#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4n s LEU 69 N 0.00 3.24 0.00 3.22 1.43 -1.26 -4.72 118.68 120.58 3i4n s LEU 69 Ca 0.00 -0.26 0.27 0.00 -1.03 0.00 0.00 54.13 53.11 3i4n s LEU 69 Cb 0.00 -2.55 1.30 0.00 0.03 0.00 0.00 46.19 44.97 3i4n s LEU 69 CO 0.00 -2.48 1.91 0.29 0.23 0.00 0.00 176.35 176.30 3i4n n LYS 70 N 9.03 0.25 0.00 1.70 5.02 -1.26 -4.05 118.16 128.86 3i4n n LYS 70 Ca 0.29 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 3i4n n LYS 70 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 3i4n n LYS 70 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i4n n GLU 71 N -1.36 0.00 0.00 1.97 4.71 -1.26 -4.85 120.64 119.85 3i4n n GLU 71 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 3i4n n GLU 71 Cb 0.25 -1.45 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 3i4n n GLU 71 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3i4n n LYS 72 N 1.74 0.00 -1.11 3.49 4.01 -1.26 -4.82 118.16 120.21 3i4n n LYS 72 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3i4n n LYS 72 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 3i4n n LYS 72 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i4n n ALA 73 N 0.59 0.00 -1.43 7.82 0.00 -1.26 -4.70 120.51 121.53 3i4n n ALA 73 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3i4n n ALA 73 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 3i4n n ALA 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i4n s ILE 74 N -0.41 3.19 0.23 0.00 1.01 0.32 -4.89 121.20 120.66 3i4n s ILE 74 Ca 0.00 0.51 -0.10 0.00 0.00 0.00 0.00 60.65 61.06 3i4n s ILE 74 Cb 0.00 -3.02 -0.07 0.00 0.01 0.00 0.00 42.46 39.38 3i4n s ILE 74 CO 0.00 -0.38 0.57 -2.16 0.00 0.00 0.00 174.94 172.96 3i4n s PRO 75 N -4.29 3.83 0.24 2.79 0.04 -1.26 -4.74 135.00 131.62 3i4n s PRO 75 Ca 0.66 0.33 0.12 0.00 0.04 0.00 0.00 61.00 62.15 3i4n s PRO 75 Cb -0.20 -2.64 0.64 0.00 0.04 0.00 0.00 34.50 32.34 3i4n s PRO 75 CO 0.45 0.31 1.27 1.63 0.04 0.00 0.00 177.00 180.71 3i4n n LYS 76 N -0.11 0.08 -3.53 4.56 5.02 -1.26 -3.85 118.16 119.07 3i4n n LYS 76 Ca 0.00 0.53 -0.35 0.00 -2.02 0.00 0.00 58.31 56.48 3i4n n LYS 76 Cb 0.52 -1.95 -0.05 0.00 -0.02 0.00 0.00 35.03 33.53 3i4n n LYS 76 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i4n s ASP 77 N -3.39 6.67 -0.31 4.39 -1.08 -1.26 -3.53 116.67 118.16 3i4n s ASP 77 Ca -0.01 0.84 0.00 0.00 -0.52 0.00 0.00 52.55 52.85 3i4n s ASP 77 Cb 0.03 -2.20 0.00 0.00 -1.46 0.00 0.00 42.92 39.30 3i4n s ASP 77 CO 0.11 0.15 0.00 0.00 0.52 0.00 0.00 175.17 175.94 3i4n n GLN 78 N 0.81 -0.37 -1.67 4.34 6.02 -1.26 -4.93 117.38 120.32 3i4n n GLN 78 Ca -0.07 0.46 -0.50 0.00 -0.01 0.00 0.00 57.00 56.88 3i4n n GLN 78 Cb 0.52 -4.03 -0.05 0.00 1.02 0.00 0.00 30.24 27.70 3i4n n GLN 78 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3i4n n ARG 79 N -2.58 1.88 -0.08 -1.09 3.00 -1.23 -4.90 116.66 111.66 3i4n n ARG 79 Ca -0.03 0.69 -0.08 0.00 -0.00 0.00 0.00 57.85 58.42 3i4n n ARG 79 Cb 0.14 -2.46 -0.03 0.00 0.00 0.00 0.00 32.46 30.11 3i4n n ARG 