.16 3a29 n GLY 163 Ca -0.10 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.14 1.61 1.13 -0.44 -1.66 117.35 114.52 3a29 s TYR 164 Ca 0.00 0.04 0.02 0.00 -1.41 0.00 0.00 57.07 55.73 3a29 s TYR 164 Cb 0.00 0.62 0.01 0.00 -1.10 0.00 0.00 41.96 41.48 3a29 s TYR 164 CO 0.00 -0.92 -0.21 0.00 -2.51 0.00 0.00 175.55 171.91 3a29 s ALA 165 N -3.62 2.28 -0.23 9.51 0.00 0.31 -0.22 121.76 129.79 3a29 s ALA 165 Ca 0.07 -1.07 -0.08 0.00 0.00 0.00 0.00 51.96 50.88 3a29 s ALA 165 Cb -0.03 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 3a29 s ALA 165 CO -0.04 0.02 0.08 -1.17 0.00 0.00 0.00 175.76 174.65 3a29 s LEU 166 N 0.74 3.61 -1.09 0.00 2.96 0.62 -1.15 118.68 124.37 3a29 s LEU 166 Ca -0.09 -0.11 -0.07 0.00 -0.22 0.00 0.00 54.13 53.65 3a29 s LEU 166 Cb -0.16 -1.96 0.28 0.00 0.50 0.00 0.00 46.19 44.86 3a29 s LEU 166 CO -0.00 0.02 1.20 -1.22 -1.32 0.00 0.00 176.35 175.03 3a29 n TYR 167 N 4.56 4.34 0.00 5.38 4.01 0.87 -1.84 117.16 134.49 3a29 n TYR 167 Ca -0.16 -3.55 0.00 0.00 -0.16 0.00 0.00 57.90 54.03 3a29 n TYR 167 Cb 0.52 -1.53 0.00 0.00 -0.31 0.00 0.00 39.34 38.02 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 2.24 2.88 0.36 2.72 0.00 -1.26 -3.31 105.19 108.81 3a29 n GLY 168 Ca 0.25 -1.08 0.15 0.00 0.00 0.00 0.00 46.02 45.34 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 0.21 -5.44 1.61 4.64 -2.00 -3.41 113.55 109.16 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 -0.04 -0.15 0.00 -0.31 0.00 0.00 62.40 61.91 3a29 h SER 169 CO 0.00 0.12 -0.61 0.00 -0.87 0.00 0.00 176.83 175.47 3a29 s ALA 170 N -5.23 0.83 -0.24 5.18 0.00 -1.26 -5.14 121.76 115.90 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 0.97 -0.05 0.00 0.00 0.00 0.00 23.12 24.24 3a29 s ALA 170 CO 0.74 -0.52 0.15 0.99 0.00 0.00 0.00 175.76 177.12 3a29 s THR 171 N -4.06 5.26 0.01 0.00 2.01 -1.26 -4.52 115.64 113.08 3a29 s THR 171 Ca 0.26 0.15 0.04 0.00 0.31 0.00 0.00 61.69 62.45 3a29 s THR 171 Cb 0.07 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 69.11 3a29 s THR 171 CO 0.04 0.34 -0.13 -0.32 -0.69 0.00 0.00 174.62 173.86 3a29 s MET 172 N 1.11 0.96 -0.19 4.92 -2.45 -0.77 -0.47 119.30 122.42 3a29 s MET 172 Ca 0.07 -0.56 -0.02 0.00 -1.25 0.00 0.00 55.69 53.94 3a29 s MET 172 Cb -0.14 -0.94 -0.00 0.00 1.25 0.00 0.00 34.83 35.00 3a29 s MET 172 CO 0.05 0.25 -0.11 -1.17 1.05 0.00 0.00 175.02 175.09 3a29 s LEU 173 N -0.62 2.63 -0.27 4.11 0.20 0.17 -0.28 118.68 124.62 3a29 s LEU 173 Ca 0.03 -0.46 -0.10 0.00 0.69 0.00 0.00 54.13 54.30 3a29 s LEU 173 Cb -0.06 -1.64 -0.04 0.00 -0.43 0.00 0.00 46.19 44.02 3a29 s LEU 173 CO 0.00 0.02 0.15 -0.69 -0.29 0.00 0.00 176.35 175.55 3a29 s VAL 174 N 1.20 5.00 -0.12 1.68 1.01 0.70 -1.04 120.40 128.82 3a29 s VAL 174 Ca 0.02 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.08 3a29 s VAL 174 Cb -0.14 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 3a29 s VAL 174 CO -0.04 0.28 -0.17 -0.22 0.00 0.00 0.00 175.10 174.95 3a29 s LEU 175 N 1.70 2.50 -0.04 3.92 2.96 -0.30 -1.32 118.68 128.09 3a29 s LEU 175 Ca 0.07 -0.41 0.06 0.00 -0.22 0.00 0.00 54.13 53.63 3a29 s LEU 175 Cb -0.16 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 3a29 s LEU 175 CO 0.09 0.16 -0.24 0.00 -1.32 0.00 0.00 176.35 175.03 3a29 s ALA 176 N 0.39 2.04 0.30 5.97 0.00 0.12 -1.29 121.76 129.30 3a29 s ALA 176 Ca -0.13 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.84 3a29 s ALA 176 Cb -0.17 -0.60 -0.00 0.00 0.00 0.00 0.00 23.12 22.35 3a29 s ALA 176 CO 0.06 0.43 0.37 -1.33 0.00 0.00 0.00 175.76 175.29 3a29 n MET 177 N 2.81 0.53 -0.21 0.00 2.81 -0.64 -1.59 117.12 120.84 3a29 n MET 177 Ca -0.17 -2.62 0.15 0.00 -1.81 0.00 0.00 57.70 53.25 3a29 n MET 177 Cb 0.52 2.39 0.47 0.00 -0.71 0.00 0.00 33.22 35.89 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 1.76 0.46 0.00 7.83 3.45 -1.93 -0.53 116.42 127.46 3a29 h ASP 178 Ca -0.23 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.26 3a29 h ASP 178 Cb 1.05 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.76 3a29 h ASP 178 CO 0.32 0.23 0.00 0.00 -1.57 0.00 0.00 179.24 178.21 3a29 n GLY 180 N 0.68 0.26 3.54 0.00 0.00 -0.21 -4.95 105.19 104.52 3a29 n GLY 180 Ca 0.16 -2.29 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.11 3.69 -0.00 1.61 1.01 -1.26 -1.62 120.40 123.71 3a29 s VAL 181 Ca 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.54 3a29 s VAL 181 Cb 0.00 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 3a29 s VAL 181 CO 0.00 0.57 -0.07 0.20 0.00 0.00 0.00 175.10 175.79 3a29 s ASN 182 N -0.43 0.86 -0.13 3.32 -0.87 -0.41 -0.59 114.94 116.69 3a29 s ASN 182 Ca 0.06 -0.14 -0.02 0.00 -1.57 0.00 0.00 52.86 51.19 3a29 s ASN 182 Cb -0.12 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.25 40.99 3a29 s ASN 182 CO 0.02 0.08 -0.06 0.00 -2.57 0.00 0.00 177.10 174.57 3a29 s PHE 184 N 0.09 2.36 -0.19 0.00 0.40 -0.21 -1.40 117.98 119.04 3a29 s PHE 184 Ca -0.02 -0.81 -0.11 0.00 -0.60 0.00 0.00 56.93 55.39 3a29 s PHE 184 Cb -0.14 -1.57 -0.05 0.00 0.51 0.00 0.00 43.02 41.77 3a29 s PHE 184 CO 0.03 -0.29 0.17 1.41 0.70 0.00 0.00 175.22 177.25 3a29 s MET 185 N 0.08 4.19 -0.27 0.44 1.75 0.17 -0.66 119.30 124.99 3a29 s MET 185 Ca -0.10 -0.13 -0.28 0.00 -1.25 0.00 0.00 55.69 53.92 3a29 s MET 185 Cb -0.15 -3.41 0.01 0.00 2.84 0.00 0.00 34.83 34.12 3a29 s MET 185 CO 0.05 0.30 1.03 -1.17 -0.65 0.00 0.00 175.02 174.58 3a29 s LEU 186 N 0.34 4.03 -0.58 4.11 2.96 0.38 0.38 118.68 130.31 3a29 s LEU 186 Ca 0.10 1.18 -0.21 0.00 -0.22 0.00 0.00 54.13 54.98 3a29 s LEU 186 Cb -0.12 -3.49 0.07 0.00 0.50 0.00 0.00 46.19 43.15 3a29 s LEU 186 CO -0.00 -0.75 0.79 -0.62 -1.32 0.00 0.00 176.35 174.45 3a29 s ASP 187 N 1.42 6.22 0.58 3.68 -1.08 0.26 -4.65 116.67 123.10 3a29 s ASP 187 Ca 0.43 -0.98 0.28 0.00 -0.52 0.00 0.00 52.55 51.76 3a29 s ASP 187 Cb -0.14 -2.35 1.55 0.00 -1.46 0.00 0.00 42.92 40.52 3a29 s ASP 187 CO 0.10 -1.15 2.03 -0.65 0.52 0.00 0.00 175.17 176.02 3a29 h PRO 188 N 9.25 0.00 -0.39 4.34 0.11 -1.94 0.13 132.00 143.49 3a29 h PRO 188 Ca -0.28 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 3a29 h PRO 188 Cb 1.