#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bos s PRO 4402N 0.00 3.48 0.53 -2.82 0.04 -1.26 -4.76 135.00 130.21 1bos s PRO 4402Ca 0.00 1.73 -0.22 0.00 0.04 0.00 0.00 61.00 62.55 1bos s PRO 4402Cb 0.00 -2.18 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 1bos s PRO 4402CO 0.00 -0.77 1.34 -0.51 0.04 0.00 0.00 177.00 177.10 1bos s ASP 4403N -1.54 5.41 0.08 6.66 1.11 -1.26 -2.05 116.67 125.08 1bos s ASP 4403Ca 0.69 2.73 0.00 0.00 0.18 0.00 0.00 52.55 56.15 1bos s ASP 4403Cb -0.27 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.08 1bos s ASP 4403CO 0.32 -1.47 0.00 0.00 1.18 0.00 0.00 175.17 175.20 1bos s VAL 4405N -2.00 0.12 -0.02 0.00 -7.23 -1.20 -5.01 120.40 105.07 1bos s VAL 4405Ca 0.00 -1.01 0.01 0.00 -1.81 0.00 0.00 61.98 59.17 1bos s VAL 4405Cb 0.00 -0.50 0.01 0.00 0.56 0.00 0.00 36.38 36.45 1bos s VAL 4405CO 0.00 -0.56 -0.05 -0.89 -0.31 0.00 0.00 175.10 173.30 1bos s THR 4406N -1.86 0.45 -2.76 5.32 2.01 -1.26 -1.34 115.64 116.21 1bos s THR 4406Ca -0.12 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1bos s THR 4406Cb -0.07 -0.43 0.00 0.00 0.01 0.00 0.00 72.50 72.01 1bos s THR 4406CO -0.02 0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.68 1bos n GLY 4407N 3.47 -1.51 3.90 4.40 0.00 -0.76 -4.62 105.19 110.07 1bos n GLY 4407Ca -0.19 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 1bos n GLY 4407CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bos s LYS 4408N -1.32 3.64 -0.12 1.61 1.02 -1.26 -1.04 119.74 122.27 1bos s LYS 4408Ca 0.00 0.12 -0.29 0.00 0.02 0.00 0.00 55.97 55.82 1bos s LYS 4408Cb 0.00 -2.54 -0.02 0.00 -0.52 0.00 0.00 37.83 34.75 1bos s LYS 4408CO 0.00 0.08 1.17 0.08 -0.92 0.00 0.00 175.35 175.76 1bos s VAL 4409N -2.27 4.40 -0.02 3.17 1.01 -1.26 -4.34 120.40 121.09 1bos s VAL 4409Ca 0.46 1.71 -0.20 0.00 0.00 0.00 0.00 61.98 63.95 1bos s VAL 4409Cb -0.10 -4.10 -0.32 0.00 0.00 0.00 0.00 36.38 31.86 1bos s VAL 4409CO 0.33 -0.07 0.94 -0.08 0.00 0.00 0.00 175.10 176.22 1bos h GLU 4410N 7.64 0.39 -3.13 2.72 4.81 -1.18 -3.47 114.58 122.36 1bos h GLU 4410Ca -0.29 -0.64 -0.02 0.00 -0.13 0.00 0.00 59.36 58.28 1bos h GLU 4410Cb 1.12 0.23 -0.11 0.00 0.63 0.00 0.00 28.75 30.63 1bos h GLU 4410CO 0.92 1.30 0.12 1.52 -0.73 0.00 0.00 179.01 182.14 1bos s TYR 4411N -2.54 -0.38 0.20 0.92 -0.85 -1.25 -5.01 117.35 108.45 1bos s TYR 4411Ca -0.12 0.10 0.09 0.00 -0.52 0.00 0.00 57.07 56.62 1bos s TYR 4411Cb 0.02 0.48 -0.04 0.00 0.38 0.00 0.00 41.96 42.80 1bos s TYR 4411CO 0.87 -0.86 -0.18 0.95 -1.52 0.00 0.00 175.55 174.81 1bos s THR 4412N -3.79 1.99 -0.02 -3.49 -4.23 -1.26 -1.65 115.64 103.17 1bos s THR 4412Ca 0.03 -2.11 -0.01 0.00 -1.18 0.00 0.00 61.69 58.42 1bos s THR 4412Cb -0.01 -2.02 0.02 0.00 1.34 0.00 