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i4n n ALA 80 N 5.14 0.64 -1.00 5.13 0.00 -1.26 -5.05 120.51 124.12 3i4n n ALA 80 Ca 0.21 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3i4n n ALA 80 Cb 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.68 3i4n n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i4n n THR 81 N -4.54 0.00 -2.90 0.00 -2.24 -1.26 -4.94 114.28 98.40 3i4n n THR 81 Ca -0.13 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.25 3i4n n THR 81 Cb 0.41 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.58 3i4n n THR 81 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3i4n s THR 82 N -0.06 4.37 0.22 4.28 2.01 -1.26 -4.96 115.64 120.24 3i4n s THR 82 Ca 0.00 1.82 0.31 0.00 0.31 0.00 0.00 61.69 64.13 3i4n s THR 82 Cb 0.00 -4.20 0.34 0.00 0.01 0.00 0.00 72.50 68.66 3i4n s THR 82 CO 0.00 0.47 2.00 -0.65 -0.69 0.00 0.00 174.62 175.75 3i4n h PRO 83 N 4.63 0.00 -6.60 4.92 0.11 -2.01 -3.45 132.00 129.61 3i4n h PRO 83 Ca -0.46 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.20 3i4n h PRO 83 Cb 1.21 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.35 3i4n h PRO 83 CO 0.68 0.08 -0.15 0.71 -0.21 0.00 0.00 178.00 179.10 3i4n s TYR 84 N -3.81 2.17 -0.05 0.65 1.51 -1.26 -1.82 117.35 114.75 3i4n s TYR 84 Ca -0.00 -0.48 -0.12 0.00 -1.01 0.00 0.00 57.07 55.46 3i4n s TYR 84 Cb 0.10 -2.39 -0.05 0.00 -0.11 0.00 0.00 41.96 39.51 3i4n s TYR 84 CO 0.56 -0.84 0.30 1.41 -1.11 0.00 0.00 175.55 175.87 3i4n s MET 85 N -4.57 3.73 0.28 -0.62 1.75 -1.18 -4.71 119.30 113.98 3i4n s MET 85 Ca 0.59 0.19 -0.22 0.00 -1.25 0.00 0.00 55.69 55.00 3i4n s MET 85 Cb -0.08 -3.21 -0.09 0.00 2.84 0.00 0.00 34.83 34.29 3i4n s MET 85 CO 0.37 0.72 0.83 0.95 -0.65 0.00 0.00 175.02 177.24 3i4n s THR 86 N -1.05 4.40 0.56 10.11 -4.23 -1.26 -4.74 115.64 119.43 3i4n s THR 86 Ca 0.20 1.53 0.33 0.00 -1.18 0.00 0.00 61.69 62.57 3i4n s THR 86 Cb -0.15 -3.91 0.49 0.00 1.34 0.00 0.00 72.50 70.27 3i4n s THR 86 CO 0.10 0.14 1.81 0.07 -0.54 0.00 0.00 174.62 176.20 3i4n h LYS 87 N 3.20 0.00 -0.22 3.99 2.10 -1.98 0.76 116.57 124.43 3i4n h LYS 87 Ca -0.47 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 57.99 3i4n h LYS 87 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 3i4n h LYS 87 CO 0.65 0.00 -0.60 1.88 -2.00 0.00 0.00 179.45 179.38 3i4n h TYR 88 N 0.00 1.02 0.33 0.07 -1.99 -1.98 -1.38 116.97 113.04 3i4n h TYR 88 Ca 0.45 -0.40 -0.01 0.00 2.00 0.00 0.00 58.73 60.77 3i4n h TYR 88 Cb 1.95 -0.18 -0.00 0.00 2.00 0.00 0.00 36.73 40.50 3i4n h TYR 88 CO 0.00 1.22 -0.18 0.93 -0.00 0.00 0.00 178.16 180.12 3i4n h GLU 89 N 0.53 -0.47 -0.23 4.88 5.08 0.16 1.40 114.58 125.93 3i4n h GLU 89 Ca -0.01 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3i4n h GLU 89 Cb 1.21 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 3i4n h GLU 89 CO 0.13 -0.31 0.14 0.07 -1.00 0.00 0.00 179.01 178.03 3i4n h ARG 90 N -0.49 0.32 -0.09 2.33 0.11 -1.49 1.13 114.38 116.21 3i4n h ARG 90 Ca -0.04 -0.03 0.04 0.00 0.10 0.00 0.00 59.98 60.05 