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3a29 h PRO 188 CO 1.08 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.83 3a29 h ALA 189 N 1.69 1.21 0.00 -0.75 0.00 -1.96 -3.29 119.26 116.15 3a29 h ALA 189 Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3a29 h ALA 189 Cb 0.74 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3a29 h ALA 189 CO -0.00 0.52 -0.01 0.44 0.00 0.00 0.00 179.25 180.19 3a29 n ILE 190 N -4.23 0.75 -3.86 0.00 -5.35 -0.85 -5.02 119.36 100.80 3a29 n ILE 190 Ca 0.02 -0.77 -0.24 0.00 -0.27 0.00 0.00 62.75 61.49 3a29 n ILE 190 Cb 0.29 0.60 -0.00 0.00 -1.74 0.00 0.00 39.64 38.79 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 -0.40 -0.27 3.00 3.28 0.00 0.38 -4.98 105.19 106.20 3a29 n GLY 191 Ca 0.01 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 3a29 n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a29 s GLU 192 N -6.35 0.81 -0.31 1.61 2.56 -1.17 -4.96 118.70 110.88 3a29 s GLU 192 Ca 0.02 -0.29 -0.23 0.00 0.00 0.00 0.00 54.97 54.47 3a29 s GLU 192 Cb -0.01 -0.77 0.00 0.00 2.00 0.00 0.00 34.13 35.35 3a29 s GLU 192 CO 0.86 0.14 0.77 -0.06 -0.56 0.00 0.00 175.26 176.41 3a29 s PHE 193 N 0.02 3.19 -0.20 5.30 0.08 -1.26 -0.57 117.98 124.53 3a29 s PHE 193 Ca -0.00 0.75 -0.09 0.00 0.12 0.00 0.00 56.93 57.71 3a29 s PHE 193 Cb -0.06 -3.22 -0.05 0.00 -0.57 0.00 0.00 43.02 39.12 3a29 s PHE 193 CO -0.00 -0.58 0.10 0.42 -0.10 0.00 0.00 175.22 175.06 3a29 s ILE 194 N 2.94 5.10 -0.06 0.64 -1.09 0.16 -0.92 121.20 127.96 3a29 s ILE 194 Ca 0.31 0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 58.52 3a29 s ILE 194 Cb -0.14 -3.33 -0.05 0.00 -1.58 0.00 0.00 42.46 37.36 3a29 s ILE 194 CO 0.13 0.43 1.58 -0.22 -1.23 0.00 0.00 174.94 175.64 3a29 s LEU 195 N 0.50 4.30 0.00 2.97 2.96 -0.15 0.42 118.68 129.68 3a29 s LEU 195 Ca 0.06 2.15 0.00 0.00 -0.22 0.00 0.00 54.13 56.12 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 -0.00 -0.89 0.20 1.33 -1.32 0.00 0.00 176.35 175.67 3a29 n VAL 196 N 5.40 0.00 -3.36 1.68 0.24 -0.49 -4.73 118.33 117.07 3a29 n VAL 196 Ca 0.16 -0.41 -0.11 0.00 -2.04 0.00 0.00 64.34 61.94 3a29 n VAL 196 Cb 0.43 1.08 -0.08 0.00 -1.47 0.00 0.00 33.84 33.80 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 -0.44 0.51 0.08 -1.34 1.01 -1.16 -5.01 116.67 110.33 3a29 s ASP 197 Ca 0.00 -0.03 -0.14 0.00 0.71 0.00 0.00 52.55 53.09 3a29 s ASP 197 Cb 0.00 0.99 -0.06 0.00 1.01 0.00 0.00 42.92 44.86 3a29 s ASP 197 CO 0.00 -0.32 0.47 -0.54 0.21 0.00 0.00 175.17 174.99 3a29 s LYS 198 N 2.51 3.93 -1.00 8.23 1.02 -1.26 -1.31 119.74 131.86 3a29 s LYS 198 Ca 0.11 0.41 -0.24 0.00 0.02 0.00 0.00 55.97 56.28 3a29 s LYS 198 Cb -0.15 -3.06 0.03 0.00 -0.52 0.00 0.00 37.83 34.14 3a29 s LYS 198 CO -0.20 0.57 0.58 -3.47 -0.92 0.00 0.00 175.35 171.92 3a29 n ASP 199 N 1.20 -3.77 -4.77 2.83 4.64 -0.93 -4.85 116.55 110.90 3a29 n ASP 199 Ca -0.09 -1.10 -0.41 0.00 -1.38 0.00 0.00 54.79 51.82 3a29 n ASP 199 Cb 0.52 -1.40 -0.02 0.00 -1.04 0.00 0.00 41.12 39.18 3a29 n ASP 199 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3a29 s VAL 200 N -3.50 2.59 -0.04 5.18 1.01 0.25 -4.87 120.40 121.02 3a29 s VAL 200 Ca 0.33 0.59 0.02 0.00 0.00 0.00 0.00 61.98 62.92 3a29 s VAL 200 Cb -0.19 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.84 3a29 s VAL 200 CO 0.85 0.14 -0.07 -0.54 0.00 0.00 0.00 175.10 175.48 3a29 s LYS 201 N -1.89 1.01 0.49 2.72 -0.14 -1.26 -4.46 119.74 116.21 3a29 s LYS 201 Ca 0.50 -0.20 -0.19 0.00 -1.36 0.00 0.00 55.97 54.72 3a29 s LYS 201 Cb -0.41 -0.94 -0.08 0.00 -1.68 0.00 0.00 37.83 34.72 3a29 s LYS 201 CO 0.54 -0.02 1.00 -1.50 -0.76 0.00 0.00 175.35 174.62 3a29 s ILE 202 N 0.69 4.13 0.55 2.17 2.07 0.03 -5.00 121.20 125.84 3a29 s ILE 202 Ca -0.11 1.21 -0.21 0.00 -1.41 0.00 0.00 60.65 60.13 3a29 s ILE 202 Cb -0.13 -3.54 -0.05 0.00 0.13 0.00 0.00 42.46 38.86 3a29 s ILE 202 CO 0.01 -0.40 1.27 1.17 -1.91 0.00 0.00 174.94 175.08 3a29 n LYS 203 N -1.17 1.54 -0.05 3.50 4.81 -1.26 -4.88 118.16 120.65 3a29 n LYS 203 Ca 0.08 0.57 -0.00 0.00 -0.87 0.00 0.00 58.31 58.08 3a29 n LYS 203 Cb 0.53 -2.47 0.28 0.00 0.02 0.00 0.00 35.03 33.39 3a29 n LYS 203 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3a29 h LYS 204 N 1.28 0.64 -3.10 1.64 3.64 -1.94 -3.39 116.57 115.34 3a29 h LYS 204 Ca -0.50 -0.12 -0.17 0.00 -1.27 0.00 0.00 60.65 58.60 3a29 h LYS 204 Cb 1.32 -0.10 -0.27 0.00 -0.41 0.00 0.00 32.23 32.77 3a29 h LYS 204 CO 0.56 0.59 -0.44 0.21 -2.27 0.00 0.00 179.45 178.10 3a29 s LYS 205 N -5.14 0.27 0.08 1.90 2.20 -1.26 -1.57 119.74 116.23 3a29 s LYS 205 Ca -0.08 0.40 0.01 0.00 -0.36 0.00 0.00 55.97 55.93 3a29 s LYS 205 Cb 0.16 0.08 0.01 0.00 -1.51 0.00 0.00 37.83 36.57 3a29 s LYS 205 CO 0.77 -0.07 0.07 0.41 -0.36 0.00 0.00 175.35 176.17 3a29 n GLY 206 N 3.25 2.90 0.13 5.54 0.00 -1.26 -4.75 105.19 111.00 3a29 n GLY 206 Ca -0.16 -2.18 0.02 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.74 0.97 -4.53 1.61 5.02 -1.26 -4.79 118.16 114.43 3a29 n LYS 207 Ca -0.00 -1.20 -0.21 0.00 -2.02 0.00 0.00 58.31 54.87 3a29 n LYS 207 Cb 0.09 -0.79 -0.15 0.00 -0.02 0.00 0.00 35.03 34.16 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 -0.72 0.96 0.06 -0.18 -1.09 -1.26 0.35 121.20 119.32 3a29 s ILE 208 Ca 0.05 -0.49 0.09 0.00 -2.23 0.00 0.00 60.65 58.07 3a29 s ILE 208 Cb 0.05 -0.82 -0.03 0.00 -1.58 0.00 0.00 42.46 40.08 3a29 s ILE 208 CO 0.00 0.28 -0.25 -0.72 -1.23 0.00 0.00 