0.00 72.50 71.83 1bos s THR 4412CO -0.10 -0.39 0.05 -0.75 -0.54 0.00 0.00 174.62 172.89 1bos s LYS 4413N -3.16 0.01 -0.14 3.99 2.20 0.17 -4.97 119.74 117.84 1bos s LYS 4413Ca 0.21 0.16 -0.18 0.00 -0.36 0.00 0.00 55.97 55.80 1bos s LYS 4413Cb -0.04 -0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.11 1bos s LYS 4413CO 0.09 -0.10 0.48 -0.47 -0.36 0.00 0.00 175.35 174.99 1bos s TYR 4414N 0.67 3.47 0.24 4.03 5.04 -1.26 -0.69 117.35 128.84 1bos s TYR 4414Ca -0.05 0.85 0.04 0.00 -2.44 0.00 0.00 57.07 55.47 1bos s TYR 4414Cb -0.08 -2.58 -0.03 0.00 0.35 0.00 0.00 41.96 39.62 1bos s TYR 4414CO -0.02 0.09 0.37 -0.80 -1.34 0.00 0.00 175.55 173.85 1bos s ASN 4415N 0.77 6.32 0.63 4.32 0.01 -0.60 -4.99 114.94 121.40 1bos s ASN 4415Ca 0.25 0.12 0.40 0.00 -0.71 0.00 0.00 52.86 52.92 1bos s ASN 4415Cb -0.15 -1.88 2.10 0.00 0.41 0.00 0.00 41.25 41.73 1bos s ASN 4415CO 0.10 -0.07 2.26 -0.78 -1.51 0.00 0.00 177.10 177.10 1bos h ASP 4416N 1.27 0.00 -0.61 -1.22 3.58 -1.98 -0.93 116.42 116.53 1bos h ASP 4416Ca -0.51 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 56.78 1bos h ASP 4416Cb 1.22 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.18 1bos h ASP 4416CO 0.62 0.01 0.17 -0.90 -2.88 0.00 0.00 179.24 176.26 1bos n ASP 4417N -3.16 4.57 -1.32 2.28 5.75 -1.26 -4.94 116.55 118.47 1bos n ASP 4417Ca -0.02 -3.22 -0.17 0.00 -0.01 0.00 0.00 54.79 51.37 1bos n ASP 4417Cb 0.14 -0.70 -0.07 0.00 -1.03 0.00 0.00 41.12 39.45 1bos n ASP 4417CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1bos n ASP 4418N -0.23 -5.29 -4.78 -1.12 8.00 -0.35 -5.02 116.55 107.76 1bos n ASP 4418Ca 0.36 0.43 -0.24 0.00 0.71 0.00 0.00 54.79 56.05 1bos n ASP 4418Cb 1.26 -4.31 0.08 0.00 -0.02 0.00 0.00 41.12 38.14 1bos n ASP 4418CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1bos s THR 4419N -2.57 2.31 -0.04 -3.53 -4.23 -1.26 -4.90 115.64 101.42 1bos s THR 4419Ca 0.00 -0.48 0.02 0.00 -1.18 0.00 0.00 61.69 60.05 1bos s THR 4419Cb 0.00 -2.83 0.01 0.00 1.34 0.00 0.00 72.50 71.02 1bos s THR 4419CO 0.00 0.00 -0.10 0.12 -0.54 0.00 0.00 174.62 174.10 1bos s PHE 4420N -3.12 1.13 0.01 3.99 5.36 -0.40 -1.56 117.98 123.37 1bos s PHE 4420Ca 0.63 -0.34 -0.01 0.00 -0.96 0.00 0.00 56.93 56.25 1bos s PHE 4420Cb -0.08 -0.84 -0.04 0.00 -0.34 0.00 0.00 43.02 41.72 1bos s PHE 4420CO 0.43 -0.18 0.11 0.99 -1.46 0.00 0.00 175.22 175.12 1bos s THR 4421N 0.48 4.91 0.03 0.12 2.01 0.13 -1.16 115.64 122.16 1bos s THR 4421Ca -0.09 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 61.55 1bos s THR 4421Cb -0.12 -3.28 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 1bos s THR 4421CO 0.02 0.31 -0.11 0.54 -0.69 0.00 0.00 174.62 174.68 1bos s VAL 4422N -1.27 0.85 -0.22 3.82 0.11 -0.20 -0.65 120.40 