#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4s s TRP 39 N 0.00 2.54 0.01 0.00 -0.00 -1.26 -5.02 118.94 115.21 3i4s s TRP 39 Ca 0.00 1.30 -0.01 0.00 -0.00 0.00 0.00 56.10 57.39 3i4s s TRP 39 Cb 0.00 -3.86 -0.01 0.00 -0.00 0.00 0.00 33.47 29.60 3i4s s TRP 39 CO 0.00 -2.74 0.00 -1.54 -0.00 0.00 0.00 176.95 172.67 3i4s s SER 40 N -0.56 0.15 0.19 5.86 1.04 -1.26 -5.09 113.70 114.03 3i4s s SER 40 Ca 0.60 -0.34 -0.30 0.00 0.48 0.00 0.00 55.95 56.39 3i4s s SER 40 Cb -0.42 0.10 -0.08 0.00 0.10 0.00 0.00 66.02 65.72 3i4s s SER 40 CO 0.55 -0.24 1.23 -0.22 0.98 0.00 0.00 173.24 175.53 3i4s s LEU 41 N -1.11 4.44 0.23 2.42 2.96 -1.26 -4.97 118.68 121.39 3i4s s LEU 41 Ca -0.12 2.27 -0.31 0.00 -0.22 0.00 0.00 54.13 55.75 3i4s s LEU 41 Cb -0.07 -3.61 -0.14 0.00 0.50 0.00 0.00 46.19 42.87 3i4s s LEU 41 CO -0.00 -0.41 1.36 1.57 -1.32 0.00 0.00 176.35 177.55 3i4s n HIS 42 N 2.56 2.04 -0.27 5.38 -0.00 -1.26 -4.78 115.22 118.89 3i4s n HIS 42 Ca 0.05 0.47 0.15 0.00 -0.00 0.00 0.00 57.72 58.39 3i4s n HIS 42 Cb 0.44 -2.43 0.42 0.00 -0.00 0.00 0.00 29.99 28.42 3i4s n HIS 42 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3i4s h SER 43 N 4.01 0.59 -0.34 0.26 4.64 -1.99 0.01 113.55 120.73 3i4s h SER 43 Ca -0.45 0.05 -0.15 0.00 -0.47 0.00 0.00 61.79 60.77 3i4s h SER 43 Cb 1.29 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3i4s h SER 43 CO 0.74 0.26 -0.39 -0.09 -0.87 0.00 0.00 176.83 176.49 3i4s h ARG 44 N 0.60 0.86 -0.58 4.77 9.65 -1.99 -1.32 114.38 126.37 3i4s h ARG 44 Ca 0.48 -0.47 -0.03 0.00 -1.10 0.00 0.00 59.98 58.86 3i4s h ARG 44 Cb 0.91 0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.49 3i4s h ARG 44 CO -0.22 1.12 0.26 -0.07 2.80 0.00 0.00 179.97 183.85 3i4s h LEU 45 N 0.66 0.79 -0.66 3.80 3.38 -1.71 -2.11 115.31 119.46 3i4s h LEU 45 Ca 0.05 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3i4s h LEU 45 Cb 0.98 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 3i4s h LEU 45 CO 0.09 0.72 0.40 0.50 0.09 0.00 0.00 178.44 180.25 3i4s h LYS 46 N 0.80 0.90 -0.49 1.13 3.64 -0.93 -2.23 116.57 119.39 3i4s h LYS 46 Ca 0.20 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3i4s h LYS 46 Cb 0.16 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3i4s h LYS 46 CO -0.02 0.64 0.16 1.49 -2.27 0.00 0.00 179.45 179.44 3i4s h GLU 47 N 0.90 0.71 -0.53 1.90 4.57 -1.08 -3.19 114.58 117.87 3i4s h GLU 47 Ca 0.24 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 3i4s h GLU 47 Cb -0.03 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 3i4s h GLU 47 CO -0.04 0.62 0.00 -0.25 -1.18 0.00 0.00 179.01 178.15 3i4s n ASP 48 N -4.32 3.63 -4.32 1.04 8.00 -0.81 -4.98 116.55 114.80 3i4s n ASP 48 Ca 0.04 -1.99 -0.16 0.00 0.71 0.00 0.00 54.79 53.38 3i4s n ASP 48 Cb 0.18 -0.34 -0.10 0.00 -0.02 0.00 0.00 41.12 40.83 3i4s n ASP 48 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3i4s s THR 49 N -1.31 0.65 -0.08 -3.53 -4.23 -0.88 -0.39 115.64 105.86 3i4s s THR 49 Ca 0.43 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.98 3i4s s THR 49 Cb 0.24 -2.57 -0.00 0.00 1.34 0.00 0.00 72.50 71.51 3i4s s THR 49 CO 0.32 -0.08 -0.24 -0.63 -0.54 0.00 0.00 174.62 173.46 3i4s s ILE 50 N -3.69 2.00 -0.18 2.99 1.01 0.16 -4.85 121.20 118.64 3i4s s ILE 50 Ca 0.35 -1.00 -0.29 0.00 0.00 0.00 0.00 60.65 59.71 3i4s s ILE 50 Cb 0.08 -1.72 0.00 0.00 0.01 0.00 0.00 42.46 40.83 3i4s s ILE 50 CO 0.12 0.55 1.04 -0.62 0.00 0.00 0.00 174.94 176.04 3i4s s ASP 51 N 0.20 7.14 -0.01 3.58 -1.08 -1.26 -0.84 116.67 124.41 3i4s s ASP 51 Ca -0.14 1.46 0.09 0.00 -0.52 0.00 0.00 52.55 53.44 3i4s s ASP 51 Cb -0.16 -2.55 -0.13 0.00 -1.46 0.00 0.00 42.92 38.62 3i4s s ASP 51 CO 0.07 -0.59 0.26 2.30 0.52 0.00 0.00 175.17 177.73 3i4s n ILE 52 N 5.04 0.00 -1.81 4.11 -5.35 -0.58 -4.96 119.36 115.80 3i4s n ILE 52 Ca 0.11 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 3i4s n ILE 52 Cb 0.47 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.90 3i4s n ILE 52 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i4s n GLY 53 N 1.72 -2.25 3.09 3.28 0.00 -1.12 -5.00 105.19 104.90 3i4s n GLY 53 Ca -0.01 -1.28 -0.25 0.00 0.00 0.00 0.00 46.02 44.48 3i4s n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i4s s ASP 54 N -1.81 1.96 0.60 1.61 1.01 -1.26 -0.55 116.67 118.23 3i4s s ASP 54 Ca 0.00 -0.32 0.02 0.00 0.71 0.00 0.00 52.55 52.96 3i4s s ASP 54 Cb 0.00 -0.66 0.07 0.00 1.01 0.00 0.00 42.92 43.34 3i4s s ASP 54 CO 0.00 0.11 0.83 -0.76 0.21 0.00 0.00 175.17 175.56 3i4s s LEU 55 N 0.24 3.19 0.25 1.23 1.43 0.61 -4.98 118.68 120.67 3i4s s LEU 55 Ca -0.07 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 52.72 3i4s