174.94 173.02 3a29 s TYR 209 N -0.09 2.22 -0.04 3.97 -0.85 -0.67 -1.21 117.35 120.67 3a29 s TYR 209 Ca 0.01 -0.40 -0.01 0.00 -0.52 0.00 0.00 57.07 56.15 3a29 s TYR 209 Cb -0.07 -1.30 0.03 0.00 0.38 0.00 0.00 41.96 41.00 3a29 s TYR 209 CO 0.00 0.16 0.03 0.45 -1.52 0.00 0.00 175.55 174.67 3a29 s SER 210 N -1.39 0.96 -0.21 -0.18 0.15 0.85 -2.74 113.70 111.15 3a29 s SER 210 Ca 0.11 0.03 -0.34 0.00 0.70 0.00 0.00 55.95 56.45 3a29 s SER 210 Cb -0.10 -0.20 0.15 0.00 -1.71 0.00 0.00 66.02 64.16 3a29 s SER 210 CO 0.03 -0.20 1.22 -1.48 1.20 0.00 0.00 173.24 174.01 3a29 s LEU 211 N 1.79 -0.14 -0.63 3.45 2.34 -1.26 0.58 118.68 124.81 3a29 s LEU 211 Ca 0.01 0.05 -0.27 0.00 0.06 0.00 0.00 54.13 53.97 3a29 s LEU 211 Cb -0.12 1.37 0.01 0.00 -0.56 0.00 0.00 46.19 46.89 3a29 s LEU 211 CO -0.03 -0.20 1.47 0.21 -1.06 0.00 0.00 176.35 176.73 3a29 s ASN 212 N -1.85 5.95 0.00 1.48 3.84 -1.26 -4.84 114.94 118.26 3a29 s ASN 212 Ca 0.08 0.04 0.23 0.00 0.21 0.00 0.00 52.86 53.42 3a29 s ASN 212 Cb -0.01 -2.55 1.30 0.00 -0.55 0.00 0.00 41.25 39.44 3a29 s ASN 212 CO -0.05 -1.90 1.76 -0.62 -2.79 0.00 0.00 177.10 173.50 3a29 n GLU 213 N 9.03 0.57 0.15 0.43 1.02 -1.26 -2.78 120.64 127.80 3a29 n GLU 213 Ca 0.11 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.40 3a29 n GLU 213 Cb 0.50 -1.50 0.53 0.00 -0.02 0.00 0.00 31.44 30.94 3a29 n GLU 213 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3a29 h GLY 214 N 3.70 0.00 -0.44 0.62 0.00 -2.06 -1.53 103.07 103.35 3a29 h GLY 214 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a29 h GLY 214 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 3a29 n TYR 215 N -2.33 0.06 -0.36 5.60 4.01 -1.12 -4.53 117.16 118.49 3a29 n TYR 215 Ca 0.02 -0.03 0.02 0.00 -0.16 0.00 0.00 57.90 57.75 3a29 n TYR 215 Cb 0.22 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.33 3a29 n TYR 215 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3a29 n ALA 216 N 0.12 0.04 -0.34 -0.72 0.00 -0.58 0.00 120.51 119.04 3a29 n ALA 216 Ca 0.18 1.00 0.22 0.00 0.00 0.00 0.00 53.44 54.84 3a29 n ALA 216 Cb 0.33 -0.52 0.47 0.00 0.00 0.00 0.00 19.45 19.73 3a29 n ALA 216 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3a29 h LYS 217 N 0.00 0.43 -0.15 0.00 3.64 -1.85 -0.58 116.57 118.06 3a29 h LYS 217 Ca 0.39 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3a29 h LYS 217 Cb 0.63 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3a29 h LYS 217 CO -0.96 0.29 0.00 -0.25 -2.27 0.00 0.00 179.45 176.25 3a29 n ASP 218 N -4.72 3.08 -4.68 4.20 9.92 0.10 -5.01 116.55 119.44 3a29 n ASP 218 Ca 0.26 -1.98 -0.39 0.00 -0.53 0.00 0.00 54.79 52.15 3a29 n ASP 218 Cb 0.86 -0.08 0.03 0.00 -0.64 0.00 0.00 41.12 41.28 3a29 n ASP 218 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3a29 n PHE 219 N 1.34 1.78 -2.36 1.24 3.72 -0.23 -2.80 117.46 120.16 3a29 n PHE 219 Ca 0.16 0.47 -0.37 0.00 -0.05 0.00 0.00 57.45 57.66 3a29 n PHE 219 Cb 0.59 -2.30 -0.02 0.00 -0.94 0.00 0.00 39.48 36.81 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 6.39 0.33 4.37 2.15 -1.26 -4.82 116.67 123.00 3a29 s ASP 220 Ca 0.68 2.22 0.10 0.00 0.43 0.00 0.00 52.55 55.97 3a29 s ASP 220 Cb -0.46 -2.60 0.85 0.00 -0.30 0.00 0.00 42.92 40.41 3a29 s ASP 220 CO 0.53 -0.76 1.78 1.55 -0.17 0.00 0.00 175.17 178.10 3a29 h PRO 221 N 2.24 0.63 -0.77 4.34 0.13 -1.97 -0.51 132.00 136.09 3a29 h PRO 221 Ca -0.49 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.55 3a29 h PRO 221 Cb 1.24 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 3a29 h PRO 221 CO 0.61 0.42 0.26 0.00 -0.23 0.00 0.00 178.00 179.06 3a29 h ALA 222 N 1.64 1.01 -0.36 -0.56 0.00 -1.91 -1.19 119.26 117.91 3a29 h ALA 222 Ca 0.57 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 3a29 h ALA 222 Cb 1.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3a29 h ALA 222 CO -0.35 0.67 -0.03 0.28 0.00 0.00 0.00 179.25 179.83 3a29 h VAL 223 N 1.14 1.27 -0.07 0.00 2.07 -1.51 -1.20 116.25 117.94 3a29 h VAL 223 Ca 0.25 -1.04 0.03 0.00 0.82 0.00 0.00 66.70 66.76 3a29 h VAL 223 Cb 0.28 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3a29 h VAL 223 CO -0.01 0.34 -0.11 0.74 0.02 0.00 0.00 177.57 178.55 3a29 h THR 224 N 0.45 0.71 -0.45 2.57 2.02 -0.92 -1.39 112.91 115.90 3a29 h THR 224 Ca 0.10 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 3a29 h THR 224 Cb 0.50 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3a29 h THR 224 CO 0.02 0.00 0.26 -0.08 0.37 0.00 0.00 175.52 176.09 3a29 h GLU 225 N -0.15 0.62 -0.12 6.66 4.81 -1.15 -1.35 114.58 123.90 3a29 h GLU 225 Ca 0.07 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3a29 h GLU 225 Cb 0.24 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3a29 h GLU 225 CO -0.16 0.47 0.04 -0.92 -0.73 0.00 0.00 179.01 177.71 3a29 h TYR 226 N 0.59 0.06 -0.79 0.92 3.20 -0.93 -0.31 116.97 119.72 3a29 h TYR 226 Ca 0.16 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.05 3a29 h TYR 226 Cb 0.02 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 3a29 h TYR 226 CO -0.03 0.03 0.53 0.82 -1.64 0.00 0.00 178.16 177.87 3a29 h ILE 227 N 0.09 1.18 -0.83 1.81 1.08 -1.17 -1.29 117.51 118.39 3a29 h ILE 227 Ca 0.05 -0.36 -0.00 0.00 -0.39 0.00 0.00 64.86 64.16 3a29 h ILE 227 Cb 0.04 0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 33.79 3a29 h ILE 227 CO -0.06 0.19 0.51 -0.61 -0.69 0.00 0.00 178.15 177.49 3a29 h GLN 228 N 1.05 1.11 0.00 2.37 5.75 -0.34 -1.51 115.11 123.54 3a29 h GLN 228 Ca 0.30 -0.09 -0.08 0.00 -0.15 0.00 0.00 58.65 58.63 3a29 h GLN 228 Cb -0.08 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.22 3a29 h GLN 228 CO -0.07 0.77 -0.39 0.00 -2.65 0.00 0.00 178.83 176.48 3a29 h ARG 229 N 1.14 0.00 -0.00 1.69 3.08 0.06 0.13 114.38 120.47 3a29 h ARG 229 Ca 0.30 