3i4n h ARG 90 Cb 0.39 -0.07 -0.06 0.00 1.11 0.00 0.00 29.97 31.34 3i4n h ARG 90 CO 0.05 0.27 -0.33 0.00 0.10 0.00 0.00 179.97 180.07 3i4n h ALA 91 N 1.03 -0.41 -0.57 0.08 0.00 -0.94 0.22 119.26 118.67 3i4n h ALA 91 Ca 0.08 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3i4n h ALA 91 Cb 0.04 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3i4n h ALA 91 CO -0.01 -0.81 0.23 -0.09 0.00 0.00 0.00 179.25 178.56 3i4n h ARG 92 N -0.42 0.86 0.60 0.00 9.65 0.24 -2.12 114.38 123.18 3i4n h ARG 92 Ca 0.08 -0.16 -0.03 0.00 -1.10 0.00 0.00 59.98 58.78 3i4n h ARG 92 Cb 0.55 -0.14 0.01 0.00 -1.39 0.00 0.00 29.97 29.00 3i4n h ARG 92 CO -0.33 0.74 -0.29 0.82 2.80 0.00 0.00 179.97 183.72 3i4n h ILE 93 N 0.79 0.37 -0.84 1.20 2.04 0.20 -0.22 117.51 121.05 3i4n h ILE 93 Ca 0.19 -0.17 0.21 0.00 1.00 0.00 0.00 64.86 66.09 3i4n h ILE 93 Cb 0.21 0.43 -0.13 0.00 -0.74 0.00 0.00 36.82 36.59 3i4n h ILE 93 CO -0.02 0.02 0.25 -0.07 0.00 0.00 0.00 178.15 178.34 3i4n h LEU 94 N -0.92 0.08 0.18 1.44 3.38 -0.58 0.45 115.31 119.34 3i4n h LEU 94 Ca -0.08 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3i4n h LEU 94 Cb 0.65 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3i4n h LEU 94 CO 0.13 -0.08 -0.09 1.23 0.09 0.00 0.00 178.44 179.73 3i4n h GLY 95 N 0.27 -0.25 -0.95 0.83 0.00 -1.22 -0.75 103.07 101.00 3i4n h GLY 95 Ca 0.51 0.09 0.09 0.00 0.00 0.00 0.00 47.33 48.02 3i4n h GLY 95 CO -0.58 -0.09 -0.57 -0.84 0.00 0.00 0.00 176.54 174.45 3i4n h THR 96 N -0.28 0.00 -0.93 4.70 2.02 -0.25 0.40 112.91 118.56 3i4n h THR 96 Ca -0.02 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.26 3i4n h THR 96 Cb 0.19 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.53 3i4n h THR 96 CO 0.04 0.00 0.60 -0.09 0.37 0.00 0.00 175.52 176.44 3i4n h ARG 97 N -0.03 0.88 0.87 6.66 9.65 -0.20 -1.19 114.38 131.02 3i4n h ARG 97 Ca 0.17 -0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 58.95 3i4n h ARG 97 Cb 0.44 -0.20 0.01 0.00 -1.39 0.00 0.00 29.97 28.83 3i4n h ARG 97 CO -0.92 0.58 -0.42 0.00 2.80 0.00 0.00 179.97 182.02 3i4n h ALA 98 N 1.55 -1.31 -0.89 2.80 0.00 0.12 0.81 119.26 122.33 3i4n h ALA 98 Ca 0.45 -0.25 0.23 0.00 0.00 0.00 0.00 54.91 55.33 3i4n h ALA 98 Cb 0.47 0.45 -0.17 0.00 0.00 0.00 0.00 17.79 18.54 3i4n h ALA 98 CO -0.21 -1.23 -0.04 -0.11 0.00 0.00 0.00 179.25 177.66 3i4n n LEU 99 N -5.13 -0.16 -0.07 0.00 7.94 0.42 0.51 117.00 120.51 3i4n n LEU 99 Ca -0.14 1.52 -0.15 0.00 -1.11 0.00 0.00 56.01 56.12 3i4n n LEU 99 Cb 0.46 -0.53 -0.05 0.00 0.53 0.00 0.00 43.42 43.83 3i4n n LEU 99 CO 0.35 -1.52 0.44 1.56 -1.11 0.00 0.00 177.39 177.11 3i4n h GLN 100 N 0.00 0.82 -0.18 1.96 4.20 -0.83 -0.86 115.11 120.22 3i4n h GLN 100 Ca 0.51 -0.53 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3i4n h GLN 100 Cb 0.99 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 3i4n h GLN 100 CO -0.86 1.16 0.02 0.82 -0.67 0.00 0.00 178.83 179.30 3i4n h ILE 101 N 0.59 1.11 0.00 2.54 2.04 0.25 0.16 117.51 124.20 3i4n h ILE 101 Ca 0.01 