s LEU 55 Cb -0.13 -2.39 0.48 0.00 0.03 0.00 0.00 46.19 44.18 3i4s s LEU 55 CO 0.03 -1.36 1.77 -0.65 0.23 0.00 0.00 176.35 176.36 3i4s h PRO 56 N -0.05 0.61 0.00 1.29 0.11 -2.00 -3.28 132.00 128.67 3i4s h PRO 56 Ca -0.38 -0.04 -0.28 0.00 0.11 0.00 0.00 66.00 65.41 3i4s h PRO 56 Cb 1.28 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 3i4s h PRO 56 CO 0.46 0.40 -1.62 -0.11 -0.21 0.00 0.00 178.00 176.92 3i4s n LEU 57 N -4.86 1.89 -4.74 2.35 7.94 -1.26 -4.96 117.00 113.36 3i4s n LEU 57 Ca 0.15 0.41 -0.35 0.00 -1.11 0.00 0.00 56.01 55.11 3i4s n LEU 57 Cb 0.38 -0.90 -0.08 0.00 0.53 0.00 0.00 43.42 43.35 3i4s n LEU 57 CO 0.22 0.29 -0.27 -0.44 -1.11 0.00 0.00 177.39 176.08 3i4s s SER 58 N -6.94 5.52 0.20 1.96 0.01 -1.24 -0.90 113.70 112.31 3i4s s SER 58 Ca -0.31 0.21 -0.30 0.00 1.31 0.00 0.00 55.95 56.86 3i4s s SER 58 Cb 0.09 -1.61 -0.08 0.00 0.21 0.00 0.00 66.02 64.62 3i4s s SER 58 CO 0.52 0.37 1.11 -0.75 0.41 0.00 0.00 173.24 174.90 3i4s s LYS 59 N -1.04 4.59 -0.21 12.44 2.20 -0.01 -0.28 119.74 137.43 3i4s s LYS 59 Ca 0.15 1.75 -0.06 0.00 -0.36 0.00 0.00 55.97 57.45 3i4s s LYS 59 Cb -0.12 -3.25 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 3i4s s LYS 59 CO 0.04 0.09 0.04 0.08 -0.36 0.00 0.00 175.35 175.24 3i4s s VAL 60 N -0.42 4.23 0.08 4.02 1.01 0.29 -0.61 120.40 129.00 3i4s s VAL 60 Ca 0.49 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 62.31 3i4s s VAL 60 Cb -0.30 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 3i4s s VAL 60 CO 0.36 0.40 -0.15 -0.76 0.00 0.00 0.00 175.10 174.95 3i4s s LEU 61 N 1.11 2.29 -0.20 3.92 1.43 -0.40 -1.53 118.68 125.29 3i4s s LEU 61 Ca 0.03 -0.64 -0.06 0.00 -1.03 0.00 0.00 54.13 52.43 3i4s s LEU 61 Cb -0.14 -0.59 -0.03 0.00 0.03 0.00 0.00 46.19 45.46 3i4s s LEU 61 CO 0.02 -0.05 0.04 -0.69 0.23 0.00 0.00 176.35 175.90 3i4s s VAL 62 N -1.28 4.39 0.21 -1.59 1.01 -0.02 -0.93 120.40 122.19 3i4s s VAL 62 Ca -0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 3i4s s VAL 62 Cb -0.10 -2.99 -0.09 0.00 0.00 0.00 0.00 36.38 33.19 3i4s s VAL 62 CO 0.03 0.42 1.40 -0.63 0.00 0.00 0.00 175.10 176.32 3i4s s ILE 63 N 0.83 2.92 -1.04 2.22 -1.09 0.11 -0.67 121.20 124.48 3i4s s ILE 63 Ca 0.02 0.74 -0.09 0.00 -2.23 0.00 0.00 60.65 59.09 3i4s s ILE 63 Cb -0.14 -3.47 -0.07 0.00 -1.58 0.00 0.00 42.46 37.20 3i4s s ILE 63 CO 0.02 0.10 2.23 0.29 -1.23 0.00 0.00 174.94 176.35 3i4s n LYS 64 N 2.77 2.30 -3.34 2.79 5.02 0.48 -4.61 118.16 123.57 3i4s n LYS 64 Ca 0.08 -1.70 -0.10 0.00 -2.02 0.00 0.00 58.31 54.56 3i4s n LYS 64 Cb 0.41 -2.63 -0.07 0.00 -0.02 0.00 0.00 35.03 32.72 3i4s n LYS 64 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i4s s ASP 65 N 3.44 0.49 0.00 4.39 -1.08 -1.25 -4.66 116.67 117.99 3i4s s ASP 65 Ca 0.48 -0.15 0.18 0.00 -0.52 0.00 0.00 52.55 52.54 3i4s s ASP 65 Cb 0.12 1.03 1.05 0.00 -1.46 0.00 0.00 42.92 43.66 3i4s s ASP 65 CO -0.02 -0.33 1.65 0.00 0.52 0.00 0.00 175.17 176.99 3i4s n ALA 66 N 5.35 2.56 0.08 3.66 0.00 -0.04 -3.45 120.51 128.67 3i4s n ALA 66 Ca -0.02 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.34 3i4s n ALA 66 Cb 0.49 -1.29 0.39 0.00 0.00 0.00 0.00 19.45 19.05 3i4s n ALA 66 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3i4s h ASN 67 N 0.00 0.32 -4.52 0.00 2.35 -1.93 -3.44 115.58 108.36 3i4s h ASN 67 Ca 0.00 -0.05 -0.19 0.00 -0.55 0.00 0.00 56.30 55.52 3i4s h ASN 67 Cb 0.00 -0.08 -0.23 0.00 0.05 0.00 0.00 38.32 38.05 3i4s h ASN 67 CO 0.00 0.39 -0.66 -0.31 -1.65 0.00 0.00 177.43 175.19 3i4s s TYR 68 N -4.97 0.12 -0.40 1.19 1.51 -1.22 -4.66 117.35 108.91 3i4s s TYR 68 Ca -0.07 -0.24 -0.28 0.00 -1.01 0.00 0.00 57.07 55.47 3i4s s TYR 68 Cb 0.16 -0.09 -0.02 0.00 -0.11 0.00 0.00 41.96 41.90 3i4s s TYR 68 CO 0.74 -0.14 1.77 -2.14 -1.11 0.00 0.00 175.55 174.66 3i4s s PRO 69 N -0.90 3.20 -0.10 -1.71 0.02 -1.26 -4.86 135.00 129.40 3i4s s PRO 69 Ca -0.10 1.18 -0.02 0.00 0.02 0.00 0.00 61.00 62.09 3i4s s PRO 69 Cb -0.06 -4.22 0.04 0.00 0.02 0.00 0.00 34.50 30.28 3i4s s PRO 69 CO -0.00 -2.02 0.03 -0.46 -0.33 0.00 0.00 177.00 174.21 3i4s s TRP 70 N 7.22 0.59 0.24 6.54 -0.11 -1.26 -1.13 118.94 131.03 3i4s s TRP 70 Ca 0.75 -0.25 0.10 0.00 1.22 0.00 0.00 56.10 57.91 3i4s s TRP 70 Cb -0.19 -0.78 -0.04 0.00 -1.50 0.00 0.00 33.47 30.95 3i4s s TRP 70 CO 0.31 -0.38 -0.06 -0.51 -4.62 0.00 0.00 176.95 171.69 3i4s s LEU 71 N 2.00 3.05 0.02 5.86 1.43 0.21 -0.71 118.68 130.53 3i4s s LEU 71 Ca 0.04 -0.67 0.08 0.00 -1.03 0.00 0.00 54.13 52.54 3i4s s LEU 71 Cb -0.14 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 3i4s s LEU 71 CO -0.06 0.04 -0.24 -0.76 0.23 0.00 0.00 176.35 175.56 3i4s s LEU 72 N -3.38 2.11 -0.20 1.79 1.43 -0.11 -0.87 118.68 119.46 3i4s s LEU 72 Ca 0.29 -0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 52.83 3i4s s LEU 72 Cb -0.07 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 3i4s s LEU 72 CO 0.18 0.26 0.02 -0.76 0.23 0.00 0.00 176.35 176.27 3i4s s LEU 73 N -0.93 3.39 -0.35 1.79 1.43 -0.27 -1.28 118.68 122.46 3i4s s LEU 73 Ca 0.10 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 3i4s s LEU 73 Cb -0.09 -1.86 0.10 0.00 0.03 0.00 0.00 46.19 44.37 3i4s s LEU 73 CO 0.01 0.08 0.06 -0.69 0.23 0.00 0.00 176.35 176.04 3i4s s VAL 74 N 0.88 2.27 0.16 -1.59 1.01 0.22 -0.68 120.40 122.67 3i4s s VAL 74 Ca 0.02 -2.38 -0.34 0.00 0.00 0.00 0.00 61.98 59.28 3i4s s VAL 74 Cb -0.14 -2.67 -0.15 0.00 0.00 0.00 0.00 36.38 33.42 3i4s s VAL 74 CO 0.02 -0.61 1.42 -2.65 0.00 0.00 0.00 175.10 173.28 3i4s n PRO 75 N 4.21 1.71 -1.58 2.72 -0.02 -1.26 -0.83 135.00 139.95 3i4s n PRO 75 Ca 0.04 0.62 -0.29 0.00 -2.02 0.00 0.00 63.50 61.84 3i4s n PRO 75 Cb 0.42 -2.29 -0.05 0.00 -0.02 0.00 0.00 33.50 31.55 3i4s n PRO 75 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i4s n ARG 76 N 2.67 2.92 -3.83 -0.52 1.74 -0.08 -4.85 116.66 114.71 3i4s n ARG 76 Ca 0.16 -2.54 -0.36 0.00 -0.77 0.00 0.00 57.85 54.34 3i4s n ARG 76 Cb 0.26 -2.26 -0.13 0.00 -1.02 0.00 0.00 32.46 29.31 3i4s n ARG 76 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3i4s s ARG 77 N -1.40 3.36 0.21 5.56 3.52 -1.26 -4.82 118.95 124.12 3i4s s ARG 77 Ca 0.58 -0.65 -0.32 0.00 -0.13 0.00 0.00 55.73 55.21 3i4s s ARG 77 Cb 0.33 -3.18 -0.14 0.00 -1.56 0.00 0.00 34.95 30.40 3i4s s ARG 77 CO -0.18 -0.26 1.44 -2.30 -0.81 0.00 0.00 175.30 173.18 3i4s n PRO 78 N 4.84 1.98 -0.95 5.12 -0.02 -1.26 -2.55 135.00 142.17 3i4s n PRO 78 Ca -0.17 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3i4s n PRO 78 Cb 0.50 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3i4s n PRO 78 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3i4s n ASP 79 N 2.48 -0.19 -4.71 2.55 8.00 -1.26 -5.00 116.55 118.42 3i4s n ASP 79 Ca 0.13 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.21 3i4s n ASP 79 Cb 0.30 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3i4s n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i4s s ALA 80 N -3.58 3.72 0.01 2.24 0.00 -1.06 -4.89 121.76 118.21 3i4s s ALA 80 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3i4s s ALA 80 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.51 3i4s s ALA 80 CO 0.00 -0.77 0.00 0.28 0.00 0.00 0.00 175.76 175.27 3i4s n VAL 81 N 4.05 0.07 -4.03 0.00 0.31 -1.26 -1.04 118.33 116.43 3i4s n VAL 81 Ca 0.13 0.02 -0.23 0.00 -0.01 0.00 0.00 64.34 64.25 3i4s n VAL 81 Cb 0.40 -1.48 -0.04 0.00 -0.91 0.00 0.00 33.84 31.81 3i4s n VAL 81 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3i4s s GLU 82 N -2.00 3.19 0.28 5.55 0.41 -1.26 -3.92 118.70 120.95 3i4s s GLU 82 Ca 0.00 -0.83 0.01 0.00 -0.41 0.00 0.00 54.97 53.74 3i4s s GLU 82 Cb 0.00 -2.77 0.53 0.00 -1.78 0.00 0.00 34.13 30.11 3i4s s GLU 82 CO 0.00 0.45 1.85 0.82 -0.49 0.00 0.00 175.26 177.89 3i4s h ILE 83 N 1.54 0.96 0.00 -1.63 2.04 -1.97 -1.25 117.51 117.20 3i4s h ILE 83 Ca -0.49 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.01 3i4s h ILE 83 Cb 1.22 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3i4s h ILE 83 CO 0.63 0.19 0.00 2.30 0.00 0.00 0.00 178.15 181.27 3i4s n ILE 84 N -4.58 1.35 0.20 -0.67 -5.35 -1.26 -1.56 119.36 107.49 3i4s n ILE 84 Ca 0.18 0.34 0.08 0.00 -0.27 0.00 0.00 62.75 63.08 3i4s n ILE 84 Cb 0.31 -1.19 0.36 0.00 -1.74 0.00 0.00 39.64 37.38 3i4s n ILE 84 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3i4s h ASP 85 N 0.00 0.00 -4.09 7.28 3.32 -1.62 -3.44 116.42 117.87 3i4s h ASP 85 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 3i4s h ASP 85 Cb 0.15 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.74 3i4s h ASP 85 CO 0.00 0.28 0.40 -0.76 -1.72 0.00 0.00 179.24 177.44 3i4s s LEU 86 N -6.74 3.78 0.97 1.55 1.43 -0.60 -4.97 118.68 114.09 3i4s s LEU 86 Ca 0.01 2.00 -0.14 0.00 -1.03 0.00 0.00 54.13 54.98 3i4s s LEU 86 Cb 0.10 -4.56 0.17 0.00 0.03 0.00 0.00 46.19 41.92 3i4s s LEU 86 CO 0.66 -0.96 1.15 1.51 0.23 0.00 0.00 176.35 178.94 3i4s s ASP 87 N -1.99 3.02 0.24 2.29 1.47 -1.26 -4.73 116.67 115.71 3i4s s ASP 87 Ca 0.69 0.85 -0.07 0.00 1.18 0.00 0.00 52.55 55.20 3i4s s ASP 87 Cb -0.19 -1.32 0.26 0.00 -0.34 0.00 0.00 42.92 41.34 3i4s s ASP 87 CO 0.24 -2.85 1.90 -0.08 0.68 0.00 0.00 175.17 175.06 3i4s h GLU 88 N -1.70 1.15 -0.39 2.11 4.81 -1.97 0.67 114.58 119.25 3i4s h GLU 88 Ca -0.49 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 58.63 3i4s h GLU 88 