#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9v h ARG 16 N 0.00 0.06 -0.60 3.49 1.12 -2.03 0.54 114.38 116.95 3i9v h ARG 16 Ca 0.00 -0.00 -0.31 0.00 -1.11 0.00 0.00 59.98 58.55 3i9v h ARG 16 Cb 0.00 -0.01 -0.19 0.00 -0.01 0.00 0.00 29.97 29.76 3i9v h ARG 16 CO 0.00 0.04 0.20 -1.91 -3.11 0.00 0.00 179.97 175.19 3i9v n GLU 17 N -4.33 1.99 -4.29 0.20 4.07 -1.26 -4.40 120.64 112.62 3i9v n GLU 17 Ca 0.37 -3.13 -0.35 0.00 -0.06 0.00 0.00 57.16 53.99 3i9v n GLU 17 Cb 1.56 -1.96 -0.09 0.00 -0.06 0.00 0.00 31.44 30.89 3i9v n GLU 17 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 3i9v s GLY 18 N -2.07 1.87 0.22 8.31 0.00 0.19 -4.93 107.32 110.90 3i9v s GLY 18 Ca 0.49 -0.78 0.03 0.00 0.00 0.00 0.00 44.72 44.46 3i9v s GLY 18 CO 0.04 -0.44 1.06 4.51 0.00 0.00 0.00 173.10 178.28 3i9v n ILE 19 N 2.41 -0.28 0.17 0.90 3.06 -1.26 -0.56 119.36 123.80 3i9v n ILE 19 Ca -0.18 1.48 -0.08 0.00 -2.50 0.00 0.00 62.75 61.47 3i9v n ILE 19 Cb 0.53 -2.19 -0.04 0.00 0.54 0.00 0.00 39.64 38.49 3i9v n ILE 19 CO 0.00 0.00 0.00 0.25 -2.50 0.00 0.00 176.55 174.30 3i9v h LEU 20 N 0.00 -0.46 -0.07 9.51 5.85 -1.94 0.11 115.31 128.30 3i9v h LEU 20 Ca 0.43 0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.19 3i9v h LEU 20 Cb 0.93 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3i9v h LEU 20 CO -0.62 -0.29 -0.16 0.15 -0.34 0.00 0.00 178.44 177.17 3i9v h PHE 21 N -0.47 -0.48 -0.99 1.25 3.57 -1.08 -1.59 116.94 117.14 3i9v h PHE 21 Ca -0.04 0.02 0.27 0.00 3.53 0.00 0.00 57.97 61.75 3i9v h PHE 21 Cb 0.38 0.22 -0.19 0.00 2.79 0.00 0.00 35.95 39.15 3i9v h PHE 21 CO 0.06 -0.15 0.00 2.41 -2.23 0.00 0.00 178.31 178.40 3i9v n THR 22 N -3.43 -0.42 1.11 4.41 -1.04 -0.79 0.72 114.28 114.84 3i9v n THR 22 Ca -0.01 2.19 0.11 0.00 -2.04 0.00 0.00 64.05 64.30 3i9v n THR 22 Cb 0.11 -3.19 0.58 0.00 -1.82 0.00 0.00 70.33 66.00 3i9v n THR 22 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3i9v n THR 23 N -5.50 0.26 -0.08 12.58 -1.04 0.37 -1.14 114.28 119.73 3i9v n THR 23 Ca 0.23 0.07 -0.12 0.00 -2.04 0.00 0.00 64.05 62.19 3i9v n THR 23 Cb 0.75 -0.70 -0.06 0.00 -1.82 0.00 0.00 70.33 68.50 3i9v n THR 23 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3i9v h LEU 24 N 0.00 0.00 -1.49 -4.42 4.07 0.12 -3.27 115.31 110.32 3i9v h LEU 24 Ca 0.00 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.66 3i9v h LEU 24 Cb 0.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.93 3i9v h LEU 24 CO 0.00 1.05 0.02 1.05 -1.08 0.00 0.00 178.44 179.47 3i9v h GLU 25 N -1.00 0.00 0.00 1.13 4.11 -0.98 0.67 114.58 118.51 3i9v h GLU 25 Ca -0.14 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.17 3i9v h GLU 25 Cb 0.82 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3i9v h GLU 25 CO -0.08 0.00 -1.20 0.87 0.07 0.00 0.00 179.01 178.67 3i9v h LYS 26 N 0.00 0.00 0.01 1.06 1.57 -1.30 -2.81 116.57 115.10 3i9v h LYS 26 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i9v h LYS 26 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3i9v h LYS 26 CO 0.00 0.25 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.05 3i9v h LEU 27 N 0.00 -0.01 -0.59 2.94 4.07 0.03 -2.81 115.31 118.93 3i9v h LEU 27 Ca -0.11 -0.76 0.12 0.00 0.08 0.00 0.00 57.88 57.21 3i9v h LEU 27 Cb 1.43 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 43.08 3i9v h LEU 27 CO 0.04 0.78 0.05 0.58 -1.08 0.00 0.00 178.44 178.81 3i9v h VAL 28 N -0.83 0.56 0.21 1.22 2.07 -0.32 0.17 116.25 119.34 3i9v h VAL 28 Ca -0.00 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3i9v h VAL 28 Cb 0.78 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3i9v h VAL 28 CO 0.00 0.03 -0.10 0.00 0.02 0.00 0.00 177.57 177.52 3i9v h ALA 29 N 1.51 -0.28 -0.23 1.67 0.00 -1.60 -0.56 119.26 119.77 3i9v h ALA 29 Ca 0.31 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.21 3i9v h ALA 29 Cb 0.49 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3i9v h ALA 29 CO -0.46 -0.64 0.19 2.35 0.00 0.00 0.00 179.25 180.68 3i9v h TRP 30 N -0.33 0.00 0.24 0.00 2.91 -1.24 0.41 115.95 117.94 3i9v h TRP 30 Ca -0.03 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.98 3i9v h TRP 30 Cb 0.25 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.90 3i9v h TRP 30 CO -0.05 0.00 -0.11 0.78 -1.03 0.00 0.00 178.44 178.03 3i9v h GLY 31 N 0.00 -0.33 -0.14 2.65 0.00 0.35 -3.13 103.07 102.46 3i9v h GLY 31 Ca 0.11 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3i9v h GLY 31 CO -0.00 -0.12 0.00 -0.96 0.00 0.00 0.00 176.54 175.46 3i9v n ARG 32 N -3.05 0.98 0.16 4.80 1.85 -0.32 -1.83 116.66 119.25 3i9v n ARG 32 Ca -0.04 0.00 0.13 0.00 -1.00 0.00 0.00 57.85 56.94 3i9v n ARG 32 Cb 0.13 -1.07 0.46 0.00 -1.05 0.00 0.00 32.46 30.92 3i9v n ARG 32 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3i9v h SER 33 N 0.00 0.00 0.00 2.89 0.87 -0.11 -3.29 113.55 113.91 3i9v h SER 33 