122.83 1bos s VAL 4422Ca 0.25 -0.90 0.01 0.00 -2.93 0.00 0.00 61.98 58.41 1bos s VAL 4422Cb -0.12 -0.80 0.03 0.00 -1.53 0.00 0.00 36.38 33.96 1bos s VAL 4422CO 0.17 -0.08 -0.13 -0.75 -3.33 0.00 0.00 175.10 170.98 1bos s LYS 4423N -1.10 2.75 -0.07 1.54 2.47 -0.66 -1.74 119.74 122.94 1bos s LYS 4423Ca -0.01 -1.01 0.02 0.00 -1.56 0.00 0.00 55.97 53.40 1bos s LYS 4423Cb -0.07 -2.80 0.02 0.00 -1.46 0.00 0.00 37.83 33.51 1bos s LYS 4423CO 0.01 -0.37 -0.11 0.08 0.16 0.00 0.00 175.35 175.13 1bos s VAL 4424N 1.26 1.04 0.00 4.02 1.01 -1.01 -0.48 120.40 126.24 1bos s VAL 4424Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1bos s VAL 4424Cb -0.16 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1bos s VAL 4424CO -0.08 0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1bos n GLY 4425N 3.98 3.01 0.36 4.51 0.00 -1.26 -2.64 105.19 113.15 1bos n GLY 4425Ca -0.22 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 45.63 1bos n GLY 4425CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bos n ASP 4426N 7.91 2.34 -4.58 1.61 5.75 -1.26 -5.00 116.55 123.32 1bos n ASP 4426Ca 0.00 -1.84 -0.32 0.00 -0.01 0.00 0.00 54.79 52.62 1bos n ASP 4426Cb 0.00 -0.11 -0.11 0.00 -1.03 0.00 0.00 41.12 39.88 1bos n ASP 4426CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1bos s LYS 4427N -0.90 2.49 -0.22 0.11 -0.14 -1.08 -4.94 119.74 115.06 1bos s LYS 4427Ca 0.13 -0.76 -0.04 0.00 -1.36 0.00 0.00 55.97 53.93 1bos s LYS 4427Cb 0.07 -2.46 -0.01 0.00 -1.68 0.00 0.00 37.83 33.74 1bos s LYS 4427CO 0.09 0.59 -0.03 -2.00 -0.76 0.00 0.00 175.35 173.25 1bos s GLU 4428N -1.45 3.43 0.24 1.68 2.12 -1.26 -2.41 118.70 121.05 1bos s GLU 4428Ca 0.17 -0.60 0.03 0.00 0.36 0.00 0.00 54.97 54.93 1bos s GLU 4428Cb -0.11 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 31.19 1bos s GLU 4428CO 0.08 -0.16 0.00 -0.51 -0.54 0.00 0.00 175.26 174.13 1bos s LEU 4429N 1.41 2.17 0.11 2.70 1.43 -0.71 -1.04 118.68 124.75 1bos s LEU 4429Ca 0.05 -1.23 0.03 0.00 -1.03 0.00 0.00 54.13 51.95 1bos s LEU 4429Cb -0.14 -0.26 -0.04 0.00 0.03 0.00 0.00 46.19 45.77 1bos s LEU 4429CO -0.02 -0.53 -0.08 0.72 0.23 0.00 0.00 176.35 176.67 1bos s PHE 4430N -3.43 1.02 0.07 0.29 -0.71 -0.58 -1.04 117.98 113.61 1bos s PHE 4430Ca 0.29 -0.80 0.04 0.00 -1.04 0.00 0.00 56.93 55.42 1bos s PHE 4430Cb 0.06 -0.56 -0.03 0.00 -1.21 0.00 0.00 43.02 41.28 1bos s PHE 4430CO 0.09 -0.05 -0.12 -0.08 -1.34 0.00 0.00 175.22 173.72 1bos s THR 4431N -3.21 0.94 -2.46 -4.49 -1.32 -0.31 -1.47 115.64 103.32 1bos s THR 4431Ca 0.11 -1.29 0.22 0.00 -1.21 0.00 0.00 61.69 59.52 1bos s THR 4431Cb 0.02 -0.98 0.31 0.00 -1.51 0.00 0.00 72.50 70.34 1bos s THR 4431CO -0.02 -0.31 1.29 -0.46 -2.21 0.00 0.00 174.62 172.91 1bos n ASN 4432N 1.23 3.15 -4.61 8.08 6.94 -1.26 -1.28 115.26 127.51 1bos n ASN 4432Ca -0.21 -1.94 -0.43 0.00 -0.02 0.00 0.00 54.58 51.98 1bos n ASN 4432Cb 0.55 -0.14 -0.03 0.00 -2.36 0.00 0.00 39.78 37.79 1bos n ASN 4432CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1bos s ARG 4433N -1.57 3.84 0.42 -3.83 1.81 -1.26 -4.93 118.95 113.43 1bos s ARG 4433Ca 0.32 0.66 0.15 0.00 -1.72 0.00 0.00 55.73 55.14 1bos s ARG 4433Cb 0.20 -3.82 0.92 0.00 -0.45 0.00 0.00 34.95 31.80 1bos s ARG 4433CO 0.29 -1.06 1.92 -1.49 -0.68 0.00 0.00 175.30 174.28 1bos h TRP 4434N 8.60 0.00 -0.37 -0.53 4.06 -1.92 -2.17 115.95 123.63 1bos h TRP 4434Ca -0.23 0.00 0.08 0.00 2.06 0.00 0.00 58.89 60.80 1bos h TRP 4434Cb 1.07 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.21 1bos h TRP 4434CO 0.87 0.27 0.25 -0.91 -3.56 0.00 0.00 178.44 175.36 1bos h ASN 4435N 0.00 0.13 0.99 -3.49 2.35 -2.01 -2.46 115.58 111.09 1bos h ASN 4435Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1bos h ASN 4435Cb 0.49 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1bos h ASN 4435CO 0.03 0.09 0.00 0.18 -1.65 0.00 0.00 177.43 176.08 1bos n LEU 4436N -4.46 0.36 0.13 1.61 4.77 -0.82 -4.09 117.00 114.50 1bos n LEU 4436Ca 0.05 0.55 -0.14 0.00 -0.03 0.00 0.00 56.01 56.45 1bos n LEU 4436Cb 0.33 -0.46 -0.08 0.00 -2.33 0.00 0.00 43.42 40.88 1bos n LEU 4436CO 0.35 -0.21 0.72 1.56 -1.33 0.00 0.00 177.39 178.48 1bos h GLN 4437N 0.00 -0.28 0.00 3.23 4.20 -1.59 -0.69 115.11 119.98 1bos h GLN 4437Ca 0.00 0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.58 1bos h GLN 4437Cb 0.49 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1bos h GLN 4437CO 0.00 -0.08 -0.69 0.66 -0.67 0.00 0.00 178.83 178.06 1bos h SER 4438N -0.43 0.00 -0.43 1.46 4.64 -1.80 -2.16 113.55 114.83 1bos h SER 4438Ca -0.03 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 1bos h SER 4438Cb 0.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 1bos h SER 4438CO 0.05 0.69 0.19 -0.07 -0.87 0.00 0.00 176.83 176.82 1bos h LEU 4439N 0.00 0.58 -0.54 5.97 3.38 -1.68 -0.77 115.31 122.25 1bos h LEU 4439Ca -0.01 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.66 1bos h LEU 4439Cb 1.32 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1bos h LEU 4439CO 0.09 0.56 -0.56 -0.07 0.09 0.00 0.00 178.44 178.55 1bos h LEU 4440N 0.55 0.56 -0.88 1.67 3.38 -1.05 -1.19 115.31 118.35 1bos h LEU 4440Ca 0.15 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.71 1bos h LEU 4440Cb 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1bos h LEU 4440CO -0.02 1.00 -0.32 0.25 0.09 0.00 0.00 178.44 179.45 1bos h LEU 4441N 0.38 0.45 -0.43 1.67 5.85 -1.15 -1.11 115.31 120.98 1bos h LEU 4441Ca 0.00 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 1bos h LEU 4441Cb 