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.15 3a29 h ARG 229 Cb -0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3a29 h ARG 229 CO -0.06 0.39 -0.86 0.87 -1.07 0.00 0.00 179.97 179.24 3a29 h LYS 230 N 0.00 0.22 0.15 0.04 1.79 -0.68 -2.62 116.57 115.46 3a29 h LYS 230 Ca -0.00 -0.23 -0.34 0.00 -2.18 0.00 0.00 60.65 57.90 3a29 h LYS 230 Cb 0.84 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.56 3a29 h LYS 230 CO 0.05 0.95 -1.71 0.87 -1.08 0.00 0.00 179.45 178.54 3a29 h LYS 231 N 0.12 0.32 -2.57 3.15 1.57 -1.18 -1.81 116.57 116.17 3a29 h LYS 231 Ca -0.04 -0.54 -0.60 0.00 -1.87 0.00 0.00 60.65 57.59 3a29 h LYS 231 Cb 1.48 0.20 -0.41 0.00 0.08 0.00 0.00 32.23 33.58 3a29 h LYS 231 CO 0.13 1.21 -0.68 1.19 -0.57 0.00 0.00 179.45 180.73 3a29 n PHE 232 N -3.51 2.53 -1.71 -1.35 3.01 0.45 -4.73 117.46 112.16 3a29 n PHE 232 Ca -0.22 -4.06 -0.57 0.00 1.01 0.00 0.00 57.45 53.60 3a29 n PHE 232 Cb 1.06 -0.47 -0.07 0.00 -0.01 0.00 0.00 39.48 39.99 3a29 n PHE 232 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3a29 n PRO 233 N 1.61 1.16 -0.15 -1.08 -0.02 -0.99 -4.52 135.00 131.01 3a29 n PRO 233 Ca 0.25 0.43 0.14 0.00 -2.02 0.00 0.00 63.50 62.29 3a29 n PRO 233 Cb 0.41 -2.11 0.49 0.00 -0.02 0.00 0.00 33.50 32.26 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 7.10 0.44 -0.66 0.52 0.11 -1.91 -0.89 132.00 136.70 3a29 h PRO 234 Ca -0.46 -0.03 -0.29 0.00 0.11 0.00 0.00 66.00 65.33 3a29 h PRO 234 Cb 1.32 -0.10 -0.17 0.00 0.11 0.00 0.00 31.00 32.16 3a29 h PRO 234 CO 0.95 0.29 0.26 -0.40 -0.21 0.00 0.00 178.00 178.90 3a29 n ASP 235 N -4.48 3.62 -4.11 -2.05 3.85 -1.26 -4.90 116.55 107.22 3a29 n ASP 235 Ca 0.13 -3.51 -0.34 0.00 -0.71 0.00 0.00 54.79 50.35 3a29 n ASP 235 Cb 0.47 -0.72 -0.01 0.00 -1.35 0.00 0.00 41.12 39.50 3a29 n ASP 235 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3a29 n ASN 236 N -0.84 -3.75 -4.93 -1.12 5.15 -0.34 -4.94 115.26 104.49 3a29 n ASN 236 Ca 0.43 -0.92 -0.25 0.00 -0.60 0.00 0.00 54.58 53.24 3a29 n ASN 236 Cb 1.33 -3.04 0.00 0.00 -0.53 0.00 0.00 39.78 37.54 3a29 n ASN 236 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3a29 s SER 237 N -3.25 6.09 0.34 1.20 0.15 -1.26 -5.02 113.70 111.95 3a29 s SER 237 Ca 0.72 0.60 -0.29 0.00 0.70 0.00 0.00 55.95 57.68 3a29 s SER 237 Cb -0.38 -1.95 -0.11 0.00 -1.71 0.00 0.00 66.02 61.87 3a29 s SER 237 CO 0.88 -0.58 1.52 0.00 1.20 0.00 0.00 173.24 176.27 3a29 s ALA 238 N -2.60 3.64 0.63 5.45 0.00 -1.26 -4.51 121.76 123.12 3a29 s ALA 238 Ca 0.46 1.56 -0.18 0.00 0.00 0.00 0.00 51.96 53.79 3a29 s ALA 238 Cb -0.10 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 3a29 s ALA 238 CO 0.41 -1.00 1.27 -2.14 0.00 0.00 0.00 175.76 174.29 3a29 s PRO 239 N -1.39 2.66 0.54 0.00 0.02 -1.26 -4.94 135.00 130.62 3a29 s PRO 239 Ca 0.57 1.98 -0.19 0.00 0.02 0.00 0.00 61.00 63.38 3a29 s PRO 239 Cb -0.47 -1.87 -0.06 0.00 0.02 0.00 0.00 34.50 32.12 3a29 s PRO 239 CO 0.56 -1.49 1.08 0.71 -0.33 0.00 0.00 177.00 177.53 3a29 s TYR 240 N -1.48 2.84 0.44 6.54 1.51 -0.68 -5.03 117.35 121.50 3a29 s TYR 240 Ca 0.81 1.55 -0.09 0.00 -1.01 0.00 0.00 57.07 58.33 3a29 s TYR 240 Cb -0.35 -3.15 -0.06 0.00 -0.11 0.00 0.00 41.96 38.29 3a29 s TYR 240 CO 0.38 -1.22 0.80 0.20 -1.11 0.00 0.00 175.55 174.59 3a29 s GLY 241 N -2.08 1.80 -0.04 0.71 0.00 0.15 -4.85 107.32 103.03 3a29 s GLY 241 Ca 0.69 -0.27 0.02 0.00 0.00 0.00 0.00 44.72 45.16 3a29 s GLY 241 CO 0.27 -0.08 -0.07 0.00 0.00 0.00 0.00 173.10 173.23 3a29 s ALA 242 N -2.54 3.00 -0.15 3.20 0.00 -1.26 -1.68 121.76 122.34 3a29 s ALA 242 Ca 0.51 -0.94 -0.08 0.00 0.00 0.00 0.00 51.96 51.44 3a29 s ALA 242 Cb -0.10 -1.19 0.05 0.00 0.00 0.00 0.00 23.12 21.88 3a29 s ALA 242 CO 0.37 0.59 0.35 1.03 0.00 0.00 0.00 175.76 178.10 3a29 s ARG 243 N -1.07 0.33 -0.29 0.00 1.81 -1.11 -4.98 118.95 113.65 3a29 s ARG 243 Ca 0.14 0.68 0.01 0.00 -1.72 0.00 0.00 55.73 54.85 3a29 s ARG 243 Cb -0.11 -0.05 0.15 0.00 -0.45 0.00 0.00 34.95 34.49 3a29 s ARG 243 CO 0.04 -0.16 0.37 -0.47 -0.68 0.00 0.00 175.30 174.40 3a29 s TYR 244 N 1.30 -0.81 0.10 -0.53 5.04 -1.26 -4.19 117.35 116.99 3a29 s TYR 244 Ca -0.09 0.20 -0.09 0.00 -2.44 0.00 0.00 57.07 54.65 3a29 s TYR 244 Cb -0.09 -0.24 -0.18 0.00 0.35 0.00 0.00 41.96 41.80 3a29 s TYR 244 CO -0.11 -0.94 1.23 0.28 -1.34 0.00 0.00 175.55 174.67 3a29 h VAL 245 N 6.20 1.34 0.00 3.14 2.07 -1.97 -3.48 116.25 123.55 3a29 h VAL 245 Ca -0.11 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.02 3a29 h VAL 245 Cb 1.11 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 3a29 h VAL 245 CO 0.29 0.72 0.00 0.61 0.02 0.00 0.00 177.57 179.21 3a29 n GLY 246 N 1.07 0.31 3.28 2.17 0.00 -1.26 -5.02 105.19 105.75 3a29 n GLY 246 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 3a29 n GLY 246 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a29 s SER 247 N -2.02 4.56 0.24 1.61 0.01 -1.26 -4.90 113.70 111.93 3a29 s SER 247 Ca 0.00 -0.65 -0.05 0.00 1.31 0.00 0.00 55.95 56.56 3a29 s SER 247 Cb 0.00 -1.76 0.43 0.00 0.21 0.00 0.00 66.02 64.90 3a29 s SER 247 CO 0.00 -0.11 1.74 -0.03 0.41 0.00 0.00 173.24 175.25 3a29 h MET 248 N 8.11 0.44 -0.80 12.44 4.05 -1.93 -0.89 114.93 136.36 3a29 h MET 248 Ca -0.35 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.08 3a29 h MET 248 Cb 1.13 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 31.78 3a29 h MET 248 CO 0.59 0.29 0.50 0.28 0.23 0.00 0.00 176.91 178.81 3a29 h VAL 249 N 0.46 1.08 0.08 -5.77 2.07 -1.94 0.23 116.25 112.46 3a29 h VAL 249 Ca 0.40 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 3a29 h VAL 249 Cb 0.58 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3a29 h VAL 249 CO -0.38 0.17 -0.04 0.00 0.02 0.00 0.00 177.57 177.34 3a29 h ALA 250 N 1.36 -0.11 -0.78 1.67 0.00 -1.58 -1.08 119.26 118.74 3a29 h ALA 250 Ca 0.33 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3a29 h ALA 250 Cb 0.07 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3a29 h ALA 250 CO -0.14 -0.37 0.47 -0.44 0.00 0.00 0.00 179.25 178.78 3a29 h ASP 251 N -0.49 0.94 -0.38 0.00 3.32 -1.01 -1.31 116.42 117.49 3a29 h ASP 251 Ca -0.01 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.85 3a29 h ASP 251 Cb 0.42 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3a29 h ASP 251 CO 0.02 0.72 -0.24 0.58 -1.72 0.00 0.00 179.24 178.60 3a29 h VAL 252 N 1.07 1.27 -0.47 -1.35 2.07 -0.55 -2.09 116.25 116.19 3a29 h VAL 252 Ca 0.28 -1.39 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 3a29 h VAL 252 Cb -0.04 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3a29 h VAL 252 CO -0.05 0.47 0.09 -0.74 0.02 0.00 0.00 177.57 177.36 3a29 h HIS 253 N 0.77 0.83 -0.86 1.57 -0.00 -0.90 -0.94 115.15 115.62 3a29 h HIS 253 Ca 0.10 -0.11 0.02 0.00 -0.00 0.00 0.00 60.37 60.37 3a29 h HIS 253 Cb 0.80 -0.23 -0.05 0.00 -0.00 0.00 0.00 27.41 27.93 3a29 h HIS 253 CO 0.05 0.76 0.56 -0.09 -0.00 0.00 0.00 177.93 179.21 3a29 h ARG 254 N 0.65 1.10 -0.92 5.26 2.43 -1.14 -0.53 114.38 121.23 3a29 h ARG 254 Ca 0.15 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3a29 h ARG 254 Cb 0.37 -0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 3a29 h ARG 254 CO 0.01 0.72 0.51 1.15 -1.51 0.00 0.00 179.97 180.86 3a29 h THR 255 N 1.13 1.26 -0.10 0.20 2.02 -0.89 0.20 112.91 116.73 3a29 h THR 255 Ca 0.32 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 3a29 h THR 255 Cb -0.08 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.33 3a29 h THR 255 CO -0.09 0.29 0.02 0.25 0.37 0.00 0.00 175.52 176.36 3a29 h LEU 256 N 1.28 0.15 -0.12 2.58 5.85 -0.30 0.53 115.31 125.28 3a29 h LEU 256 Ca 0.32 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 3a29 h LEU 256 Cb 0.01 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 3a29 h LEU 256 CO -0.05 0.36 -0.20 0.58 -0.34 0.00 0.00 178.44 178.79 3a29 h VAL 257 N -0.07 1.38 -0.01 1.05 2.07 -0.90 -3.34 116.25 116.43 3a29 h VAL 257 Ca 0.03 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.10 3a29 h VAL 257 Cb 0.27 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3a29 h VAL 257 CO 0.00 0.42 -0.72 -1.22 0.02 0.00 0.00 177.57 176.07 3a29 n TYR 258 N -4.52 0.00 -0.14 1.57 4.01 0.68 -4.90 117.16 113.86 3a29 n TYR 258 Ca -0.07 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.69 3a29 n TYR 258 Cb 0.41 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.43 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 1.46 -1.73 0.00 2.72 0.00 0.19 -4.70 105.19 103.12 3a29 n GLY 259 Ca 0.07 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.12 0.32 3.10 -0.02 0.00 -1.26 -4.57 105.19 100.64 3a29 n GLY 260 Ca -0.00 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.09 0.02 -0.05 -0.61 2.07 -0.35 -0.10 121.20 122.08 3a29 s ILE 261 Ca 0.00 -0.17 0.06 0.00 -1.41 0.00 0.00 60.65 59.13 3a29 s ILE 261 Cb 0.00 -0.34 -0.01 0.00 0.13 0.00 0.00 42.46 42.24 3a29 s ILE 261 CO 0.00 -0.09 -0.24 0.12 -1.91 0.00 0.00 174.94 172.81 3a29 s PHE 262 N -0.28 2.35 0.01 3.50 5.36 0.11 -0.10 117.98 128.92 3a29 s PHE 262 Ca -0.04 -0.68 0.02 0.00 -0.96 0.00 0.00 56.93 55.28 3a29 s PHE 262 Cb -0.03 -1.54 -0.01 0.00 -0.34 0.00 0.00 43.02 41.10 3a29 s PHE 262 CO 0.01 -0.20 -0.07 -0.51 -1.46 0.00 0.00 175.22 173.00 3a29 s LEU 263 N -0.19 2.08 -0.46 6.12 1.02 0.20 -1.34 118.68 126.11 3a29 s LEU 263 Ca -0.02 -0.24 0.06 0.00 0.02 0.00 0.00 54.13 53.95 3a29 s LEU 263 Cb -0.13 -0.27 0.22 0.00 0.02 0.00 0.00 46.19 46.03 3a29 s LEU 263 CO 0.03 -0.00 0.70 0.00 0.02 0.00 0.00 176.35 177.09 3a29 n TYR 264 N 2.50 -2.47 -1.87 0.29 4.19 -0.66 -4.28 117.16 114.87 3a29 n TYR 264 Ca -0.16 -2.28 -0.30 0.00 3.31 0.00 0.00 57.90 58.48 3a29 n TYR 264 Cb 0.57 0.94 0.16 0.00 0.49 0.00 0.00 39.34 41.49 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 0.22 1.01 0.29 2.98 0.04 -1.26 -2.03 135.00 136.25 3a29 s PRO 265 Ca 0.32 -0.20 -0.15 0.00 0.04 0.00 0.00 61.00 61.01 3a29 s PRO 265 Cb 0.14 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.72 3a29 s PRO 265 CO -0.16 -2.20 0.71 0.00 0.04 0.00 0.00 177.00 175.39 3a29 s ALA 266 N -3.73 3.37 0.00 8.56 0.00 -1.26 -4.61 121.76 124.09 3a29 s ALA 266 Ca 0.70 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3a29 s ALA 266 Cb -0.07 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.32 3a29 s ALA 266 CO 0.52 0.35 0.00 0.27 0.00 0.00 0.00 175.76 176.90 3a29 n ASN 267 N -0.11 0.37 -0.07 0.00 0.23 -0.93 -4.31 115.26 110.44 3a29 n ASN 267 Ca 0.02 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.94 3a29 n ASN 267 Cb 0.53 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.21 3a29 n ASN 267 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3a29 h LYS 268 N 0.00 0.82 0.00 -3.83 1.57 -1.86 -3.30 116.57 109.98 3a29 h LYS 268 Ca 0.00 -0.50 -0.11 0.00 -1.87 0.00 0.00 60.65 58.17 3a29 h LYS 268 Cb 0.00 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3a29 h LYS 268 CO 0.00 1.14 -1.48 0.36 -0.57 0.00 0.00 179.45 178.89 3a29 n LYS 269 N -4.01 0.63 -3.50 3.15 -0.00 -1.26 -4.55 118.16 108.62 3a29 n LYS 269 Ca -0.04 0.10 -0.29 0.00 -0.00 0.00 0.00 58.31 58.09 3a29 n LYS 269 Cb 0.61 -1.74 -0.08 0.00 -0.00 0.00 0.00 35.03 33.82 3a29 n LYS 269 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3a29 n SER 270 N -2.70 3.81 0.04 -5.58 7.64 -1.25 -4.91 113.62 110.68 3a29 n SER 270 Ca -0.08 -3.39 0.03 0.00 1.01 0.00 0.00 58.87 56.44 3a29 n SER 270 Cb 0.73 -0.74 0.15 0.00 -1.01 0.00 0.00 64.21 63.35 3a29 n SER 270 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3a29 n PRO 271 N 1.15 0.03 -0.06 1.43 -0.04 -1.24 -1.03 135.00 