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3i9v h SER 33 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 3i9v h SER 33 CO 0.00 0.00 -0.02 0.59 -0.53 0.00 0.00 176.83 176.87 3i9v n ASN 34 N -2.51 0.12 -2.00 6.23 4.13 -0.76 -4.56 115.26 115.91 3i9v n ASN 34 Ca 0.03 -0.49 -0.07 0.00 1.68 0.00 0.00 54.58 55.73 3i9v n ASN 34 Cb 0.35 1.00 0.29 0.00 -1.54 0.00 0.00 39.78 39.87 3i9v n ASN 34 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3i9v n SER 35 N -1.01 4.69 -4.71 6.41 3.41 -1.18 -4.95 113.62 116.28 3i9v n SER 35 Ca 0.00 -3.20 -0.42 0.00 -0.26 0.00 0.00 58.87 54.99 3i9v n SER 35 Cb 0.00 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 63.17 3i9v n SER 35 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3i9v s LEU 36 N -2.90 4.37 -0.56 1.04 1.43 -1.24 -4.93 118.68 115.89 3i9v s LEU 36 Ca 0.53 2.47 0.04 0.00 -1.03 0.00 0.00 54.13 56.14 3i9v s LEU 36 Cb 0.43 -3.58 0.14 0.00 0.03 0.00 0.00 46.19 43.20 3i9v s LEU 36 CO 0.13 -0.78 0.31 0.86 0.23 0.00 0.00 176.35 177.11 3i9v s TRP 37 N 1.50 3.27 0.31 0.29 -0.00 -1.20 -5.03 118.94 118.08 3i9v s TRP 37 Ca 0.69 -3.20 -0.29 0.00 -0.00 0.00 0.00 56.10 53.30 3i9v s TRP 37 Cb -0.40 -2.81 -0.12 0.00 -0.00 0.00 0.00 33.47 30.14 3i9v s TRP 37 CO 0.31 -0.71 1.48 -2.30 -0.00 0.00 0.00 176.95 175.73 3i9v n PRO 38 N 2.90 2.47 -3.83 5.86 -0.02 -1.24 -2.99 135.00 138.14 3i9v n PRO 38 Ca 0.08 0.87 -0.29 0.00 -2.02 0.00 0.00 63.50 62.14 3i9v n PRO 38 Cb 0.33 -2.58 -0.13 0.00 -0.02 0.00 0.00 33.50 31.09 3i9v n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i9v s ALA 39 N -0.49 2.86 0.59 3.55 0.00 -0.79 -4.95 121.76 122.54 3i9v s ALA 39 Ca 0.60 -3.06 -0.19 0.00 0.00 0.00 0.00 51.96 49.31 3i9v s ALA 39 Cb -0.53 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 3i9v s ALA 39 CO 0.55 -2.05 1.14 -2.37 0.00 0.00 0.00 175.76 173.04 3i9v n THR 40 N 3.11 4.03 -3.20 0.00 5.66 -1.26 -2.74 114.28 119.88 3i9v n THR 40 Ca 0.09 -0.50 -0.23 0.00 -3.05 0.00 0.00 64.05 60.36 3i9v n THR 40 Cb 0.34 -1.36 -0.06 0.00 -1.55 0.00 0.00 70.33 67.70 3i9v n THR 40 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 3i9v n PHE 41 N -1.58 -0.03 -1.82 1.09 7.35 0.24 -4.83 117.46 117.89 3i9v n PHE 41 Ca 0.13 -3.64 -0.40 0.00 -0.76 0.00 0.00 57.45 52.79 3i9v n PHE 41 Cb 0.46 -0.37 0.02 0.00 0.35 0.00 0.00 39.48 39.94 3i9v n PHE 41 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3i9v s GLY 42 N -1.46 2.92 0.00 7.13 0.00 -1.26 -2.73 107.32 111.92 3i9v s GLY 42 Ca 0.36 1.43 0.00 0.00 0.00 0.00 0.00 44.72 46.52 3i9v s GLY 42 CO -0.10 2.03 0.00 1.04 0.00 0.00 0.00 173.10 176.07 3i9v n LEU 43 N -0.26 0.00 0.00 0.66 4.77 -0.04 -4.91 117.00 117.22 3i9v n LEU 43 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3i9v n LEU 43 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3i9v n LEU 43 CO 0.58 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.64 3i9v n ALA 44 N -3.00 0.00 -0.22 -1.18 0.00 -1.25 -4.70 120.51 110.15 3i9v n ALA 44 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 3i9v n ALA 44 Cb 0.00 0.00 0.34 0.00 0.00 0.00 0.00 19.45 19.79 3i9v n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9v h ALA 47 N 1.60 1.76 0.00 0.00 0.00 0.12 -1.96 119.26 120.78 3i9v h ALA 47 Ca 0.26 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.02 3i9v h ALA 47 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3i9v h ALA 47 CO -0.07 -0.04 -1.05 0.82 0.00 0.00 0.00 179.25 178.92 3i9v h ILE 48 N 0.76 1.09 0.00 0.00 2.04 -1.68 -3.06 117.51 116.65 3i9v h ILE 48 Ca 0.50 -2.68 0.00 0.00 1.00 0.00 0.00 64.86 63.68 3i9v h ILE 48 Cb 0.76 2.50 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 3i9v h ILE 48 CO -0.26 0.62 -0.01 1.21 0.00 0.00 0.00 178.15 179.71 3i9v n GLU 49 N -3.18 0.20 0.04 2.37 4.07 -0.79 -2.57 120.64 120.79 3i9v n GLU 49 Ca -0.04 0.16 -0.02 0.00 -0.06 0.00 0.00 57.16 57.20 3i9v n GLU 49 Cb 0.88 -1.73 -0.08 0.00 -0.06 0.00 0.00 31.44 30.44 3i9v n GLU 49 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 3i9v h MET 50 N 0.00 0.00 -1.05 5.31 4.05 -1.44 -3.32 114.93 118.48 3i9v h MET 50 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3i9v h MET 50 Cb 0.68 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.48 3i9v h MET 50 CO 0.00 0.43 0.00 -1.33 0.23 0.00 0.00 176.91 176.24 3i9v n MET 51 N -3.01 0.94 0.00 0.39 2.81 -1.06 -1.26 117.12 115.92 3i9v n MET 51 Ca -0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 3i9v n MET 51 Cb 0.88 -1.05 0.00 0.00 -0.71 0.00 0.00 33.22 32.34 3i9v n MET 51 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i9v n ALA 52 N 0.50 1.08 -0.05 3.04 0.00 -1.25 -4.42 120.51 119.42 3i9v n ALA 52 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3i9v n ALA 52 Cb 0.46 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.77 3i9v n ALA 52 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i9v n SER 53 N -0.59 0.89 0.11 