Cb 1.32 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 3i4s h GLU 88 CO 0.55 0.76 0.11 0.28 -0.73 0.00 0.00 179.01 179.98 3i4s h VAL 89 N 1.19 1.22 -0.76 0.32 2.07 -1.99 -1.14 116.25 117.16 3i4s h VAL 89 Ca 0.35 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 3i4s h VAL 89 Cb -0.05 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3i4s h VAL 89 CO -0.10 0.26 0.29 1.56 0.02 0.00 0.00 177.57 179.59 3i4s h GLN 90 N 0.49 1.14 -0.66 1.57 4.20 -1.75 -0.27 115.11 119.83 3i4s h GLN 90 Ca 0.12 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 3i4s h GLN 90 Cb 0.28 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 3i4s h GLN 90 CO -0.00 0.94 0.13 1.96 -0.67 0.00 0.00 178.83 181.19 3i4s h GLN 91 N 1.10 1.08 -0.45 1.46 4.20 -0.73 0.12 115.11 121.89 3i4s h GLN 91 Ca 0.25 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3i4s h GLN 91 Cb 0.23 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 3i4s h GLN 91 CO -0.02 0.98 0.24 0.00 -0.67 0.00 0.00 178.83 179.36 3i4s h ALA 92 N 1.05 0.58 -0.32 3.87 0.00 -0.85 -1.85 119.26 121.75 3i4s h ALA 92 Ca 0.20 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3i4s h ALA 92 Cb 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3i4s h ALA 92 CO 0.01 0.12 -0.26 0.37 0.00 0.00 0.00 179.25 179.49 3i4s h GLN 93 N 0.59 0.64 -0.28 0.00 5.75 -0.83 -2.05 115.11 118.94 3i4s h GLN 93 Ca 0.16 -0.26 0.03 0.00 -0.15 0.00 0.00 58.65 58.43 3i4s h GLN 93 Cb 0.08 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 3i4s h GLN 93 CO -0.02 0.83 0.10 1.25 -2.65 0.00 0.00 178.83 178.34 3i4s h LEU 94 N 0.56 0.11 -0.42 -2.39 5.85 -0.50 0.71 115.31 119.22 3i4s h LEU 94 Ca 0.08 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.87 3i4s h LEU 94 Cb 0.73 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 3i4s h LEU 94 CO 0.06 0.10 0.19 -0.03 -0.34 0.00 0.00 178.44 178.41 3i4s h MET 95 N 0.23 0.37 -0.69 1.25 4.05 -1.12 0.13 114.93 119.14 3i4s h MET 95 Ca 0.12 -0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.64 3i4s h MET 95 Cb 0.09 -0.08 -0.09 0.00 -0.80 0.00 0.00 31.60 30.72 3i4s h MET 95 CO -0.12 0.24 0.26 1.15 0.23 0.00 0.00 176.91 178.67 3i4s h THR 96 N 0.38 0.70 -0.19 -0.77 2.02 -0.83 -0.40 112.91 113.82 3i4s h THR 96 Ca 0.19 -0.15 -0.19 0.00 0.77 0.00 0.00 66.41 67.03 3i4s h THR 96 Cb 0.13 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3i4s h THR 96 CO -0.16 0.08 -0.63 -0.33 0.37 0.00 0.00 175.52 174.85 3i4s h GLU 97 N 0.43 0.69 -0.58 6.66 5.08 -0.09 -0.85 114.58 125.92 3i4s h GLU 97 Ca 0.37 -0.48 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3i4s h GLU 97 Cb 0.51 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3i4s h GLU 97 CO -0.36 1.10 0.34 0.82 -1.00 0.00 0.00 179.01 179.91 3i4s h ILE 98 N 0.51 1.17 -0.26 3.13 2.04 -0.52 -0.35 117.51 123.23 3i4s h ILE 98 Ca -0.01 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 3i4s h ILE 98 Cb 1.22 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3i4s h ILE 98 CO 0.13 0.18 0.07 -1.28 0.00 0.00 0.00 178.15 177.24 3i4s h SER 99 N 0.78 0.40 -0.11 1.72 0.87 -0.90 0.18 113.55 116.48 3i4s h SER 99 Ca 0.21 -0.23 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 3i4s h SER 99 Cb -0.01 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 3i4s h SER 99 CO -0.04 0.53 0.05 -0.09 -0.53 0.00 0.00 176.83 176.75 3i4s h ARG 100 N 0.26 0.16 -0.28 2.24 2.43 -0.87 -1.30 114.38 117.02 3i4s h ARG 100 Ca 0.08 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.07 3i4s h ARG 100 Cb 0.28 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3i4s h ARG 100 CO 0.00 0.24 -0.45 0.28 -1.51 0.00 0.00 179.97 178.53 3i4s h VAL 101 N 0.05 1.29 -0.30 0.20 2.07 -1.05 -2.18 116.25 116.33 3i4s h VAL 101 Ca 0.04 -1.65 -0.09 0.00 0.82 0.00 0.00 66.70 65.83 3i4s h VAL 101 Cb 0.13 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3i4s h VAL 101 CO -0.00 0.53 -0.18 0.77 0.02 0.00 0.00 177.57 178.70 3i4s h SER 102 N 0.56 0.53 -0.40 0.57 4.64 -0.95 0.33 113.55 118.82 3i4s h SER 102 Ca 0.02 -0.16 -0.08 0.00 -0.47 0.00 0.00 61.79 61.10 3i4s h SER 102 Cb 1.06 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 3i4s h SER 102 CO 0.10 0.73 -0.06 -0.09 -0.87 0.00 0.00 176.83 176.64 3i4s h ARG 103 N 0.48 0.75 -0.48 4.77 2.43 -1.13 -1.43 114.38 119.77 3i4s h ARG 103 Ca 0.08 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 58.95 3i4s h ARG 103 Cb 0.59 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 3i4s h ARG 103 CO 0.04 0.87 0.18 0.00 -1.51 0.00 0.00 179.97 179.55 3i4s h ALA 104 N 0.86 0.63 -0.45 2.80 0.00 -1.16 -1.21 119.26 120.73 3i4s h ALA 104 Ca 