135.23 3a29 n PRO 271 Ca 0.27 0.51 0.03 0.00 -0.04 0.00 0.00 63.50 64.28 3a29 n PRO 271 Cb 0.39 -1.61 0.06 0.00 -0.04 0.00 0.00 33.50 32.31 3a29 n PRO 271 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3a29 n ASN 272 N -1.68 2.30 0.00 3.54 5.03 -1.26 -4.87 115.26 118.33 3a29 n ASN 272 Ca -0.00 -2.22 0.00 0.00 0.87 0.00 0.00 54.58 53.23 3a29 n ASN 272 Cb 0.02 -0.13 0.00 0.00 -1.02 0.00 0.00 39.78 38.65 3a29 n ASN 272 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3a29 n GLY 273 N -0.48 -2.18 0.00 7.41 0.00 -0.20 -0.99 105.19 108.75 3a29 n GLY 273 Ca 0.06 -1.59 -0.00 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 -0.19 1.59 -2.03 1.61 0.00 -1.26 -4.68 118.16 113.20 3a29 n LYS 274 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 58.31 57.98 3a29 n LYS 274 Cb 0.00 -1.02 0.01 0.00 0.00 0.00 0.00 35.03 34.03 3a29 n LYS 274 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3a29 s LEU 275 N -4.64 3.51 0.05 3.14 1.43 -1.26 -4.83 118.68 116.08 3a29 s LEU 275 Ca -0.01 1.87 -0.24 0.00 -1.03 0.00 0.00 54.13 54.73 3a29 s LEU 275 Cb 0.00 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.62 3a29 s LEU 275 CO 0.02 -1.23 0.72 -0.13 0.23 0.00 0.00 176.35 175.96 3a29 s ARG 276 N -4.00 4.45 0.03 1.70 3.00 -1.26 -1.07 118.95 121.80 3a29 s ARG 276 Ca 0.65 0.99 -0.25 0.00 0.00 0.00 0.00 55.73 57.11 3a29 s ARG 276 Cb -0.17 -3.34 -0.17 0.00 0.00 0.00 0.00 34.95 31.27 3a29 s ARG 276 CO 0.36 0.37 1.39 1.25 0.00 0.00 0.00 175.30 178.67 3a29 h LEU 277 N 5.39 -0.23 -0.37 2.53 5.85 -1.50 -0.21 115.31 126.77 3a29 h LEU 277 Ca -0.45 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.07 3a29 h LEU 277 Cb 1.20 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 3a29 h LEU 277 CO 0.69 0.06 0.16 -0.07 -0.34 0.00 0.00 178.44 178.94 3a29 h LEU 278 N -0.54 0.50 -2.65 2.25 4.07 -1.80 0.39 115.31 117.54 3a29 h LEU 278 Ca -0.03 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.78 3a29 h LEU 278 Cb 0.40 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.01 3a29 h LEU 278 CO 0.05 0.52 0.00 0.00 -1.08 0.00 0.00 178.44 177.93 3a29 n TYR 279 N -4.69 0.31 0.07 1.13 0.18 -1.26 -4.44 117.16 108.47 3a29 n TYR 279 Ca -0.01 -0.42 0.00 0.00 1.88 0.00 0.00 57.90 59.36 3a29 n TYR 279 Cb 0.13 -0.03 0.00 0.00 -0.38 0.00 0.00 39.34 39.07 3a29 n TYR 279 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 3a29 n GLU 280 N 0.35 0.00 0.19 -3.48 1.02 -1.00 -4.23 120.64 113.48 3a29 n GLU 280 Ca 0.09 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.09 3a29 n GLU 280 Cb 0.36 -0.26 -0.08 0.00 -0.02 0.00 0.00 31.44 31.45 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 -0.81 -0.89 -0.59 0.00 -0.26 -1.15 0.74 115.58 112.63 3a29 h ASN 282 Ca -0.05 0.10 0.11 0.00 -0.56 0.00 0.00 56.30 55.91 3a29 h ASN 282 Cb 0.53 0.34 -0.09 0.00 -1.06 0.00 0.00 38.32 38.03 3a29 h ASN 282 CO 0.08 -0.40 0.09 -0.65 -1.06 0.00 0.00 177.43 175.49 3a29 h PRO 283 N -0.54 0.21 -0.21 0.81 0.11 -1.78 0.46 132.00 131.06 3a29 h PRO 283 Ca 0.03 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.03 3a29 h PRO 283 Cb 0.56 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 3a29 h PRO 283 CO -0.18 0.14 -0.30 0.52 -0.21 0.00 0.00 178.00 177.98 3a29 h MET 284 N 0.22 0.43 -0.58 1.05 2.86 -1.38 -1.87 114.93 115.66 3a29 h MET 284 Ca 0.31 -0.17 -0.10 0.00 -2.06 0.00 0.00 59.70 57.68 3a29 h MET 284 Cb 0.47 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 3a29 h MET 284 CO -0.43 0.68 -0.02 0.00 1.06 0.00 0.00 176.91 178.21 3a29 h ALA 285 N 1.31 0.78 -0.35 6.32 0.00 0.29 -1.00 119.26 126.62 3a29 h ALA 285 Ca 0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3a29 h ALA 285 Cb 0.71 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3a29 h ALA 285 CO 0.05 0.63 0.12 -0.92 0.00 0.00 0.00 179.25 179.14 3a29 h TYR 286 N 0.92 0.56 0.08 0.00 3.20 -0.65 -0.03 116.97 121.04 3a29 h TYR 286 Ca 0.16 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.99 3a29 h TYR 286 Cb 0.58 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 3a29 h TYR 286 CO 0.04 0.53 -0.13 0.28 -1.64 0.00 0.00 178.16 177.25 3a29 h VAL 287 N 0.42 0.70 -0.01 1.81 2.07 -1.18 -1.08 116.25 118.99 3a29 h VAL 287 Ca 0.12 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 3a29 h VAL 287 Cb 0.23 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3a29 h VAL 287 CO -0.01 0.00 -0.17 0.24 0.02 0.00 0.00 177.57 177.65 3a29 h MET 288 N -0.26 -0.27 -0.64 1.57 2.86 -0.97 -1.69 114.93 115.54 3a29 h MET 288 Ca 0.02 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 3a29 h MET 288 Cb 0.27 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 3a29 h MET 288 CO -0.07 -0.18 0.25 0.93 1.06 0.00 0.00 176.91 178.90 3a29 h GLU 289 N -0.28 0.94 0.00 1.72 5.08 -0.88 0.50 114.58 121.66 3a29 h GLU 289 Ca 0.06 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3a29 h GLU 289 Cb 0.35 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3a29 h GLU 289 CO -0.17 0.77 0.00 0.87 -1.00 0.00 0.00 179.01 179.48 3a29 h LYS 290 N 0.92 0.00 -0.45 2.33 1.79 -0.85 -1.77 116.57 118.54 3a29 h LYS 290 Ca 0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 3a29 h LYS 290 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 3a29 h LYS 290 CO -0.02 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.35 3a29 n ALA 291 N -1.83 2.41 -0.56 3.86 0.00 -0.53 -4.27 120.51 119.59 3a29 n ALA 291 Ca 0.02 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.41 3a29 n ALA 291 Cb 0.24 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 1.51 0.71 0.00 0.00 0.00 -0.66 -0.79 105.19 105.96 3a29 n GLY 292 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.56 2.06 3.19 -0.02 0.00 0.16 -4.46 105.19 103.56 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 -1.64 0.89 -0.21 1.61 1.00 -0.60 -3.82 119.30 116.53 3a29 s MET 294 Ca 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 55.69 54.30 3a29 s MET 294 Cb 0.00 -0.34 0.10 0.00 0.00 0.00 0.00 34.83 34.60 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 -3.44 -0.81 0.15 3.03 0.00 -1.26 -1.53 121.76 117.90 3a29 s ALA 295 Ca 0.12 0.85 0.05 0.00 0.00 0.00 0.00 51.96 52.99 3a29 s ALA 295 Cb 0.04 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 3a29 s ALA 295 CO -0.03 -1.06 -0.12 -0.08 0.00 0.00 0.00 175.76 174.48 3a29 s THR 296 N 2.48 1.30 -1.32 0.00 -1.32 0.23 -1.59 115.64 115.42 3a29 s THR 296 Ca 0.07 -2.01 0.23 0.00 -1.21 0.00 0.00 61.69 58.77 3a29 s THR 296 Cb -0.14 -1.80 -0.06 0.00 -1.51 0.00 0.00 72.50 68.99 3a29 s THR 296 CO -0.13 -0.65 1.16 0.35 -2.21 0.00 0.00 174.62 173.14 3a29 n THR 297 N -0.06 0.00 0.00 5.08 -2.24 0.26 -0.28 114.28 117.04 3a29 n THR 297 Ca -0.11 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3a29 n THR 297 Cb 0.60 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 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 3.12 0.07 3.38 0.00 -1.26 -4.74 105.19 107.22 3a29 n GLY 298 Ca 0.07 -1.00 0.05 0.00 0.00 0.00 0.00 46.02 45.13 3a29 n GLY 298 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a29 n LYS 299 N 0.00 0.65 -3.71 1.61 5.02 -1.26 -4.97 118.16 115.49 3a29 n LYS 299 Ca 0.00 -0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 3a29 n LYS 299 Cb 0.00 -1.65 -0.02 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 -0.52 0.00 0.00 177.40 175.05 3a29 s GLU 300 N -3.17 1.26 0.21 1.97 -1.05 -1.26 -5.13 118.70 111.54 3a29 s GLU 300 Ca -0.06 -0.66 -0.30 0.00 -0.15 0.00 0.00 54.97 53.80 3a29 s GLU 300 Cb 0.10 0.46 -0.10 0.00 -0.44 0.00 0.00 34.13 34.16 3a29 s GLU 300 CO 0.85 -0.57 1.44 0.00 0.95 0.00 0.00 175.26 177.93 3a29 s ALA 301 N -3.42 3.64 0.25 -0.84 0.00 -1.26 -0.57 121.76 119.55 3a29 s ALA 301 Ca 0.10 1.29 -0.04 0.00 0.00 0.00 0.00 51.96 53.30 3a29 s ALA 301 Cb -0.02 -3.56 0.47 0.00 0.00 0.00 0.00 23.12 20.02 3a29 s ALA 301 CO 0.00 -0.71 1.70 0.28 0.00 0.00 0.00 175.76 177.03 3a29 h VAL 302 N 3.73 0.55 0.00 0.00 2.07 -1.60 0.50 116.25 121.50 3a29 h VAL 302 Ca -0.45 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3a29 h VAL 302 Cb 1.21 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3a29 h VAL 302 CO 0.81 0.06 0.00 0.18 0.02 0.00 0.00 177.57 178.64 3a29 n LEU 303 N -5.11 0.47 0.04 2.57 4.77 -1.26 -2.14 117.00 116.34 3a29 n LEU 303 Ca 0.15 0.67 0.11 0.00 -0.03 0.00 0.00 56.01 56.91 3a29 n LEU 303 Cb 0.46 -0.68 0.04 0.00 -2.33 0.00 0.00 43.42 40.91 3a29 n LEU 303 CO 0.14 -0.71 0.04 0.47 -1.33 0.00 0.00 177.39 176.00 3a29 n ASP 304 N -2.09 0.63 -4.70 -1.43 8.00 0.16 -0.46 116.55 116.66 3a29 n ASP 304 Ca 0.00 -0.07 -0.42 0.00 0.71 0.00 0.00 54.79 55.01 3a29 n ASP 304 Cb 0.10 0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 41.86 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 2.62 -0.39 2.53 1.01 -0.91 -4.93 120.40 117.11 3a29 s VAL 305 Ca 0.03 0.27 -0.20 0.00 0.00 0.00 0.00 61.98 62.08 3a29 s VAL 305 Cb 0.14 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.35 3a29 s VAL 305 CO 0.79 0.01 0.60 -0.63 0.00 0.00 0.00 175.10 175.87 3a29 s ILE 306 N 2.07 4.91 0.51 2.22 1.01 -1.26 -4.34 121.20 126.31 3a29 s ILE 306 Ca 0.75 0.31 -0.19 0.00 0.00 0.00 0.00 60.65 61.52 3a29 s ILE 306 Cb -0.44 -4.10 -0.08 0.00 0.01 0.00 0.00 42.46 37.86 3a29 s ILE 306 CO 0.33 -0.40 1.05 -2.16 0.00 0.00 0.00 174.94 173.76 3a29 s PRO 307 N 2.65 3.69 0.00 2.79 0.04 -1.26 -4.96 135.00 137.95 3a29 s PRO 307 Ca 0.22 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.61 3a29 s PRO 307 Cb -0.15 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3a29 s PRO 307 CO 0.16 -0.52 0.00 0.25 0.04 0.00 0.00 177.00 176.93 3a29 n THR 308 N -1.16 0.00 -3.84 1.26 -2.24 -1.26 -4.81 114.28 102.24 3a29 n THR 308 Ca 0.09 -0.16 -0.19 0.00 -2.27 0.00 0.00 64.05 61.52 3a29 n THR 308 Cb 0.52 0.65 -0.17 0.00 -2.10 0.00 0.00 70.33 69.23 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 -1.42 0.78 0.64 3.42 3.68 -1.26 -5.04 116.67 117.48 3a29 s ASP 309 Ca 0.00 -0.01 0.31 0.00 2.13 0.00 0.00 52.55 54.98 3a29 s ASP 309 Cb 0.00 -0.24 1.70 0.00 -1.45 0.00 0.00 42.92 42.93 3a29 s ASP 309 CO 0.00 -0.15 1.99 0.16 0.13 0.00 0.00 175.17 177.30 3a29 h ILE 310 N 6.30 0.12 -0.21 4.11 3.07 -1.94 -0.47 117.51 128.49 3a29 h ILE 310 Ca -0.32 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.09 3a29 h ILE 310 Cb 1.13 0.72 0.00 0.00 -0.27 0.00 0.00 36.82 38.39 3a29 h ILE 310 CO 0.36 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.87 3a29 n HIS 311 N -3.15 0.52 -1.95 0.16 8.25 -1.26 -4.49 115.22 113.29 3a29 n HIS 311 Ca -0.00 -0.73 -0.36 0.00 -0.26 0.00 0.00 57.72 56.36 3a29 n HIS 311 Cb 0.38 -0.17 0.04 0.00 1.12 0.00 0.00 29.99 31.37 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 -2.04 2.97 0.48 -0.41 -2.07 -0.19 -4.81 119.66 113.60 3a29 s GLN 312 Ca 0.29 1.92 -0.02 0.00 -1.82 0.00 0.00 55.36 55.72 3a29 s GLN 312 Cb 0.22 -1.98 -0.01 0.00 -1.09 0.00 0.00 33.01 30.15 3a29 s GLN 312 CO 0.09 -1.23 0.74 1.03 -1.32 0.00 0.00 175.29 174.60 3a29 s ARG 313 N -3.24 3.14 -0.21 9.60 0.52 -1.26 -1.41 118.95 126.09 3a29 s ARG 313 Ca 0.77 -0.23 -0.17 0.00 -0.52 0.00 0.00 55.73 55.58 3a29 s ARG 313 Cb -0.33 -2.46 0.06 0.00 0.52 0.00 0.00 34.95 32.74 3a29 s ARG 313 CO 0.36 -0.34 0.53 0.00 0.02 0.00 0.00 175.30 175.88 3a29 s ALA 314 N -2.68 -1.35 0.70 2.13 0.00 -0.16 -4.67 121.76 115.74 3a29 s ALA 314 Ca 0.49 1.64 -0.11 0.00 0.00 0.00 0.00 51.96 53.98 3a29 s ALA 314 Cb -0.10 -0.96 0.01 0.00 0.00 0.00 0.00 23.12 22.07 3a29 s ALA 314 CO 0.41 -0.27 1.06 -2.14 0.00 0.00 0.00 175.76 174.82 3a29 s PRO 315 N 0.67 2.87 -0.22 0.00 0.02 -1.09 -4.15 135.00 133.10 3a29 s PRO 315 Ca -0.03 0.99 -0.12 0.00 0.02 0.00 0.00 61.00 61.86 3a29 s PRO 315 Cb -0.05 -1.98 0.07 0.00 0.02 0.00 0.00 34.50 32.56 3a29 s PRO 315 CO -0.04 -1.16 0.54 0.54 -0.33 0.00 0.00 177.00 176.55 3a29 s VAL 316 N -3.00 -0.01 -0.16 3.83 0.11 -0.86 -4.31 120.40 115.99 3a29 s VAL 316 Ca 0.59 0.05 -0.00 0.00 -2.93 0.00 0.00 61.98 59.68 3a29 s VAL 316 Cb -0.14 -0.78 0.04 0.00 -1.53 0.00 0.00 36.38 33.96 3a29 s VAL 316 CO 0.54 0.02 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.64 3a29 s ILE 317 N 1.48 1.21 0.22 7.04 1.09 0.61 -1.65 121.20 131.20 3a29 s ILE 317 Ca -0.10 -0.64 0.00 0.00 -1.10 0.00 0.00 60.65 58.82 3a29 s ILE 317 Cb -0.07 -1.33 -0.05 0.00 -1.06 0.00 0.00 42.46 39.96 3a29 s ILE 317 CO -0.16 0.19 0.10 -1.48 -0.10 0.00 0.00 174.94 173.49 3a29 s LEU 318 N 1.60 1.47 0.00 2.97 0.05 -0.45 -0.60 118.68 123.72 3a29 s LEU 318 Ca 0.01 -1.36 0.00 0.00 0.05 0.00 0.00 54.13 52.83 3a29 s LEU 318 Cb -0.15 0.19 0.00 0.00 -2.05 0.00 0.00 46.19 44.18 3a29 s LEU 318 CO -0.08 -0.77 0.00 0.61 -0.55 0.00 0.00 176.35 175.56 3a29 n GLY 319 N -0.34 0.66 3.70 -3.48 0.00 -0.58 -0.71 105.19 104.43 3a29 n GLY 319 Ca 0.00 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 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 3.03 -0.09 1.61 7.64 0.86 -1.56 113.62 125.10 3a29 n SER 320 Ca 0.00 1.17 -0.06 0.00 1.01 0.00 0.00 58.87 60.99 3a29 n SER 320 Cb 0.00 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 61.71 3a29 n SER 320 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3a29 h PRO 321 N 3.69 -0.06 -0.73 1.43 0.13 -1.75 -0.85 132.00 133.85 3a29 h PRO 321 Ca -0.46 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.72 3a29 h PRO 321 Cb 1.27 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 3a29 h PRO 321 CO 0.71 -0.04 0.48 -0.44 -0.23 0.00 0.00 178.00 178.48 3a29 h ASP 322 N -0.07 0.72 -0.22 1.44 5.19 -1.63 0.13 116.42 121.98 3a29 h ASP 322 Ca 0.16 -0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.46 3a29 h ASP 322 Cb 0.31 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.66 3a29 h ASP 322 CO -0.37 0.48 -0.28 0.44 -3.12 0.00 0.00 179.24 176.39 3a29 h ASP 323 N 0.83 0.63 -0.34 6.45 3.45 -1.55 -1.75 116.42 124.13 3a29 h ASP 323 Ca 0.30 -0.50 -0.12 0.00 0.43 0.00 0.00 57.03 57.14 3a29 h ASP 323 Cb 0.16 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 3a29 h ASP 323 CO -0.10 1.00 -0.27 0.58 -1.57 0.00 0.00 179.24 178.89 3a29 h VAL 324 N 0.27 1.29 -0.74 -1.35 2.07 -0.70 -1.72 116.25 115.37 3a29 h VAL 324 Ca 0.03 -1.43 0.05 0.00 0.82 0.00 0.00 66.70 66.17 3a29 h VAL 324 Cb 0.85 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 3a29 h VAL 324 CO 0.07 0.47 0.45 -0.07 0.02 0.00 0.00 177.57 178.50 3a29 h LEU 325 N 0.57 0.72 -0.72 2.57 -0.00 -0.78 0.58 115.31 118.24 3a29 h LEU 325 Ca 0.06 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.95 3a29 h LEU 325 Cb 0.84 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 41.32 3a29 h LEU 325 CO 0.07 0.48 0.43 -0.08 -0.00 0.00 0.00 178.44 179.34 3a29 h GLU 326 N 0.85 0.99 -0.34 1.13 4.81 -1.10 -0.29 114.58 120.63 3a29 h GLU 326 Ca 0.31 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3a29 h GLU 326 Cb 0.10 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3a29 h GLU 326 CO -0.14 0.70 0.20 0.35 -0.73 0.00 0.00 179.01 179.39 3a29 h PHE 327 N 0.99 0.45 -0.08 0.92 3.57 -0.30 -1.99 116.94 120.51 3a29 h PHE 327 Ca 0.26 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.77 3a29 h PHE 327 Cb -0.02 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 3a29 h PHE 327 CO -0.01 0.33 0.05 -0.07 -2.23 0.00 0.00 178.31 176.39 3a29 h LEU 328 N 0.44 0.03 -0.18 0.59 3.38 -0.18 0.16 115.31 119.55 3a29 h LEU 328 Ca 0.12 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3a29 h LEU 328 Cb 0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3a29 h LEU 328 CO -0.02 0.02 -0.01 0.50 0.09 0.00 0.00 178.44 179.02 3a29 h LYS 329 N 0.03 0.32 -0.30 1.13 3.64 -0.34 -0.13 116.57 120.93 3a29 h LYS 329 Ca 0.03 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 3a29 h LYS 329 Cb 0.10 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3a29 h LYS 329 CO -0.00 0.54 0.09 0.28 -2.27 0.00 0.00 179.45 178.09 3a29 h VAL 330 N 0.07 1.21 -0.48 2.00 2.07 -0.88 -1.76 116.25 118.48 3a29 h VAL 330 Ca 0.05 -0.67 0.08 0.00 0.82 0.00 0.00 66.70 66.98 3a29 h VAL 330 Cb 0.40 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 3a29 h VAL 330 CO 0.01 0.22 0.10 0.22 0.02 0.00 0.00 177.57 178.15 3a29 h TYR 331 N 0.33 0.17 -0.59 1.57 3.20 -0.57 -1.09 116.97 119.99 3a29 h TYR 331 Ca 0.10 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 3a29 h TYR 331 Cb 0.25 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 3a29 h TYR 331 CO 0.01 0.01 0.19 0.93 -1.64 0.00 0.00 178.16 177.65 3a29 h GLU 332 N 0.24 0.88 0.00 1.82 5.08 -0.79 -1.47 114.58 120.34 3a29 h GLU 332 Ca 0.24 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3a29 h GLU 332 Cb 0.31 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3a29 h GLU 332 CO -0.31 0.76 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.24 3a29 h LYS 333 N 0.86 0.00 -0.46 2.33 3.64 -0.29 -0.28 116.57 122.36 3a29 h LYS 333 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3a29 h LYS 333 Cb 0.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3a29 h LYS 333 CO -0.01 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.89 3a29 n HIS 334 N -3.51 1.61 -0.24 1.91 8.25 -0.56 -5.11 115.22 117.57 3a29 n HIS 334 Ca -0.03 -0.78 0.00 0.00 -0.26 0.00 0.00 57.72 56.65 3a29 n HIS 334 Cb 0.08 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 30.77 3a29 n HIS 334 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41