0.00 3.41 -0.39 -3.84 113.62 113.21 3i9v n SER 53 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.57 3i9v n SER 53 Cb 0.00 1.31 0.10 0.00 -0.26 0.00 0.00 64.21 65.36 3i9v n SER 53 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3i9v h THR 54 N 0.00 1.47 0.00 6.66 2.02 -1.63 -3.17 112.91 118.27 3i9v h THR 54 Ca -0.25 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 64.61 3i9v h THR 54 Cb 1.50 2.24 0.00 0.00 -1.74 0.00 0.00 68.15 70.15 3i9v h THR 54 CO 0.01 0.67 -0.22 0.47 0.37 0.00 0.00 175.52 176.82 3i9v n ASP 55 N -3.74 0.25 0.01 4.18 9.92 -1.26 -4.00 116.55 121.91 3i9v n ASP 55 Ca -0.02 0.20 -0.04 0.00 -0.53 0.00 0.00 54.79 54.40 3i9v n ASP 55 Cb 0.68 -0.19 -0.11 0.00 -0.64 0.00 0.00 41.12 40.86 3i9v n ASP 55 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i9v h ALA 56 N 2.96 0.71 -3.00 2.24 0.00 -1.65 -3.50 119.26 117.02 3i9v h ALA 56 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.78 3i9v h ALA 56 Cb 0.52 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3i9v h ALA 56 CO 0.00 1.23 0.00 2.89 0.00 0.00 0.00 179.25 183.37 3i9v n ARG 57 N -2.97 0.00 0.00 0.00 -4.01 -1.25 -5.12 116.66 103.31 3i9v n ARG 57 Ca -0.13 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.68 3i9v n ARG 57 Cb 0.94 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 30.36 3i9v n ARG 57 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 3i9v n GLN 74 N 0.00 0.00 -4.31 2.89 1.13 -1.26 -5.13 117.38 110.70 3i9v n GLN 74 Ca 0.00 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.88 3i9v n GLN 74 Cb 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.21 3i9v n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i9v s ALA 75 N 0.00 0.79 0.07 -1.58 0.00 -1.26 -4.97 121.76 114.82 3i9v s ALA 75 Ca 0.00 -0.52 0.05 0.00 0.00 0.00 0.00 51.96 51.49 3i9v s ALA 75 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 3i9v s ALA 75 CO 0.00 0.16 -0.04 0.16 0.00 0.00 0.00 175.76 176.04 3i9v s ASP 76 N -0.59 4.76 0.00 0.00 -4.77 -1.16 -4.54 116.67 110.38 3i9v s ASP 76 Ca 0.01 -0.23 0.00 0.00 -3.30 0.00 0.00 52.55 49.03 3i9v s ASP 76 Cb -0.05 -1.07 0.00 0.00 -1.09 0.00 0.00 42.92 40.71 3i9v s ASP 76 CO 0.00 0.20 0.00 0.52 0.70 0.00 0.00 175.17 176.59 3i9v n VAL 77 N 0.82 -0.69 -2.51 2.11 0.31 -1.19 -3.25 118.33 113.93 3i9v n VAL 77 Ca -0.13 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.78 3i9v n VAL 77 Cb 0.52 -2.23 -0.03 0.00 -0.91 0.00 0.00 33.84 31.20 3i9v n VAL 77 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i9v s MET 78 N -2.46 4.43 -0.33 5.55 0.23 -0.57 -1.88 119.30 124.28 3i9v s MET 78 Ca 0.00 1.64 -0.13 0.00 -1.03 0.00 0.00 55.69 56.17 3i9v s MET 78 Cb 0.00 -3.44 -0.02 0.00 -1.53 0.00 0.00 34.83 29.83 3i9v s MET 78 CO 0.00 -0.27 0.27 0.42 -2.03 0.00 0.00 175.02 173.40 3i9v s ILE 79 N 1.45 5.26 -0.37 3.16 1.01 -1.11 -1.14 121.20 129.46 3i9v s ILE 79 Ca 0.56 -0.05 -0.23 0.00 0.00 0.00 0.00 60.65 60.93 3i9v s ILE 79 Cb -0.26 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.51 3i9v s ILE 79 CO 0.26 0.02 0.75 -0.69 0.00 0.00 0.00 174.94 175.28 3i9v s VAL 80 N 1.82 4.76 -0.59 2.92 1.01 0.80 -0.59 120.40 130.53 3i9v s VAL 80 Ca 0.08 0.78 0.04 0.00 0.00 0.00 0.00 61.98 62.88 3i9v s VAL 80 Cb -0.17 -4.19 0.16 0.00 0.00 0.00 0.00 36.38 32.18 3i9v s VAL 80 CO 0.11 -0.43 0.40 0.00 0.00 0.00 0.00 175.10 175.18 3i9v s ALA 81 N 3.02 3.07 0.00 5.51 0.00 -1.10 0.00 121.76 132.26 3i9v s ALA 81 Ca 0.30 -3.33 0.00 0.00 0.00 0.00 0.00 51.96 48.92 3i9v s ALA 81 Cb -0.13 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 20.96 3i9v s ALA 81 CO 0.17 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.28 3i9v n GLY 82 N 2.51 2.29 3.63 0.00 0.00 -1.25 -0.86 105.19 111.51 3i9v n GLY 82 Ca 0.18 -1.75 -0.44 0.00 0.00 0.00 0.00 46.02 44.00 3i9v n GLY 82 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i9v n ARG 83 N -1.91 2.29 -2.85 1.61 0.00 -1.26 -3.97 116.66 110.57 3i9v n ARG 83 Ca 0.00 0.77 -0.43 0.00 -0.00 0.00 0.00 57.85 58.19 3i9v n ARG 83 Cb 0.00 -2.99 -0.04 0.00 -0.00 0.00 0.00 32.46 29.43 3i9v n ARG 83 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3i9v s LEU 84 N 6.02 4.11 0.83 2.89 1.98 -1.26 -4.69 118.68 128.55 3i9v s LEU 84 Ca 0.96 -0.23 -0.10 0.00 -2.89 0.00 0.00 54.13 51.87 3i9v s LEU 84 Cb -0.47 -2.92 0.09 0.00 0.66 0.00 0.00 46.19 43.54 3i9v s LEU 84 CO 0.42 -1.15 1.11 -0.55 -1.89 0.00 0.00 176.35 174.28 3i9v s SER 85 N 2.64 3.93 0.24 3.68 0.15 -1.26 -2.39 113.70 120.68 3i9v s SER 85 Ca 0.32 1.91 0.07 0.00 0.70 0.00 0.00 55.95 58.94 3i9v s SER 85 Cb -0.12 -2.51 0.25 0.00 -1.71 0.00 0.00 66.02 61.93 3i9v s SER 85 CO 0.21 -2.42 1.55 0.11 1.20 0.00 0.00 173.24 173.90 3i9v h LYS 86 N -1.39 0.13 -0.30 5.44 1.57 -1.82 -1.38 116.57 118.81 3i9v h LYS 86 Ca -0.44 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.11 3i9v h LYS 86 Cb 1.25 