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3i4s h ALA 104 Cb 0.57 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3i4s h ALA 104 CO 0.03 0.25 0.22 1.25 0.00 0.00 0.00 179.25 181.01 3i4s h LEU 105 N 0.64 0.58 -0.73 0.00 5.85 -0.79 -1.31 115.31 119.55 3i4s h LEU 105 Ca 0.16 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3i4s h LEU 105 Cb 0.22 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3i4s h LEU 105 CO -0.01 0.54 0.37 0.50 -0.34 0.00 0.00 178.44 179.49 3i4s h LYS 106 N 0.59 1.05 -0.47 1.25 3.64 -1.10 -1.31 116.57 120.22 3i4s h LYS 106 Ca 0.16 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3i4s h LYS 106 Cb 0.10 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3i4s h LYS 106 CO -0.02 0.81 0.31 0.93 -2.27 0.00 0.00 179.45 179.20 3i4s h GLU 107 N 1.03 0.62 -0.16 1.90 5.08 -0.96 0.56 114.58 122.64 3i4s h GLU 107 Ca 0.25 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.43 3i4s h GLU 107 Cb 0.09 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3i4s h GLU 107 CO -0.03 0.41 -0.45 0.82 -1.00 0.00 0.00 179.01 178.76 3i4s h ILE 108 N 0.63 1.34 0.00 3.13 2.04 -1.13 -3.31 117.51 120.21 3i4s h ILE 108 Ca 0.17 -1.71 0.00 0.00 1.00 0.00 0.00 64.86 64.32 3i4s h ILE 108 Cb -0.07 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 3i4s h ILE 108 CO -0.04 0.52 -0.57 0.71 0.00 0.00 0.00 178.15 178.78 3i4s h THR 109 N 0.24 0.00 -6.74 -0.27 1.35 -1.22 -3.48 112.91 102.80 3i4s h THR 109 Ca -0.01 -0.84 -0.55 0.00 -0.55 0.00 0.00 66.41 64.46 3i4s h THR 109 Cb 1.07 1.54 -0.16 0.00 -1.73 0.00 0.00 68.15 68.86 3i4s h THR 109 CO 0.10 0.00 -0.88 0.29 -0.25 0.00 0.00 175.52 174.77 3i4s n LYS 110 N -2.63 -2.69 -1.55 4.72 5.02 0.18 -4.93 118.16 116.29 3i4s n LYS 110 Ca 0.02 0.32 -0.31 0.00 -2.02 0.00 0.00 58.31 56.33 3i4s n LYS 110 Cb 0.51 -4.60 0.06 0.00 -0.02 0.00 0.00 35.03 30.99 3i4s n LYS 110 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i4s h ASP 112 N -0.83 0.83 -3.43 0.00 3.32 -1.50 -3.47 116.42 111.33 3i4s h ASP 112 Ca -0.45 -0.51 -0.03 0.00 0.02 0.00 0.00 57.03 56.06 3i4s h ASP 112 Cb 1.22 -0.24 -0.22 0.00 0.22 0.00 0.00 39.33 40.31 3i4s h ASP 112 CO 0.57 1.29 -0.00 -0.75 -1.72 0.00 0.00 179.24 178.63 3i4s s LYS 113 N -3.82 0.70 0.26 3.56 2.47 -0.99 -5.02 119.74 116.90 3i4s s LYS 113 Ca -0.09 1.04 -0.18 0.00 -1.56 0.00 0.00 55.97 55.19 3i4s s LYS 113 Cb 0.10 0.22 -0.09 0.00 -1.46 0.00 0.00 37.83 36.60 3i4s s LYS 113 CO 0.88 -0.13 0.73 -0.51 0.16 0.00 0.00 175.35 176.49 3i4s s LEU 114 N 1.07 4.23 -0.10 5.43 1.43 -1.26 -0.24 118.68 129.24 3i4s s LEU 114 Ca -0.06 1.37 0.03 0.00 -1.03 0.00 0.00 54.13 54.44 3i4s s LEU 114 Cb -0.05 -3.79 0.01 0.00 0.03 0.00 0.00 46.19 42.38 3i4s s LEU 114 CO -0.10 -0.06 -0.21 0.20 0.23 0.00 0.00 176.35 176.40 3i4s s ASN 115 N -1.90 2.80 -0.07 2.29 0.02 0.04 -4.94 114.94 113.18 3i4s s ASN 115 Ca 0.47 -0.51 0.01 0.00 -1.02 0.00 0.00 52.86 51.82 3i4s s ASN 115 Cb -0.14 -1.28 0.02 0.00 0.02 0.00 0.00 41.25 39.87 3i4s s ASN 115 CO 0.19 0.11 -0.09 -0.63 0.02 0.00 0.00 177.10 176.71 3i4s s ILE 116 N 0.54 0.95 -0.23 0.60 1.01 -1.26 -0.76 121.20 122.05 3i4s s ILE 116 Ca -0.15 -0.33 -0.22 0.00 0.00 0.00 0.00 60.65 59.95 3i4s s ILE 116 Cb -0.17 -0.92 0.06 0.00 0.01 0.00 0.00 42.46 41.44 3i4s s ILE 116 CO 0.05 0.33 0.63 0.00 0.00 0.00 0.00 174.94 175.95 3i4s s ALA 117 N 1.05 -1.56 -0.34 9.38 0.00 -0.62 -4.97 121.76 124.69 3i4s s ALA 117 Ca -0.08 1.76 -0.04 0.00 0.00 0.00 0.00 51.96 53.61 3i4s s ALA 117 Cb -0.14 -1.01 0.06 0.00 0.00 0.00 0.00 23.12 22.03 3i4s s ALA 117 CO -0.01 -0.30 0.08 0.00 0.00 0.00 0.00 175.76 175.54 3i4s s ALA 118 N 0.29 2.97 0.00 0.00 0.00 -1.26 -0.30 121.76 123.46 3i4s s ALA 118 Ca -0.00 -1.94 0.00 0.00 0.00 0.00 0.00 51.96 50.02 3i4s s ALA 118 Cb -0.04 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 20.92 3i4s s ALA 118 CO 0.01 -1.42 0.00 1.28 0.00 0.00 0.00 175.76 175.63 3i4s n LEU 119 N 4.68 0.00 -0.89 0.00 4.77 -1.26 -5.05 117.00 119.25 3i4s n LEU 119 Ca -0.11 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.81 3i4s n LEU 119 Cb 0.43 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3i4s n LEU 119 CO 0.30 -0.05 -0.05 0.61 -1.33 0.00 0.00 177.39 176.87 3i4s n GLY 120 N 3.06 0.17 0.17 -0.72 0.00 -1.26 -4.94 105.19 101.68 3i4s n GLY 120 Ca 0.00 -0.57 0.03 0.00 0.00 0.00 0.00 46.02 45.48 3i4s n GLY 120 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3i4s h ASN 121 N -0.16 0.00 0.00 1.61 2.35 -1.97 -3.34 115.58 114.06 3i4s h ASN 121 Ca -0.16 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.43 3i4s h ASN 121 Cb 1.12 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.46 3i4s h ASN 121 CO 0.18 