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3i4n h ILE 101 Cb 1.13 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3i4n h ILE 101 CO 0.12 0.13 -0.09 0.77 0.00 0.00 0.00 178.15 179.08 3i4n h SER 102 N 0.26 0.00 0.00 1.72 4.64 -0.57 -2.40 113.55 117.20 3i4n h SER 102 Ca 0.06 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3i4n h SER 102 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3i4n h SER 102 CO -0.00 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.19 3i4n n MET 103 N -2.76 0.96 -1.83 4.77 2.81 0.11 -4.83 117.12 116.35 3i4n n MET 103 Ca 0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 3i4n n MET 103 Cb 0.50 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 3i4n n MET 103 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3i4n n ASN 104 N -0.99 -1.25 -4.28 7.83 3.02 -0.91 -5.05 115.26 113.63 3i4n n ASN 104 Ca 0.23 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.49 3i4n n ASN 104 Cb 0.10 -0.49 0.21 0.00 -0.61 0.00 0.00 39.78 38.99 3i4n n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i4n s ALA 105 N -2.00 0.74 0.51 5.41 0.00 0.34 -5.00 121.76 121.76 3i4n s ALA 105 Ca 0.00 -0.65 -0.19 0.00 0.00 0.00 0.00 51.96 51.12 3i4n s ALA 105 Cb 0.00 -3.01 -0.07 0.00 0.00 0.00 0.00 23.12 20.04 3i4n s ALA 105 CO 0.00 -3.22 1.05 -2.14 0.00 0.00 0.00 175.76 171.44 3i4n s PRO 106 N -5.16 3.68 -0.28 0.00 0.02 -1.26 -4.76 135.00 127.23 3i4n s PRO 106 Ca 0.68 1.34 0.01 0.00 0.02 0.00 0.00 61.00 63.05 3i4n s PRO 106 Cb -0.15 -2.08 0.06 0.00 0.02 0.00 0.00 34.50 32.36 3i4n s PRO 106 CO 0.57 -0.53 -0.05 0.08 -0.33 0.00 0.00 177.00 176.73 3i4n s VAL 107 N -2.07 2.50 -0.18 3.83 1.01 -1.26 -4.87 120.40 119.35 3i4n s VAL 107 Ca 0.67 -1.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 3i4n s VAL 107 Cb -0.17 -2.48 0.05 0.00 0.00 0.00 0.00 36.38 33.78 3i4n s VAL 107 CO 0.24 -0.10 2.35 0.49 0.00 0.00 0.00 175.10 178.07 3i4n n PHE 108 N 4.49 0.79 -3.31 5.22 0.99 -1.26 -4.80 117.46 119.58 3i4n n PHE 108 Ca -0.12 -1.56 0.00 0.00 -0.00 0.00 0.00 57.45 55.77 3i4n n PHE 108 Cb 0.42 -0.95 0.00 0.00 -1.00 0.00 0.00 39.48 37.96 3i4n n PHE 108 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 3i4n n VAL 109 N 1.13 0.00 -3.87 -4.37 0.31 -1.26 -4.85 118.33 105.42 3i4n n VAL 109 Ca 0.24 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.24 3i4n n VAL 109 Cb 0.60 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.40 3i4n n VAL 109 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3i4n s ASP 110 N -0.22 4.70 0.08 4.52 1.01 -1.26 -5.06 116.67 120.44 3i4n s ASP 110 Ca 0.00 -2.87 -0.36 0.00 0.71 0.00 0.00 52.55 50.03 3i4n s ASP 110 Cb 0.00 -1.72 -0.16 0.00 1.01 0.00 0.00 42.92 42.05 3i4n s ASP 110 CO 0.00 -0.30 1.44 0.18 0.21 0.00 0.00 175.17 176.70 3i4n n LEU 111 N 3.36 2.11 -3.38 1.23 4.32 -1.26 -4.79 117.00 118.60 3i4n n LEU 111 Ca 0.06 1.10 -0.35 0.00 -0.02 0.00 0.00 56.01 56.80 3i4n n LEU 111 Cb 0.35 -1.25 -0.01 0.00 -1.62 0.00 0.00 43.42 40.88 3i4n n LEU 111 CO 0.33 -0.79 0.82 1.21 -1.22 0.00 