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 3i9v h LYS 86 CO 0.49 0.74 -0.34 -0.22 -0.57 0.00 0.00 179.45 179.55 3i9v h LYS 87 N 0.09 0.75 0.00 3.15 3.64 -1.92 -3.15 116.57 119.13 3i9v h LYS 87 Ca -0.01 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3i9v h LYS 87 Cb 1.17 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3i9v h LYS 87 CO 0.09 1.04 0.00 1.98 -2.27 0.00 0.00 179.45 180.29 3i9v h MET 88 N 0.51 0.00 0.32 1.90 4.05 -1.90 -3.37 114.93 116.44 3i9v h MET 88 Ca 0.04 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 3i9v h MET 88 Cb 0.92 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.72 3i9v h MET 88 CO 0.08 0.00 -0.15 0.00 0.23 0.00 0.00 176.91 177.07 3i9v h ALA 89 N 2.02 -0.43 -0.34 0.39 0.00 -1.21 -2.66 119.26 117.03 3i9v h ALA 89 Ca 0.00 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.89 3i9v h ALA 89 Cb 0.54 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3i9v h ALA 89 CO 0.00 -0.71 0.25 -1.00 0.00 0.00 0.00 179.25 177.80 3i9v h PRO 90 N -0.50 0.00 0.59 0.00 0.13 -1.76 -1.20 132.00 129.26 3i9v h PRO 90 Ca -0.04 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.06 3i9v h PRO 90 Cb 0.37 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.51 3i9v h PRO 90 CO 0.07 0.00 -0.28 0.28 -0.23 0.00 0.00 178.00 177.84 3i9v h VAL 91 N 0.00 0.00 -0.26 1.56 2.07 -1.71 -2.90 116.25 115.01 3i9v h VAL 91 Ca 0.16 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.63 3i9v h VAL 91 Cb 0.67 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3i9v h VAL 91 CO -0.00 0.00 0.45 -0.03 0.02 0.00 0.00 177.57 178.01 3i9v h MET 92 N -0.91 0.00 0.85 1.57 1.85 -1.18 0.37 114.93 117.47 3i9v h MET 92 Ca -0.08 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 58.97 3i9v h MET 92 Cb 0.60 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.64 3i9v h MET 92 CO 0.13 0.00 -0.43 -0.09 -0.40 0.00 0.00 176.91 176.12 3i9v h ARG 93 N 0.00 -1.12 -0.72 0.39 9.65 -1.07 -2.30 114.38 119.20 3i9v h ARG 93 Ca 0.12 0.08 -0.00 0.00 -1.10 0.00 0.00 59.98 59.08 3i9v h ARG 93 Cb 1.02 0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 29.82 3i9v h ARG 93 CO -0.00 -0.75 0.44 0.00 2.80 0.00 0.00 179.97 182.46 3i9v h ARG 94 N -1.17 0.97 -0.98 0.20 3.08 -0.76 -1.34 114.38 114.39 3i9v h ARG 94 Ca -0.12 -0.08 0.18 0.00 0.07 0.00 0.00 59.98 60.03 3i9v h ARG 94 Cb 0.90 -0.21 -0.10 0.00 0.08 0.00 0.00 29.97 30.64 3i9v h ARG 94 CO 0.18 0.68 0.58 0.28 -1.07 0.00 0.00 179.97 180.62 3i9v h VAL 95 N 0.98 0.72 0.01 2.04 2.07 -1.34 -1.30 116.25 119.44 3i9v h VAL 95 Ca 0.26 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3i9v h VAL 95 Cb -0.05 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.62 3i9v h VAL 95 CO -0.05 0.14 -0.00 -0.25 0.02 0.00 0.00 177.57 177.42 3i9v h TRP 96 N 0.76 -0.01 -0.25 1.57 7.01 -0.81 -3.32 115.95 120.90 3i9v h TRP 96 Ca 0.56 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.62 3i9v h TRP 96 Cb 0.83 0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 27.82 3i9v h TRP 96 CO -0.02 0.75 -0.25 0.93 -2.79 0.00 0.00 178.44 177.06 3i9v h GLU 97 N -0.79 -0.25 -2.40 2.65 5.08 -0.99 -3.12 114.58 114.77 3i9v h GLU 97 Ca -0.00 0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 58.07 3i9v h GLU 97 Cb 0.76 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 3i9v h GLU 97 CO 0.00 -0.17 0.86 1.04 -1.00 0.00 0.00 179.01 179.75 3i9v n GLN 98 N -5.38 2.27 -4.43 2.33 6.02 -0.51 -4.80 117.38 112.88 3i9v n GLN 98 Ca -0.01 -1.24 -0.21 0.00 -0.01 0.00 0.00 57.00 55.53 3i9v n GLN 98 Cb 0.30 -2.18 -0.10 0.00 1.02 0.00 0.00 30.24 29.27 3i9v n GLN 98 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3i9v s MET 99 N 1.57 1.59 0.00 -1.09 1.75 -1.18 -4.97 119.30 116.96 3i9v s MET 99 Ca 0.61 -1.85 0.00 0.00 -1.25 0.00 0.00 55.69 53.20 3i9v s MET 99 Cb 0.25 -0.95 0.00 0.00 2.84 0.00 0.00 34.83 36.98 3i9v s MET 99 CO -0.02 -0.10 0.00 -0.35 -0.65 0.00 0.00 175.02 173.90 3i9v n PRO 100 N -0.63 -1.81 -0.08 4.11 -0.04 -1.26 -5.04 135.00 130.26 3i9v n PRO 100 Ca -0.04 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.27 3i9v n PRO 100 Cb 0.65 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.06 3i9v n PRO 100 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3i9v n ASP 101 N -2.97 1.46 -4.55 3.54 -0.08 -1.26 -4.69 116.55 108.00 3i9v n ASP 101 Ca 0.00 0.25 -0.36 0.00 -1.51 0.00 0.00 54.79 53.17 3i9v n ASP 101 Cb 0.00 -0.58 -0.03 0.00 2.34 0.00 0.00 41.12 42.85 3i9v n ASP 101 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 3i9v s PRO 102 N -2.45 2.11 0.03 -0.67 0.02 -1.26 -4.85 135.00 127.94 3i9v s PRO 102 Ca -0.24 1.32 -0.06 0.00 0.02 0.00 0.00 61.00 62.05 3i9v s PRO 102 Cb 0.08 -4.58 -0.01 0.00 0.02 0.00 0.00 34.50 30.01 3i9v s PRO 102 CO 0.32 -3.29 0.10 -1.59 -0.33 0.00 0.00 177.00 172.21 3i9v s LYS 103 N 8.21 0.57 0.04 5.54 -2.85 -1.26 -4.82 119.74 125.17 3i9v s LYS 103 