0.44 -1.59 0.18 -1.65 0.00 0.00 177.43 174.99 3i4s n LEU 122 N -3.70 2.03 -4.32 1.61 4.77 -1.26 -4.93 117.00 111.20 3i4s n LEU 122 Ca -0.01 -0.04 -0.38 0.00 -0.03 0.00 0.00 56.01 55.55 3i4s n LEU 122 Cb 0.52 -0.19 -0.12 0.00 -2.33 0.00 0.00 43.42 41.30 3i4s n LEU 122 CO 0.38 0.53 -0.24 -0.69 -1.33 0.00 0.00 177.39 176.04 3i4s s VAL 123 N -2.21 4.01 0.43 4.08 1.01 -1.25 -4.99 120.40 121.48 3i4s s VAL 123 Ca -0.11 -0.90 0.12 0.00 0.00 0.00 0.00 61.98 61.09 3i4s s VAL 123 Cb 0.03 -3.19 0.20 0.00 0.00 0.00 0.00 36.38 33.42 3i4s s VAL 123 CO 0.28 -0.09 2.00 1.55 0.00 0.00 0.00 175.10 178.83 3i4s h PRO 124 N 8.27 0.15 -6.41 2.72 0.13 -1.92 -3.42 132.00 131.51 3i4s h PRO 124 Ca -0.27 -0.02 -0.54 0.00 -0.87 0.00 0.00 66.00 64.30 3i4s h PRO 124 Cb 1.10 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.22 3i4s h PRO 124 CO 0.61 0.24 0.97 -1.14 -0.23 0.00 0.00 178.00 178.46 3i4s s GLN 125 N -4.83 4.21 -0.02 0.86 0.74 -1.26 -4.22 119.66 115.13 3i4s s GLN 125 Ca -0.05 2.24 -0.35 0.00 0.05 0.00 0.00 55.36 57.25 3i4s s GLN 125 Cb 0.16 -3.64 -0.14 0.00 1.10 0.00 0.00 33.01 30.50 3i4s s GLN 125 CO 0.71 -0.71 1.70 -0.11 -0.55 0.00 0.00 175.29 176.33 3i4s n LEU 126 N 5.71 2.96 -3.76 3.68 7.94 -0.21 -4.95 117.00 128.37 3i4s n LEU 126 Ca 0.15 1.04 -0.13 0.00 -1.11 0.00 0.00 56.01 55.97 3i4s n LEU 126 Cb 0.41 -1.33 -0.11 0.00 0.53 0.00 0.00 43.42 42.92 3i4s n LEU 126 CO 0.62 -0.30 -0.03 -1.38 -1.11 0.00 0.00 177.39 175.19 3i4s s HIS 127 N 2.60 -0.35 -0.26 1.96 -3.43 -1.26 -4.15 115.29 110.40 3i4s s HIS 127 Ca 0.88 0.86 -0.06 0.00 -0.80 0.00 0.00 55.06 55.94 3i4s s HIS 127 Cb -0.78 0.12 -0.01 0.00 -1.43 0.00 0.00 32.58 30.49 3i4s s HIS 127 CO 0.49 -0.18 0.04 0.08 -2.00 0.00 0.00 174.74 173.17 3i4s s VAL 128 N 0.30 3.85 0.22 -5.38 1.01 0.15 -4.39 120.40 116.17 3i4s s VAL 128 Ca -0.01 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 3i4s s VAL 128 Cb -0.03 -2.87 -0.09 0.00 0.00 0.00 0.00 36.38 33.39 3i4s s VAL 128 CO -0.01 0.26 1.21 -1.00 0.00 0.00 0.00 175.10 175.55 3i4s s HIS 129 N 1.52 3.39 -0.20 5.22 3.76 0.59 -1.12 115.29 128.45 3i4s s HIS 129 Ca 0.04 1.45 -0.02 0.00 -0.15 0.00 0.00 55.06 56.39 3i4s s HIS 129 Cb -0.16 -3.45 0.06 0.00 1.11 0.00 0.00 32.58 30.14 3i4s s HIS 129 CO 0.01 -1.24 0.00 0.42 -0.85 0.00 0.00 174.74 173.08 3i4s s ILE 130 N -0.37 0.87 -0.06 0.60 1.01 -0.05 -1.59 121.20 121.61 3i4s s ILE 130 Ca 0.51 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 60.45 3i4s s ILE 130 Cb -0.34 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 40.86 3i4s s ILE 130 CO 0.39 -0.14 -0.16 -0.63 0.00 0.00 0.00 174.94 174.41 3i4s s ILE 131 N 1.70 1.39 -0.18 2.92 1.01 0.06 -0.62 121.20 127.49 3i4s s ILE 131 Ca -0.02 -0.67 -0.20 0.00 0.00 0.00 0.00 60.65 59.76 3i4s s ILE 131 Cb -0.17 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 3i4s s ILE 131 CO -0.07 0.41 0.60 0.00 0.00 0.00 0.00 174.94 175.87 3i4s s ALA 132 N 0.27 3.52 0.06 9.38 0.00 -0.28 -0.78 121.76 133.92 3i4s s ALA 132 Ca -0.09 -0.25 0.06 0.00 0.00 0.00 0.00 51.96 51.68 3i4s s ALA 132 Cb -0.13 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 3i4s s ALA 132 CO 0.03 -0.43 -0.09 1.03 0.00 0.00 0.00 175.76 176.30 3i4s s ARG 133 N 1.62 2.30 0.04 0.00 1.81 0.66 -4.21 118.95 121.17 3i4s s ARG 133 Ca 0.28 -0.90 0.02 0.00 -1.72 0.00 0.00 55.73 53.42 3i4s s ARG 133 Cb -0.16 -2.38 -0.02 0.00 -0.45 0.00 0.00 34.95 31.94 3i4s s ARG 133 CO 0.11 0.55 -0.08 1.03 -0.68 0.00 0.00 175.30 176.22 3i4s s ARG 134 N -1.85 0.55 0.56 3.54 0.52 -1.26 -1.17 118.95 119.84 3i4s s ARG 134 Ca 0.19 -0.68 0.27 0.00 -0.52 0.00 0.00 55.73 55.00 3i4s s ARG 134 Cb -0.11 -0.38 1.66 0.00 0.52 0.00 0.00 34.95 36.64 3i4s s ARG 134 CO 0.11 0.08 2.20 1.79 0.02 0.00 0.00 175.30 179.50 3i4s h THR 135 N 4.57 0.61 -0.01 0.02 1.35 -1.99 -0.74 112.91 116.72 3i4s h THR 135 Ca -0.35 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3i4s h THR 135 Cb 1.20 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3i4s h THR 135 CO 0.42 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 3i4s n GLY 136 N -1.22 -0.28 3.78 5.82 0.00 -1.26 -4.79 105.19 107.25 3i4s n GLY 136 Ca -0.03 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 3i4s n GLY 136 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i4s s ASP 137 N -2.00 4.10 0.52 1.61 1.47 -0.28 -4.93 116.67 117.15 3i4s s ASP 137 Ca 0.41 1.27 0.19 0.00 1.18 0.00 0.00 52.55 55.60 3i4s s ASP 137 Cb 0.21 -1.97 1.34 0.00 -0.34 0.00 0.00 42.92 42.16 3i4s s ASP 137 CO 0.34 -2.22 2.13 0.00 0.68 0.00 0.00 175.17 176.11 3i4s h ALA 138 N -1.26 1.77 0.00 2.11 0.00 -1.89 -2.70 119.26 117.29 3i4s h ALA 138 