0.00 177.39 177.74 3i4n n GLU 112 N 3.02 4.31 0.00 3.23 2.13 -1.26 -4.69 120.64 127.39 3i4n n GLU 112 Ca 0.19 -4.74 0.00 0.00 0.66 0.00 0.00 57.16 53.27 3i4n n GLU 112 Cb 0.22 -2.37 0.00 0.00 0.27 0.00 0.00 31.44 29.56 3i4n n GLU 112 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i4n n GLY 113 N 0.04 2.87 3.06 8.31 0.00 -1.26 -4.93 105.19 113.29 3i4n n GLY 113 Ca 0.38 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.85 3i4n n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i4n n GLU 114 N -1.11 0.00 -0.00 1.61 -0.58 -1.26 -4.76 120.64 114.54 3i4n n GLU 114 Ca 0.00 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.84 3i4n n GLU 114 Cb 0.00 -1.40 -0.11 0.00 -0.57 0.00 0.00 31.44 29.35 3i4n n GLU 114 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3i4n n THR 115 N 6.16 0.00 -3.34 2.62 -2.24 -1.26 -4.88 114.28 111.35 3i4n n THR 115 Ca 0.52 -0.08 -0.36 0.00 -2.27 0.00 0.00 64.05 61.86 3i4n n THR 115 Cb -0.03 0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 68.95 3i4n n THR 115 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i4n s ASP 116 N -3.25 6.90 -0.03 3.42 -1.08 -1.26 -5.01 116.67 116.35 3i4n s ASP 116 Ca 0.06 1.13 -0.21 0.00 -0.52 0.00 0.00 52.55 53.00 3i4n s ASP 116 Cb 0.16 -2.31 -0.15 0.00 -1.46 0.00 0.00 42.92 39.16 3i4n s ASP 116 CO 0.87 0.17 0.93 1.55 0.52 0.00 0.00 175.17 179.21 3i4n h PRO 117 N 3.93 -0.33 0.00 4.34 0.13 -1.90 -2.37 132.00 135.79 3i4n h PRO 117 Ca -0.49 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3i4n h PRO 117 Cb 1.20 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3i4n h PRO 117 CO 0.65 0.03 0.10 -0.11 -0.23 0.00 0.00 178.00 178.43 3i4n n LEU 118 N -5.03 0.00 -0.10 1.56 7.94 -1.26 0.14 117.00 120.25 3i4n n LEU 118 Ca -0.08 0.33 -0.22 0.00 -1.11 0.00 0.00 56.01 54.94 3i4n n LEU 118 Cb 0.26 -0.33 -0.12 0.00 0.53 0.00 0.00 43.42 43.76 3i4n n LEU 118 CO 0.25 -0.33 -0.50 -0.09 -1.11 0.00 0.00 177.39 175.61 3i4n h ARG 119 N 0.00 0.01 0.08 1.96 9.65 -1.93 -2.37 114.38 121.79 3i4n h ARG 119 Ca 0.00 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3i4n h ARG 119 Cb 0.20 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 3i4n h ARG 119 CO 0.00 1.01 -0.04 0.82 2.80 0.00 0.00 179.97 184.56 3i4n h ILE 120 N -0.96 0.95 -0.45 1.20 2.04 0.18 0.10 117.51 120.57 3i4n h ILE 120 Ca -0.34 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.46 3i4n h ILE 120 Cb 1.32 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 38.38 3i4n h ILE 120 CO -0.19 0.03 0.18 0.00 0.00 0.00 0.00 178.15 178.17 3i4n h ALA 121 N 0.75 0.55 -1.00 1.87 0.00 0.10 1.33 119.26 122.86 3i4n h ALA 121 Ca -0.01 0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.19 3i4n h ALA 121 Cb 0.13 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 3i4n h ALA 121 CO 0.02 -0.19 0.65 0.52 0.00 0.00 0.00 179.25 180.25 3i4n h MET 122 N 0.37 0.37 0.02 0.00 2.86 -0.77 0.76 114.93 118.53 3i4n h MET 122 Ca 0.20 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.70 3i4n h MET 122 Cb 0.17 