Ca 0.95 -0.70 0.01 0.00 -1.00 0.00 0.00 55.97 55.23 3i9v s LYS 103 Cb -0.17 0.23 -0.02 0.00 -2.06 0.00 0.00 37.83 35.81 3i9v s LYS 103 CO 0.25 -0.14 -0.05 -1.58 0.10 0.00 0.00 175.35 173.92 3i9v s TRP 104 N -2.43 0.50 -0.12 1.78 0.51 -1.26 -4.54 118.94 113.39 3i9v s TRP 104 Ca -0.06 -0.57 0.01 0.00 -2.12 0.00 0.00 56.10 53.36 3i9v s TRP 104 Cb -0.02 -0.32 -0.01 0.00 -0.81 0.00 0.00 33.47 32.31 3i9v s TRP 104 CO -0.04 -0.15 -0.16 0.08 -0.51 0.00 0.00 176.95 176.18 3i9v s VAL 105 N -1.70 2.84 -0.12 4.03 1.01 -1.26 -1.51 120.40 123.69 3i9v s VAL 105 Ca -0.10 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 3i9v s VAL 105 Cb -0.08 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3i9v s VAL 105 CO -0.01 0.54 0.04 -0.63 0.00 0.00 0.00 175.10 175.04 3i9v s ILE 106 N 0.24 4.63 -0.18 2.22 1.01 -0.29 -1.19 121.20 127.64 3i9v s ILE 106 Ca -0.10 -0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 3i9v s ILE 106 Cb -0.16 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 3i9v s ILE 106 CO 0.06 0.57 0.02 -0.94 0.00 0.00 0.00 174.94 174.64 3i9v s SER 107 N -0.53 5.20 -0.35 3.58 1.04 -0.71 -0.14 113.70 121.78 3i9v s SER 107 Ca 0.10 -0.05 -0.11 0.00 0.48 0.00 0.00 55.95 56.37 3i9v s SER 107 Cb -0.12 -1.88 0.01 0.00 0.10 0.00 0.00 66.02 64.13 3i9v s SER 107 CO 0.02 0.14 0.19 -0.32 0.98 0.00 0.00 173.24 174.25 3i9v s MET 108 N 0.54 3.10 0.16 4.02 1.75 0.10 -1.24 119.30 127.72 3i9v s MET 108 Ca 0.00 -0.89 0.00 0.00 -1.25 0.00 0.00 55.69 53.55 3i9v s MET 108 Cb -0.13 -3.68 0.00 0.00 2.84 0.00 0.00 34.83 33.86 3i9v s MET 108 CO 0.02 -0.56 0.00 0.41 -0.65 0.00 0.00 175.02 174.23 3i9v n GLY 109 N 5.01 -1.81 0.20 2.11 0.00 0.10 -3.91 105.19 106.88 3i9v n GLY 109 Ca -0.13 -1.36 -0.02 0.00 0.00 0.00 0.00 46.02 44.51 3i9v n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9v h ALA 110 N -0.56 0.43 -0.08 4.61 0.00 -1.33 -2.11 119.26 120.22 3i9v h ALA 110 Ca -0.01 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3i9v h ALA 110 Cb 0.55 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3i9v h ALA 110 CO 0.01 -0.41 -0.15 0.00 0.00 0.00 0.00 179.25 178.70 3i9v h ALA 112 N 1.73 0.03 -0.08 0.00 0.00 -1.64 -3.39 119.26 115.91 3i9v h ALA 112 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3i9v h ALA 112 Cb 0.34 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3i9v h ALA 112 CO 0.02 0.15 0.00 0.43 0.00 0.00 0.00 179.25 179.85 3i9v n SER 113 N -4.67 0.00 -1.50 0.00 7.64 -0.81 -1.78 113.62 112.50 3i9v n SER 113 Ca -0.08 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.79 3i9v n SER 113 Cb 0.26 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 3i9v n SER 113 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3i9v n SER 114 N -2.47 0.41 0.00 6.43 3.41 -0.32 -4.28 113.62 116.80 3i9v n SER 114 Ca 0.00 -0.75 0.11 0.00 -0.26 0.00 0.00 58.87 57.97 3i9v n SER 114 Cb 0.00 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 64.60 3i9v n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i9v n GLY 115 N 5.00 -0.73 7.00 5.00 0.00 -0.23 -4.12 105.19 117.11 3i9v n GLY 115 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3i9v n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9v n GLY 116 N 0.45 -0.13 0.00 -0.02 0.00 -1.12 -2.73 105.19 101.64 3i9v n GLY 116 Ca 0.16 -1.02 0.09 0.00 0.00 0.00 0.00 46.02 45.25 3i9v n GLY 116 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3i9v n MET 117 N 0.00 0.42 -3.47 1.61 0.00 -1.26 -4.40 117.12 110.02 3i9v n MET 117 Ca 0.00 0.05 -0.43 0.00 0.00 0.00 0.00 57.70 57.33 3i9v n MET 117 Cb 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 33.22 31.68 3i9v n MET 117 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3i9v s PHE 118 N -2.23 3.79 -0.70 3.17 0.08 -1.10 -4.99 117.98 116.00 3i9v s PHE 118 Ca 0.22 -2.45 -0.07 0.00 0.12 0.00 0.00 56.93 54.74 3i9v s PHE 118 Cb 0.12 -3.59 0.18 0.00 -0.57 0.00 0.00 43.02 39.16 3i9v s PHE 118 CO 0.22 -0.91 0.57 1.21 -0.10 0.00 0.00 175.22 176.21 3i9v s ASN 119 N 1.30 5.85 0.11 1.36 3.84 -1.26 -4.78 114.94 121.36 3i9v s ASN 119 Ca 0.22 -2.78 -0.19 0.00 0.21 0.00 0.00 52.86 50.32 3i9v s ASN 119 Cb -0.12 -2.00 0.07 0.00 -0.55 0.00 0.00 41.25 38.65 3i9v s ASN 119 CO -0.08 -0.45 0.91 -0.46 -2.79 0.00 0.00 177.10 174.22 3i9v n ASN 120 N 3.70 -1.33 0.32 -4.21 0.23 -1.26 -5.05 115.26 107.66 3i9v n ASN 120 Ca 0.10 -1.62 0.20 0.00 -0.53 0.00 0.00 54.58 52.73 3i9v n ASN 120 Cb 0.41 2.14 1.10 0.00 -2.08 0.00 0.00 39.78 41.35 3i9v n ASN 120 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 3i9v h TYR 121 N 1.82 0.00 -0.01 -2.53 -0.00 -2.05 -3.17 116.97 111.02 3i9v h TYR 121 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.52 3i9v h TYR 121 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.72 3i9v h TYR 121 CO 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 178.16 177.59 3i9v n ALA 122 N -2.14 