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3i4s h ALA 138 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3i4s h ALA 138 CO 0.59 0.07 -0.88 0.00 0.00 0.00 0.00 179.25 179.03 3i4s n ALA 139 N -2.47 3.41 -1.62 0.00 0.00 -1.26 -4.99 120.51 113.59 3i4s n ALA 139 Ca -0.03 -0.36 -0.47 0.00 0.00 0.00 0.00 53.44 52.58 3i4s n ALA 139 Cb 0.14 -0.48 -0.04 0.00 0.00 0.00 0.00 19.45 19.08 3i4s n ALA 139 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3i4s n TRP 140 N -1.48 1.67 0.30 0.00 -0.00 -1.02 -0.72 117.44 116.18 3i4s n TRP 140 Ca 0.01 0.57 0.08 0.00 -0.00 0.00 0.00 57.50 58.16 3i4s n TRP 140 Cb 0.24 -2.36 0.23 0.00 -0.00 0.00 0.00 31.31 29.43 3i4s n TRP 140 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3i4s n PRO 141 N 1.93 2.35 -1.88 5.87 -0.04 -1.26 -4.98 135.00 136.99 3i4s n PRO 141 Ca 0.14 -1.87 -0.33 0.00 -0.04 0.00 0.00 63.50 61.40 3i4s n PRO 141 Cb 0.27 -1.47 0.03 0.00 -0.04 0.00 0.00 33.50 32.30 3i4s n PRO 141 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3i4s s ARG 142 N -1.42 2.97 0.60 0.54 0.52 0.10 -5.01 118.95 117.25 3i4s s ARG 142 Ca 0.34 1.38 -0.20 0.00 -0.52 0.00 0.00 55.73 56.74 3i4s s ARG 142 Cb 0.19 -1.97 -0.04 0.00 0.52 0.00 0.00 34.95 33.65 3i4s s ARG 142 CO 0.22 -1.11 1.23 -2.30 0.02 0.00 0.00 175.30 173.36 3i4s n PRO 143 N -2.21 1.27 0.18 3.54 -0.02 -1.26 -4.85 135.00 131.66 3i4s n PRO 143 Ca 0.10 0.48 0.05 0.00 -2.02 0.00 0.00 63.50 62.12 3i4s n PRO 143 Cb 0.52 -2.45 0.31 0.00 -0.02 0.00 0.00 33.50 31.86 3i4s n PRO 143 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3i4s h VAL 144 N 0.86 0.89 -2.64 -1.45 -1.51 -1.95 -3.45 116.25 107.01 3i4s h VAL 144 Ca -0.50 -1.60 -0.55 0.00 -1.23 0.00 0.00 66.70 62.82 3i4s h VAL 144 Cb 1.33 1.98 -0.01 0.00 -2.13 0.00 0.00 31.29 32.46 3i4s h VAL 144 CO 0.54 0.38 1.10 0.26 -1.23 0.00 0.00 177.57 178.62 3i4s s TRP 145 N -3.55 2.02 0.00 5.19 0.51 -1.26 -2.00 118.94 119.85 3i4s s TRP 145 Ca 0.00 0.31 0.00 0.00 -2.12 0.00 0.00 56.10 54.29 3i4s s TRP 145 Cb 0.11 -3.91 0.00 0.00 -0.81 0.00 0.00 33.47 28.86 3i4s s TRP 145 CO 0.69 -3.58 0.00 0.41 -0.51 0.00 0.00 176.95 173.96 3i4s n GLY 146 N 4.26 0.78 0.15 0.98 0.00 -1.26 -4.92 105.19 105.18 3i4s n GLY 146 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 3i4s n GLY 146 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i4s h VAL 147 N 0.00 0.21 -3.25 1.61 2.07 -1.70 -3.46 116.25 111.72 3i4s h VAL 147 Ca 0.00 -0.91 -0.64 0.00 0.82 0.00 0.00 66.70 65.97 3i4s h VAL 147 Cb 0.01 0.36 -0.13 0.00 -1.52 0.00 0.00 31.29 30.02 3i4s h VAL 147 CO 0.00 0.06 -0.69 -0.04 0.02 0.00 0.00 177.57 176.92 3i4s s MET 148 N -2.62 2.36 0.26 1.57 -1.94 -1.26 -5.10 119.30 112.57 3i4s s MET 148 Ca -0.06 -1.00 -0.31 0.00 -1.71 0.00 0.00 55.69 52.61 3i4s s MET 148 Cb 0.00 -2.40 -0.13 0.00 2.01 0.00 0.00 34.83 34.32 3i4s s MET 148 CO 0.20 0.50 1.48 0.94 -0.01 0.00 0.00 175.02 178.13 3i4s n GLN 149 N 0.36 2.26 -1.71 2.03 7.27 -1.26 -4.95 117.38 121.38 3i4s n GLN 149 Ca -0.11 0.81 -0.41 0.00 0.07 0.00 0.00 57.00 57.35 3i4s n GLN 149 Cb 0.53 -2.51 0.01 0.00 2.41 0.00 0.00 30.24 30.68 3i4s n GLN 149 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 3i4s n PRO 150 N 2.12 2.05 -3.96 3.69 -0.02 -1.26 -4.96 135.00 132.66 3i4s n PRO 150 Ca 0.11 0.73 -0.35 0.00 -2.02 0.00 0.00 63.50 61.96 3i4s n PRO 150 Cb 0.33 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.33 3i4s n PRO 150 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i4s s LEU 151 N -1.69 4.26 0.27 2.45 1.43 -1.26 -4.95 118.68 119.19 3i4s s LEU 151 Ca 0.59 0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 53.76 3i4s s LEU 151 Cb -0.51 -2.26 -0.09 0.00 0.03 0.00 0.00 46.19 43.35 3i4s s LEU 151 CO 0.59 0.34 1.08 0.00 0.23 0.00 0.00 176.35 178.59 3i4s s ALA 152 N -1.14 3.40 0.35 4.21 0.00 -1.26 -0.86 121.76 126.46 3i4s s ALA 152 Ca 0.20 0.86 -0.27 0.00 0.00 0.00 0.00 51.96 52.75 3i4s s ALA 152 Cb -0.12 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 3i4s s ALA 152 CO 0.10 -0.12 1.13 -1.01 0.00 0.00 0.00 175.76 175.86 3i4s s HIS 153 N -1.11 3.30 0.15 0.00 0.09 -1.26 -4.67 115.29 111.79 3i4s s HIS 153 Ca 0.44 1.61 -0.31 0.00 -0.00 0.00 0.00 55.06 56.81 3i4s s HIS 153 Cb -0.31 -3.33 -0.08 0.00 -0.00 0.00 0.00 32.58 28.86 3i4s s HIS 153 CO 0.40 -0.95 1.33 0.34 -0.00 0.00 0.00 174.74 175.86 3i4s s ASP 154 N -1.06 6.89 0.34 1.40 2.15 -1.26 -4.95 116.67 120.18 3i4s s ASP 154 Ca 0.52 2.33 0.03 0.00 0.43 0.00 0.00 52.55 55.85 3i4s s ASP 154 Cb -0.30 -2.60 0.61 0.00 -0.30 0.00 0.00 42.92 40.33 3i4s s ASP 154 CO 0.39 -0.57 1.95 0.00 -0.17 0.00 0.00 175.17 176.77 3i4s h ALA 155 N 6.06 1.46 -0.08 