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3i4n h MET 122 CO -0.18 0.25 -0.66 -0.22 1.06 0.00 0.00 176.91 177.15 3i4n h LYS 123 N 0.38 0.03 -1.05 1.72 3.64 0.23 -3.24 116.57 118.29 3i4n h LYS 123 Ca 0.54 -0.06 0.30 0.00 -1.27 0.00 0.00 60.65 60.17 3i4n h LYS 123 Cb 1.41 0.02 -0.13 0.00 -0.41 0.00 0.00 32.23 33.13 3i4n h LYS 123 CO -0.23 1.03 0.64 0.93 -2.27 0.00 0.00 179.45 179.54 3i4n h GLU 124 N -0.91 0.37 0.00 1.90 5.08 0.22 1.17 114.58 122.41 3i4n h GLU 124 Ca -0.17 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 3i4n h GLU 124 Cb 1.22 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 3i4n h GLU 124 CO -0.07 0.24 -0.14 1.25 -1.00 0.00 0.00 179.01 179.29 3i4n h LEU 125 N 0.38 0.00 0.00 1.33 5.85 -0.97 0.07 115.31 121.97 3i4n h LEU 125 Ca 0.69 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 59.27 3i4n h LEU 125 Cb 1.63 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.64 3i4n h LEU 125 CO -0.47 0.14 -1.14 0.00 -0.34 0.00 0.00 178.44 176.63 3i4n h ALA 126 N 1.86 0.65 -0.70 1.25 0.00 0.14 -3.20 119.26 119.25 3i4n h ALA 126 Ca -0.00 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3i4n h ALA 126 Cb 0.38 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3i4n h ALA 126 CO 0.02 0.79 0.00 0.39 0.00 0.00 0.00 179.25 180.44 3i4n n GLU 127 N -2.97 3.36 -4.45 0.00 1.02 -0.86 -4.92 120.64 111.81 3i4n n GLU 127 Ca -0.06 -2.83 -0.39 0.00 -0.02 0.00 0.00 57.16 53.87 3i4n n GLU 127 Cb 0.79 -1.78 -0.09 0.00 -0.02 0.00 0.00 31.44 30.35 3i4n n GLU 127 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i4n n LYS 128 N 1.39 -0.79 -2.34 3.49 5.02 -0.68 -4.84 118.16 119.41 3i4n n LYS 128 Ca 0.26 0.12 -0.32 0.00 -2.02 0.00 0.00 58.31 56.35 3i4n n LYS 128 Cb 0.79 -4.31 0.01 0.00 -0.02 0.00 0.00 35.03 31.51 3i4n n LYS 128 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i4n n LYS 129 N -4.21 3.30 -4.60 1.97 5.02 -0.07 -4.46 118.16 115.11 3i4n n LYS 129 Ca -0.03 -4.22 -0.33 0.00 -2.02 0.00 0.00 58.31 51.71 3i4n n LYS 129 Cb 0.53 -2.27 -0.13 0.00 -0.02 0.00 0.00 35.03 33.13 3i4n n LYS 129 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i4n s ILE 130 N -5.22 3.38 -0.39 -0.18 1.01 -1.26 -4.73 121.20 113.81 3i4n s ILE 130 Ca 0.49 -0.54 -0.04 0.00 0.00 0.00 0.00 60.65 60.56 3i4n s ILE 130 Cb 0.39 -2.45 0.05 0.00 0.01 0.00 0.00 42.46 40.45 3i4n s ILE 130 CO -0.26 0.51 2.77 -0.81 0.00 0.00 0.00 174.94 177.15 3i4n n PRO 131 N 3.58 2.29 -4.18 2.79 -0.04 -1.26 -4.61 135.00 133.57 3i4n n PRO 131 Ca -0.18 -2.12 -0.25 0.00 -0.04 0.00 0.00 63.50 60.91 3i4n n PRO 131 Cb 0.53 -2.07 -0.07 0.00 -0.04 0.00 0.00 33.50 31.85 3i4n n PRO 131 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i4n s LEU 132 N -1.92 3.47 -0.13 1.53 1.43 -1.26 -5.05 118.68 116.75 3i4n s LEU 132 Ca 0.57 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 3i4n s LEU 132 Cb 0.36 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.52 3i4n s LEU 132 CO -0.18 0.05 -0.13 -0.69 0.23 0.00 0.00 176.35 175.63 3i4n s VAL 133 N -1.89 1.44 -0.58 -1.59 1.01 -1.26 -2.23 120.40 115.29 3i4n s VAL 133 Ca 0.30 -0.57 -0.22 0.00 0.00 0.00 0.00 61.98 61.49 3i4n s VAL 133 Cb -0.09 -1.35 0.06 0.00 0.00 0.00 0.00 36.38 35.00 3i4n s VAL 133 CO 0.21 0.43 0.85 -0.63 0.00 0.00 0.00 175.10 175.97 3i4n s ILE 134 N 1.33 4.52 -0.66 2.22 1.01 0.12 -4.93 121.20 124.82 3i4n s ILE 134 Ca 0.01 -0.25 -0.25 0.00 0.00 0.00 0.00 60.65 60.15 3i4n s ILE 134 Cb -0.14 -4.53 0.05 0.00 0.01 0.00 0.00 42.46 37.85 3i4n s ILE 134 CO -0.07 -1.17 1.08 -0.60 0.00 0.00 0.00 174.94 174.18 3i4n s ARG 135 N 3.57 3.21 0.19 2.79 3.52 -1.26 -2.08 118.95 128.88 3i4n s ARG 135 Ca 0.22 -0.44 -0.30 0.00 -0.13 0.00 0.00 55.73 55.08 3i4n s ARG 135 Cb -0.17 -4.16 -0.08 0.00 -1.56 0.00 0.00 34.95 28.98 3i4n s ARG 135 CO 0.13 -1.85 0.94 1.03 -0.81 0.00 0.00 175.30 174.74 3i4n s ARG 136 N 4.65 4.79 -0.07 5.12 0.52 -0.57 -4.96 118.95 128.43 3i4n s ARG 136 Ca 0.30 1.46 0.02 0.00 -0.52 0.00 0.00 55.73 56.98 3i4n s ARG 136 Cb -0.12 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 32.01 3i4n s ARG 136 CO 0.15 0.42 -0.11 0.71 0.02 0.00 0.00 175.30 176.49 3i4n s TYR 137 N -0.78 2.82 -0.11 -0.53 1.51 -1.26 -2.47 117.35 116.53 3i4n s TYR 137 Ca 0.43 -0.16 -0.05 0.00 -1.01 0.00 0.00 57.07 56.28 3i4n s TYR 137 Cb -0.25 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 3i4n s TYR 137 CO 0.31 0.18 0.09 -0.51 -1.11 0.00 0.00 175.55 174.51 3i4n s LEU 138 N -0.56 4.09 0.18 -1.29 1.43 -0.16 -4.97 118.68 117.39 3i4n s LEU 138 Ca 0.08 0.34 0.08 0.00 -1.03 0.00 0.00 54.13 53.60 3i4n s LEU 138 Cb -0.12 -1.98 0.28 0.00 0.03 0.00 0.00 46.19 44.40 3i4n s LEU 138 CO 0.02 0.39 0.38 -0.81 0.23 0.00 0.00 176.35 176.56 3i4n n PRO 139 N 2.08 0.00 0.00 1.29 -0.04 -1.26 0.68 135.00 137.75 3i4n n PRO 139 Ca -0.19 0.30 0.08 0.00 -0.04 0.00 0.00 63.50 63.65 3i4n n PRO 139 Cb 0.54 -0.74 0.06 0.00 -0.04 0.00 0.00 33.50 33.32 3i4n n PRO 139 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3i4n n ASP 140 N -1.89 2.24 0.00 3.54 5.68 -1.26 -4.99 116.55 119.87 3i4n n ASP 140 Ca 0.07 -1.62 0.00 0.00 -0.50 0.00 0.00 54.79 52.74 3i4n n ASP 140 Cb 0.46 0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 3i4n n ASP 140 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i4n n GLY 141 N 0.98 1.14 3.75 6.12 0.00 0.21 -5.09 105.19 112.30 3i4n n GLY 141 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3i4n n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i4n s SER 142 N -0.60 3.83 0.29 1.61 1.04 -1.26 -4.74 113.70 113.87 3i4n s SER 142 Ca 0.00 1.45 -0.14 0.00 0.48 0.00 0.00 55.95 57.74 3i4n s SER 142 Cb 0.00 -2.14 0.01 0.00 0.10 0.00 0.00 66.02 63.99 3i4n s SER 142 CO 0.00 -2.41 0.58 0.72 0.98 0.00 0.00 173.24 173.11 3i4n s PHE 143 N -3.00 0.30 -0.02 5.02 -0.12 -1.26 -0.99 117.98 117.90 3i4n s PHE 143 Ca 0.62 -0.71 0.05 0.00 -0.05 0.00 0.00 56.93 56.85 3i4n s PHE 143 Cb -0.17 0.36 -0.01 0.00 -0.63 0.00 0.00 43.02 42.57 3i4n s PHE 143 CO 0.56 -1.15 -0.19 -1.21 -0.05 0.00 0.00 175.22 173.18 3i4n s GLU 144 N -3.63 1.64 -0.20 1.99 2.02 -1.03 -0.52 118.70 118.97 3i4n s GLU 144 Ca 0.20 -0.66 -0.09 0.00 0.02 0.00 0.00 54.97 54.44 3i4n s GLU 144 Cb -0.02 -1.52 -0.05 0.00 0.10 0.00 0.00 34.13 32.64 3i4n s GLU 144 CO 0.10 0.35 0.11 -0.51 0.02 0.00 0.00 175.26 175.33 3i4n s ASP 145 N -0.28 5.95 -0.05 -0.19 1.01 -1.26 -1.51 116.67 120.33 3i4n s ASP 145 Ca 0.03 0.15 0.04 0.00 0.71 0.00 0.00 52.55 53.48 3i4n s ASP 145 Cb -0.09 -2.04 -0.00 0.00 1.01 0.00 0.00 42.92 41.80 3i4n s ASP 145 CO 0.00 0.16 -0.18 0.26 0.21 0.00 0.00 175.17 175.63 3i4n s TRP 146 N 0.47 1.79 0.04 4.23 0.52 -0.89 -4.91 118.94 120.20 3i4n s TRP 146 Ca 0.06 -0.55 -0.09 0.00 0.02 0.00 0.00 56.10 55.54 3i4n s TRP 146 Cb -0.12 -1.21 -0.05 0.00 -1.15 0.00 0.00 33.47 30.93 3i4n s TRP 146 CO -0.00 -0.20 0.35 -1.54 0.02 0.00 0.00 176.95 175.58 3i4n s SER 147 N 0.11 6.60 0.20 2.95 1.04 -1.26 0.16 113.70 123.51 3i4n s SER 147 Ca -0.06 0.73 -0.20 0.00 0.48 0.00 0.00 55.95 56.90 3i4n s SER 147 Cb -0.13 -2.15 0.16 0.00 0.10 0.00 0.00 66.02 64.00 3i4n s SER 147 CO 0.03 0.22 1.58 -0.37 0.98 0.00 0.00 173.24 175.68 3i4n h VAL 148 N 3.03 0.13 -0.04 5.02 -1.51 -1.71 -0.23 116.25 120.94 3i4n h VAL 148 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 3i4n h VAL 148 Cb 1.20 0.13 -0.01 0.00 -2.13 0.00 0.00 31.29 30.48 3i4n h VAL 148 CO 0.66 0.00 -0.03 -0.33 -1.23 0.00 0.00 177.57 176.64 3i4n h GLU 149 N -0.12 -0.00 0.00 5.19 5.08 -1.81 -3.24 114.58 119.67 3i4n h GLU 149 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3i4n h GLU 149 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3i4n h GLU 149 CO -0.76 -0.00 0.00 0.39 -1.00 0.00 0.00 179.01 177.64 3i4n n GLU 150 N -3.04 0.00 -0.77 2.33 1.02 -0.12 -4.65 120.64 115.40 3i4n n GLU 150 Ca 0.00 0.29 -0.29 0.00 -0.02 0.00 0.00 57.16 57.14 3i4n n GLU 150 Cb 0.01 -0.71 -0.03 0.00 -0.02 0.00 0.00 31.44 30.69 3i4n n GLU 150 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i4n n LEU 151 N -0.63 -0.22 0.00 -4.62 4.77 -1.07 -4.93 117.00 110.31 3i4n n LEU 151 Ca 0.00 0.61 -0.19 0.00 -0.03 0.00 0.00 56.01 56.39 3i4n n LEU 151 Cb 0.00 -0.49 0.14 0.00 -2.33 0.00 0.00 43.42 40.74 3i4n n LEU 151 CO 0.00 -1.19 0.58 -0.38 -1.33 0.00 0.00 177.39 175.06 3i4n n ILE 152 N 0.53 0.00 -3.23 -0.08 5.41 -0.75 -4.82 119.36 116.41 3i4n n ILE 152 Ca 0.10 -0.64 -0.22 0.00 1.00 0.00 0.00 62.75 62.99 3i4n n ILE 152 Cb 0.07 -1.68 -0.07 0.00 -0.71 0.00 0.00 39.64 37.25 3i4n n ILE 152 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3i4n n VAL 153 N -3.21 -0.92 -0.61 1.39 0.31 -1.26 -3.11 118.33 110.92 3i4n n VAL 153 Ca 0.11 -2.89 0.09 0.00 -0.01 0.00 0.00 64.34 61.64 3i4n n VAL 153 Cb 0.38 -1.04 0.32 0.00 -0.91 0.00 0.00 33.84 32.60 3i4n n VAL 153 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3i4n n ASP 154 N 2.78 4.45 0.00 4.52 -0.08 -1.26 -5.08 116.55 121.88 3i4n n ASP 154 Ca 0.27 -2.45 0.10 0.00 -1.51 0.00 0.00 54.79 51.20 3i4n n ASP 154 Cb 0.50 -0.53 0.58 0.00 2.34 0.00 0.00 41.12 44.01 3i4n n ASP 154 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50