3.75 -3.07 0.10 0.00 -1.26 -4.93 120.51 112.95 3i9v n ALA 122 Ca -0.03 -0.58 -0.23 0.00 0.00 0.00 0.00 53.44 52.60 3i9v n ALA 122 Cb 0.11 -0.69 -0.16 0.00 0.00 0.00 0.00 19.45 18.71 3i9v n ALA 122 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i9v s ILE 123 N -2.41 1.09 0.22 0.00 1.01 -1.20 -2.33 121.20 117.59 3i9v s ILE 123 Ca 0.13 -0.51 -0.30 0.00 0.00 0.00 0.00 60.65 59.97 3i9v s ILE 123 Cb 0.15 -0.96 -0.10 0.00 0.01 0.00 0.00 42.46 41.57 3i9v s ILE 123 CO 0.59 0.33 1.42 -0.69 0.00 0.00 0.00 174.94 176.59 3i9v s VAL 124 N 0.23 2.82 -2.11 2.92 1.01 -1.01 -4.71 120.40 119.55 3i9v s VAL 124 Ca -0.06 0.67 0.15 0.00 0.00 0.00 0.00 61.98 62.74 3i9v s VAL 124 Cb -0.11 -3.43 0.37 0.00 0.00 0.00 0.00 36.38 33.22 3i9v s VAL 124 CO 0.02 0.10 1.38 0.00 0.00 0.00 0.00 175.10 176.59 3i9v n GLN 125 N 2.65 1.77 0.00 2.72 1.13 -1.26 -4.33 117.38 120.07 3i9v n GLN 125 Ca 0.08 -1.19 0.00 0.00 -1.94 0.00 0.00 57.00 53.95 3i9v n GLN 125 Cb 0.41 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.43 3i9v n GLN 125 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3i9v n ASN 126 N 0.44 0.00 0.25 1.08 2.85 -1.26 -1.06 115.26 117.55 3i9v n ASN 126 Ca 0.14 0.00 0.14 0.00 -0.11 0.00 0.00 54.58 54.74 3i9v n ASN 126 Cb 0.31 0.00 0.72 0.00 1.24 0.00 0.00 39.78 42.05 3i9v n ASN 126 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 3i9v h VAL 127 N 0.00 0.00 0.00 3.44 2.07 -1.55 0.50 116.25 120.71 3i9v h VAL 127 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3i9v h VAL 127 Cb 0.00 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3i9v h VAL 127 CO 0.00 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 176.92 3i9v n ASP 128 N -2.54 0.00 0.23 0.57 2.03 -1.23 -0.67 116.55 114.94 3i9v n ASP 128 Ca -0.02 0.25 0.10 0.00 0.52 0.00 0.00 54.79 55.64 3i9v n ASP 128 Cb 0.21 -0.34 0.54 0.00 -0.72 0.00 0.00 41.12 40.81 3i9v n ASP 128 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3i9v h SER 129 N 0.00 0.00 0.00 1.67 0.02 -0.40 -3.35 113.55 111.49 3i9v h SER 129 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i9v h SER 129 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3i9v h SER 129 CO 0.00 0.22 -0.94 1.33 -1.14 0.00 0.00 176.83 176.30 3i9v n VAL 130 N -3.56 0.00 -3.83 2.27 0.24 -0.34 -5.06 118.33 108.05 3i9v n VAL 130 Ca -0.01 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.16 3i9v n VAL 130 Cb 0.37 -0.78 -0.14 0.00 -1.47 0.00 0.00 33.84 31.81 3i9v n VAL 130 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3i9v s VAL 131 N -1.94 -0.02 -0.36 3.34 -7.23 0.16 -5.00 120.40 109.35 3i9v s VAL 131 Ca 0.00 0.07 -0.29 0.00 -1.81 0.00 0.00 61.98 59.94 3i9v s VAL 131 Cb 0.00 -0.06 -0.08 0.00 0.56 0.00 0.00 36.38 36.80 3i9v s VAL 131 CO 0.00 0.03 2.29 -2.65 -0.31 0.00 0.00 175.10 174.46 3i9v n PRO 132 N 3.41 1.41 -2.88 4.82 -0.02 -1.26 -3.46 135.00 137.02 3i9v n PRO 132 Ca -0.17 0.31 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 3i9v n PRO 132 Cb 0.57 -3.02 -0.04 0.00 -0.02 0.00 0.00 33.50 30.99 3i9v n PRO 132 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i9v s VAL 133 N 9.13 4.87 -0.12 -1.45 1.01 -1.26 -4.08 120.40 128.50 3i9v s VAL 133 Ca 1.04 1.66 -0.18 0.00 0.00 0.00 0.00 61.98 64.50 3i9v s VAL 133 Cb -0.47 -4.15 -0.26 0.00 0.00 0.00 0.00 36.38 31.51 3i9v s VAL 133 CO 0.37 0.02 0.53 0.44 0.00 0.00 0.00 175.10 176.46 3i9v h ASP 134 N 7.32 0.28 -4.32 3.32 3.32 -1.52 -3.47 116.42 121.35 3i9v h ASP 134 Ca -0.29 -0.81 -0.48 0.00 0.02 0.00 0.00 57.03 55.47 3i9v h ASP 134 Cb 1.13 -0.09 -0.25 0.00 0.22 0.00 0.00 39.33 40.34 3i9v h ASP 134 CO 0.84 1.53 -0.80 -0.69 -1.72 0.00 0.00 179.24 178.39 3i9v s VAL 135 N -2.43 1.26 -0.10 -1.35 1.01 -1.11 -5.02 120.40 112.66 3i9v s VAL 135 Ca -0.21 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 60.70 3i9v s VAL 135 Cb 0.04 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 3i9v s VAL 135 CO 0.73 0.03 -0.20 -0.31 0.00 0.00 0.00 175.10 175.35 3i9v s TYR 136 N -0.88 2.65 -0.32 5.22 1.51 -1.26 -1.74 117.35 122.52 3i9v s TYR 136 Ca 0.03 -0.82 0.02 0.00 -1.01 0.00 0.00 57.07 55.29 3i9v s TYR 136 Cb -0.08 -1.74 0.08 0.00 -0.11 0.00 0.00 41.96 40.10 3i9v s TYR 136 CO 0.02 -0.29 0.01 0.54 -1.11 0.00 0.00 175.55 174.71 3i9v s VAL 137 N 0.24 2.44 0.62 0.71 0.11 -0.38 -4.98 120.40 119.17 3i9v s VAL 137 Ca -0.13 -1.96 -0.19 0.00 -2.93 0.00 0.00 61.98 56.77 3i9v s VAL 137 Cb -0.16 -2.61 -0.02 0.00 -1.53 0.00 0.00 36.38 32.05 3i9v s VAL 137 CO 0.07 -0.36 1.31 -2.16 -3.33 0.00 0.00 175.10 170.63 3i9v s PRO 138 N 1.04 2.68 0.00 1.54 0.04 -1.26 -0.72 135.00 138.31 3i9v s PRO 138 Ca 0.02 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.17 3i9v s PRO 138 Cb -0.20 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3i9v s PRO 138 CO -0.06 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 175.88 3i9v n GLY 139 N 0.86 4.23 2.53 