3.66 0.00 -1.99 -1.98 119.26 126.38 3i4s h ALA 155 Ca -0.43 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 3i4s h ALA 155 Cb 1.21 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3i4s h ALA 155 CO 0.81 0.43 -0.12 1.15 0.00 0.00 0.00 179.25 181.52 3i4s h THR 156 N 0.71 1.39 -0.34 0.00 2.02 -1.99 -2.53 112.91 112.17 3i4s h THR 156 Ca 0.18 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 66.00 3i4s h THR 156 Cb 0.10 2.10 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 3i4s h THR 156 CO -0.02 0.38 0.23 -0.33 0.37 0.00 0.00 175.52 176.14 3i4s h GLU 157 N -0.23 0.46 -0.24 6.66 5.08 -1.93 -1.68 114.58 122.69 3i4s h GLU 157 Ca 0.01 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 3i4s h GLU 157 Cb 0.67 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3i4s h GLU 157 CO 0.03 0.31 -0.38 -0.24 -1.00 0.00 0.00 179.01 177.72 3i4s h VAL 158 N 0.46 1.30 -0.66 3.13 3.04 -1.47 -1.50 116.25 120.56 3i4s h VAL 158 Ca 0.13 -1.53 -0.06 0.00 -1.01 0.00 0.00 66.70 64.22 3i4s h VAL 158 Cb -0.04 1.53 -0.03 0.00 -2.01 0.00 0.00 31.29 30.73 3i4s h VAL 158 CO -0.03 0.48 0.17 -0.61 -1.01 0.00 0.00 177.57 176.58 3i4s h GLN 159 N 0.46 1.03 -0.46 4.17 5.75 -1.24 -0.26 115.11 124.57 3i4s h GLN 159 Ca 0.04 -0.23 -0.13 0.00 -0.15 0.00 0.00 58.65 58.19 3i4s h GLN 159 Cb 0.88 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.27 3i4s h GLN 159 CO 0.07 0.91 -0.21 -0.91 -2.65 0.00 0.00 178.83 176.04 3i4s h ASN 160 N 0.99 0.95 -0.08 -0.69 -0.26 -1.15 -0.56 115.58 114.77 3i4s h ASN 160 Ca 0.21 -0.35 -0.00 0.00 -0.56 0.00 0.00 56.30 55.60 3i4s h ASN 160 Cb 0.33 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 37.33 3i4s h ASN 160 CO -0.00 1.12 0.05 0.15 -1.06 0.00 0.00 177.43 177.68 3i4s h PHE 161 N 0.81 0.11 -0.30 1.19 3.57 -1.08 -2.00 116.94 119.23 3i4s h PHE 161 Ca 0.11 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.63 3i4s h PHE 161 Cb 0.76 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 3i4s h PHE 161 CO 0.05 0.13 0.14 0.82 -2.23 0.00 0.00 178.31 177.21 3i4s h ILE 162 N 0.05 0.98 -0.71 1.41 2.04 -0.85 -0.91 117.51 119.53 3i4s h ILE 162 Ca 0.03 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 3i4s h ILE 162 Cb 0.05 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3i4s h ILE 162 CO -0.00 0.05 0.27 0.77 0.00 0.00 0.00 178.15 179.24 3i4s h SER 163 N 0.30 0.99 -0.79 1.72 4.64 -1.08 -0.44 113.55 118.88 3i4s h SER 163 Ca 0.12 -0.18 -0.05 0.00 -0.47 0.00 0.00 61.79 61.22 3i4s h SER 163 Cb 0.05 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 3i4s h SER 163 CO -0.09 0.90 0.30 0.00 -0.87 0.00 0.00 176.83 177.06 3i4s h ALA 164 N 1.13 1.03 -0.33 5.18 0.00 -1.10 -1.45 119.26 123.72 3i4s h ALA 164 Ca 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3i4s h ALA 164 Cb 0.23 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3i4s h ALA 164 CO -0.02 0.67 0.13 -0.07 0.00 0.00 0.00 179.25 179.97 3i4s h LEU 165 N 1.16 0.45 -1.05 0.00 3.38 -0.85 -2.82 115.31 115.57 3i4s h LEU 165 Ca 0.26 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3i4s h LEU 165 Cb 0.24 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3i4s h LEU 165 CO -0.02 0.49 0.39 0.03 0.09 0.00 0.00 178.44 179.42 3i4s h ARG 166 N 0.38 1.06 -0.71 1.13 3.08 -0.75 -0.32 114.38 118.25 3i4s h ARG 166 Ca 0.11 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 3i4s h ARG 166 Cb 0.18 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3i4s h ARG 166 CO -0.01 0.79 0.22 0.00 -1.07 0.00 0.00 179.97 179.91 3i4s h ARG 167 N 1.06 1.09 -0.03 0.04 3.08 -1.22 0.32 114.38 118.71 3i4s h ARG 167 Ca 0.26 -0.22 -0.16 0.00 0.07 0.00 0.00 59.98 59.93 3i4s h ARG 167 Cb 0.06 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 29.96 3i4s h ARG 167 CO -0.04 0.93 -0.61 0.87 -1.07 0.00 0.00 179.97 180.05 3i4s h LYS 168 N 1.05 0.47 0.16 0.04 1.79 -1.17 -3.38 116.57 115.52 3i4s h LYS 168 Ca 0.23 -0.46 -0.21 0.00 -2.18 0.00 0.00 60.65 58.03 3i4s h LYS 168 Cb 0.29 0.12 0.02 0.00 -1.58 0.00 0.00 32.23 31.08 3i4s h LYS 168 CO -0.01 1.11 -0.93 0.82 -1.08 0.00 0.00 179.45 179.36 3i4s h ILE 169 N 0.00 1.46 -3.43 1.86 2.04 -1.01 -3.44 117.51 114.99 3i4s h ILE 169 Ca -0.07 -2.55 -0.66 0.00 1.00 0.00 0.00 64.86 62.58 3i4s h ILE 169 Cb 1.30 3.17 -0.36 0.00 -0.74 0.00 0.00 36.82 40.18 3i4s h ILE 169 CO 0.12 0.73 -0.83 0.26 0.00 0.00 0.00 178.15 178.43 3i4s s TRP 170 N -2.45 2.91 -2.00 1.37 0.51 0.09 -5.09 118.94 114.29 3i4s s TRP 170 Ca -0.13 -1.90 0.22 0.00 -2.12 0.00 0.00 56.10 52.16 3i4s s TRP 170 Cb 0.01 -1.88 1.30 0.00 -0.81 0.00 0.00 33.47 32.10 3i4s s TRP 170 CO 0.84 -0.83 1.68 1.28 -0.51 0.00 0.00 176.95 179.42