0.56 0.00 -1.26 -4.61 105.19 107.50 3i9v n GLY 139 Ca 0.15 -1.13 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 3i9v n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9v s PRO 141 N 0.16 2.51 0.27 0.00 0.04 -1.26 -5.07 135.00 131.65 3i9v s PRO 141 Ca 0.32 -0.80 -0.30 0.00 0.04 0.00 0.00 61.00 60.27 3i9v s PRO 141 Cb 0.10 -2.48 -0.09 0.00 0.04 0.00 0.00 34.50 32.06 3i9v s PRO 141 CO -0.15 -0.74 1.04 -1.25 0.04 0.00 0.00 177.00 175.94 3i9v s PRO 142 N -4.78 4.71 0.77 0.56 0.04 -1.25 -4.98 135.00 130.08 3i9v s PRO 142 Ca 0.58 1.68 -0.17 0.00 0.04 0.00 0.00 61.00 63.13 3i9v s PRO 142 Cb -0.10 -3.21 -0.11 0.00 0.04 0.00 0.00 34.50 31.12 3i9v s PRO 142 CO 0.39 0.32 -0.16 -2.13 0.04 0.00 0.00 177.00 175.46 3i9v n ARG 143 N 1.27 0.05 -0.22 4.56 0.63 -1.26 -4.82 116.66 116.88 3i9v n ARG 143 Ca -0.01 0.03 -0.07 0.00 -0.92 0.00 0.00 57.85 56.88 3i9v n ARG 143 Cb 0.46 -1.28 0.04 0.00 0.45 0.00 0.00 32.46 32.12 3i9v n ARG 143 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 3i9v h PRO 144 N -0.57 0.90 0.00 -0.14 0.11 -1.94 -2.77 132.00 127.60 3i9v h PRO 144 Ca -0.43 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.54 3i9v h PRO 144 Cb 1.36 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3i9v h PRO 144 CO 0.35 0.73 0.00 0.39 -0.21 0.00 0.00 178.00 179.26 3i9v n GLU 145 N -4.49 0.05 -0.02 1.05 4.71 -1.26 -2.03 120.64 118.65 3i9v n GLU 145 Ca 0.04 0.26 -0.12 0.00 -0.01 0.00 0.00 57.16 57.33 3i9v n GLU 145 Cb 0.13 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 28.92 3i9v n GLU 145 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i9v n ALA 146 N -1.44 1.34 0.25 0.62 0.00 -1.05 -3.57 120.51 116.67 3i9v n ALA 146 Ca 0.04 -0.77 0.13 0.00 0.00 0.00 0.00 53.44 52.84 3i9v n ALA 146 Cb 0.13 -0.75 0.64 0.00 0.00 0.00 0.00 19.45 19.48 3i9v n ALA 146 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i9v h LEU 147 N 0.02 0.00 -0.00 0.00 7.12 -1.38 -0.67 115.31 120.40 3i9v h LEU 147 Ca -0.34 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.67 3i9v h LEU 147 Cb 2.03 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 42.16 3i9v h LEU 147 CO 0.07 0.13 0.00 0.40 -0.13 0.00 0.00 178.44 178.92 3i9v h ILE 148 N 0.00 1.20 -0.08 4.05 5.03 -1.61 -2.80 117.51 123.30 3i9v h ILE 148 Ca -0.00 -0.60 0.02 0.00 -0.12 0.00 0.00 64.86 64.17 3i9v h ILE 148 Cb 0.52 1.60 -0.00 0.00 -3.03 0.00 0.00 36.82 35.91 3i9v h ILE 148 CO 0.02 0.16 0.06 0.22 -0.68 0.00 0.00 178.15 177.92 3i9v h TYR 149 N -0.25 0.00 -0.64 1.37 5.03 -1.48 -2.16 116.97 118.84 3i9v h TYR 149 Ca 0.00 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.24 3i9v h TYR 149 Cb 0.25 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.51 3i9v h TYR 149 CO 0.01 0.00 0.13 0.00 -1.32 0.00 0.00 178.16 176.98 3i9v h ALA 150 N 1.96 0.85 0.00 1.82 0.00 -0.88 -2.43 119.26 120.58 3i9v h ALA 150 Ca 0.04 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3i9v h ALA 150 Cb 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3i9v h ALA 150 CO -0.00 0.58 -0.80 -0.39 0.00 0.00 0.00 179.25 178.64 3i9v h VAL 151 N 0.96 0.21 0.00 0.00 -1.51 -1.28 -2.79 116.25 111.85 3i9v h VAL 151 Ca 0.20 -1.35 -0.03 0.00 -1.23 0.00 0.00 66.70 64.29 3i9v h VAL 151 Cb 0.40 1.83 -0.00 0.00 -2.13 0.00 0.00 31.29 31.39 3i9v h VAL 151 CO 0.01 0.12 -0.12 0.24 -1.23 0.00 0.00 177.57 176.58 3i9v h MET 152 N 0.00 0.00 0.21 5.19 2.86 -1.29 0.32 114.93 122.22 3i9v h MET 152 Ca -0.03 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3i9v h MET 152 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 3i9v h MET 152 CO 0.02 0.12 -0.10 0.37 1.06 0.00 0.00 176.91 178.38 3i9v h GLN 153 N 0.00 -0.27 0.00 1.72 5.75 -1.28 -1.98 115.11 119.06 3i9v h GLN 153 Ca -0.00 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3i9v h GLN 153 Cb 0.42 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.03 3i9v h GLN 153 CO 0.02 -0.18 0.11 1.25 -2.65 0.00 0.00 178.83 177.38 3i9v h LEU 154 N -0.82 0.00 0.26 -2.39 5.85 -1.43 0.42 115.31 117.20 3i9v h LEU 154 Ca -0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3i9v h LEU 154 Cb 0.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3i9v h LEU 154 CO 0.05 0.00 -0.13 -0.61 -0.34 0.00 0.00 178.44 177.41 3i9v h GLN 155 N 0.00 -0.34 0.00 1.25 4.15 -0.36 -2.77 115.11 117.04 3i9v h GLN 155 Ca 0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3i9v h GLN 155 Cb 0.22 0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.99 3i9v h GLN 155 CO 0.00 -0.23 0.00 1.17 -1.93 0.00 0.00 178.83 177.84 3i9v n LYS 156 N -4.53 0.13 -0.06 1.69 0.00 -0.55 -2.19 118.16 112.65 3i9v n LYS 156 Ca -0.04 0.12 -0.14 0.00 0.00 0.00 0.00 58.31 58.25 3i9v n LYS 156 Cb 0.14 -1.50 -0.14 0.00 0.00 0.00 0.00 35.03 33.53 3i9v n LYS 156 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3i9v n LYS 157 N -1.15 0.68 0.19 1.64 4.81 0.03 -1.71 118.16 122.65 3i9v n LYS 157 Ca 0.03 0.18 0.13 0.00 -0.87 0.00 0.00 58.31 57.78 3i9v n LYS 157 Cb 0.03 -1.64 0.35 0.00 0.02 0.00 0.00 35.03 33.79 3i9v n LYS 157 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 3i9v h VAL 158 N 0.02 0.00 0.00 3.15 -1.51 -1.14 0.94 116.25 117.71 3i9v h VAL 158 Ca -0.45 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.32 3i9v h VAL 158 Cb 2.06 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 32.89 3i9v h VAL 158 CO 0.03 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.91 3i9v n ARG 159 N -2.77 0.03 -2.69 5.19 1.74 -1.05 -4.56 116.66 112.55 3i9v n ARG 159 Ca 0.04 0.19 -0.11 0.00 -0.77 0.00 0.00 57.85 57.20 3i9v n ARG 159 Cb 0.44 -1.54 0.02 0.00 -1.02 0.00 0.00 32.46 30.36 3i9v n ARG 159 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i9v n GLY 160 N 0.50 0.13 0.65 -0.13 0.00 0.33 -4.84 105.19 101.83 3i9v n GLY 160 Ca 0.05 -0.33 0.05 0.00 0.00 0.00 0.00 46.02 45.78 3i9v n GLY 160 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i9v n GLN 161 N -2.36 1.75 -4.56 1.61 7.27 -0.69 -4.88 117.38 115.52 3i9v n GLN 161 Ca -0.04 -3.03 -0.22 0.00 0.07 0.00 0.00 57.00 53.77 3i9v n GLN 161 Cb 0.55 -1.67 -0.16 0.00 2.41 0.00 0.00 30.24 31.37 3i9v n GLN 161 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3i9v s ALA 162 N -3.09 1.11 0.12 1.69 0.00 -1.24 -4.90 121.76 115.46 3i9v s ALA 162 Ca 0.39 -0.47 0.07 0.00 0.00 0.00 0.00 51.96 51.94 3i9v s ALA 162 Cb 0.35 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 3i9v s ALA 162 CO -0.01 0.20 -0.16 0.71 0.00 0.00 0.00 175.76 176.50 3i9v s TYR 163 N 0.10 1.56 0.36 0.00 1.51 -1.26 0.16 117.35 119.78 3i9v s TYR 163 Ca -0.03 -0.50 -0.06 0.00 -1.01 0.00 0.00 57.07 55.48 3i9v s TYR 163 Cb -0.09 -0.82 0.08 0.00 -0.11 0.00 0.00 41.96 41.02 3i9v s TYR 163 CO 0.01 0.19 0.46 0.27 -1.11 0.00 0.00 175.55 175.37 3i9v n ASN 164 N 0.66 -0.20 0.05 2.29 0.23 -0.85 -4.94 115.26 112.50 3i9v n ASN 164 Ca -0.16 -1.10 0.12 0.00 -0.53 0.00 0.00 54.58 52.91 3i9v n ASN 164 Cb 0.56 -0.36 0.48 0.00 -2.08 0.00 0.00 39.78 38.39 3i9v n ASN 164 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3i9v n GLU 165 N -2.11 0.10 0.15 -3.83 -0.58 -1.26 -2.62 120.64 110.49 3i9v n GLU 165 Ca 0.06 0.16 0.05 0.00 -0.42 0.00 0.00 57.16 57.01 3i9v n GLU 165 Cb 0.20 -1.63 0.06 0.00 -0.57 0.00 0.00 31.44 29.50 3i9v n GLU 165 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i9v h ARG 166 N 0.00 0.00 0.00 3.49 3.08 -2.06 -3.47 114.38 115.42 3i9v h ARG 166 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i9v h ARG 166 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3i9v h ARG 166 CO 0.00 0.33 0.00 0.41 -1.07 0.00 0.00 179.97 179.64 3i9v n GLY 167 N 1.20 1.09 3.75 0.04 0.00 -1.08 -5.11 105.19 105.08 3i9v n GLY 167 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3i9v n GLY 167 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9v s GLU 168 N -0.19 4.76 0.21 1.61 2.02 -1.26 -4.85 118.70 121.00 3i9v s GLU 168 Ca 0.00 1.64 -0.30 0.00 0.02 0.00 0.00 54.97 56.33 3i9v s GLU 168 Cb 0.00 -3.24 -0.09 0.00 0.10 0.00 0.00 34.13 30.91 3i9v s GLU 168 CO 0.00 0.38 1.19 0.50 0.02 0.00 0.00 175.26 177.34 3i9v s ARG 169 N -1.31 4.51 -0.15 1.61 3.52 -1.26 -2.01 118.95 123.86 3i9v s ARG 169 Ca 0.43 1.88 -0.06 0.00 -0.13 0.00 0.00 55.73 57.85 3i9v s ARG 169 Cb -0.29 -3.22 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 3i9v s ARG 169 CO 0.36 -0.03 0.07 -0.51 -0.81 0.00 0.00 175.30 174.38 3i9v s LEU 170 N -0.59 3.93 0.08 -0.88 1.43 0.12 -4.94 118.68 117.83 3i9v s LEU 170 Ca 0.51 0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.49 3i9v s LEU 170 Cb -0.33 -1.97 -0.10 0.00 0.03 0.00 0.00 46.19 43.83 3i9v s LEU 170 CO 0.39 0.26 1.90 -2.16 0.23 0.00 0.00 176.35 176.97 3i9v s PRO 171 N -0.17 4.14 0.21 1.29 0.04 -1.26 -4.70 135.00 134.54 3i9v s PRO 171 Ca 0.08 2.60 -0.10 0.00 0.04 0.00 0.00 61.00 63.62 3i9v s PRO 171 Cb -0.12 -3.89 0.28 0.00 0.04 0.00 0.00 34.50 30.81 3i9v s PRO 171 CO 0.01 -0.90 1.71 -1.35 0.04 0.00 0.00 177.00 176.51 3i9v h PRO 172 N 9.63 0.26 -6.30 0.56 0.11 -1.91 -3.40 132.00 130.95 3i9v h PRO 172 Ca -0.48 -0.02 -0.68 0.00 0.11 0.00 0.00 66.00 64.93 3i9v h PRO 172 Cb 1.23 -0.06 -0.20 0.00 0.11 0.00 0.00 31.00 32.08 3i9v h PRO 172 CO 0.94 0.17 -0.73 0.08 -0.21 0.00 0.00 178.00 178.26 3i9v s VAL 173 N -6.11 3.42 -1.31 3.15 1.01 -1.26 -4.49 120.40 114.81 3i9v s VAL 173 Ca -0.13 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 3i9v s VAL 173 Cb 0.17 -2.43 0.13 0.00 0.00 0.00 0.00 36.38 34.26 3i9v s VAL 173 CO 0.74 0.48 1.87 0.00 0.00 0.00 0.00 175.10 178.18 3i9v n ALA 174 N 1.89 5.01 -1.70 5.51 0.00 -1.26 -5.13 120.51 124.83 3i9v n ALA 174 Ca -0.16 -4.18 0.00 0.00 0.00 0.00 0.00 53.44 49.10 3i9v n ALA 174 Cb 0.52 -3.16 0.00 0.00 0.00 0.00 0.00 19.45 16.81 3i9v n ALA 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50