1.10 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 1bos h LEU 4441CO 0.10 0.75 0.04 0.28 -0.34 0.00 0.00 178.44 179.28 1bos h SER 4442N 0.38 0.70 -0.78 1.25 0.02 -0.91 -1.05 113.55 113.16 1bos h SER 4442Ca 0.05 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1bos h SER 4442Cb 0.76 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.07 1bos h SER 4442CO 0.06 0.81 0.51 0.00 -1.14 0.00 0.00 176.83 177.07 1bos h ALA 4443N 0.92 1.44 0.28 3.77 0.00 -0.88 -0.77 119.26 124.02 1bos h ALA 4443Ca 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1bos h ALA 4443Cb 0.42 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1bos h ALA 4443CO 0.01 0.52 -0.14 0.37 0.00 0.00 0.00 179.25 180.02 1bos h GLN 4444N 1.06 -0.37 -0.61 0.00 4.15 -0.71 -1.62 115.11 117.01 1bos h GLN 4444Ca 0.29 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.79 1bos h GLN 4444Cb -0.12 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.60 1bos h GLN 4444CO -0.06 -0.05 0.33 0.82 -1.93 0.00 0.00 178.83 177.93 1bos h ILE 4445N -0.71 0.96 -0.26 2.39 2.04 -1.03 -2.44 117.51 118.45 1bos h ILE 4445Ca -0.04 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1bos h ILE 4445Cb 0.49 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1bos h ILE 4445CO 0.06 0.11 0.00 0.35 0.00 0.00 0.00 178.15 178.68 1bos n THR 4446N -4.83 0.34 -2.28 -0.27 -2.24 -0.31 -4.95 114.28 99.75 1bos n THR 4446Ca 0.07 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.30 1bos n THR 4446Cb 0.16 0.36 -0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1bos n THR 4446CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bos n GLY 4447N 1.14 -0.11 3.76 3.38 0.00 -0.77 -5.01 105.19 107.57 1bos n GLY 4447Ca 0.15 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1bos n GLY 4447CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1bos s MET 4448N -4.66 2.14 -0.20 1.61 -1.94 -0.68 -5.00 119.30 110.57 1bos s MET 4448Ca 0.02 1.22 -0.13 0.00 -1.71 0.00 0.00 55.69 55.09 1bos s MET 4448Cb -0.01 -1.88 -0.05 0.00 2.01 0.00 0.00 34.83 34.91 1bos s MET 4448CO 0.02 -1.74 0.27 0.99 -0.01 0.00 0.00 175.02 174.55 1bos s THR 4449N -2.85 5.30 0.11 2.05 2.01 -0.46 -4.37 115.64 117.43 1bos s THR 4449Ca 0.62 0.46 0.10 0.00 0.31 0.00 0.00 61.69 63.17 1bos s THR 4449Cb -0.18 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 1bos s THR 4449CO 0.56 0.34 -0.22 0.68 -0.69 0.00 0.00 174.62 175.29 1bos s VAL 4450N 0.84 2.59 -0.18 3.82 -7.23 -0.21 -1.94 120.40 118.10 1bos s VAL 4450Ca 0.14 -1.57 -0.00 0.00 -1.81 0.00 0.00 61.98 58.74 1bos s VAL 4450Cb -0.13 -2.16 0.01 0.00 0.56 0.00 0.00 36.38 34.65 1bos s VAL 4450CO 0.04 0.12 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.92 1bos s THR 4451N -1.08 2.51 -0.20 5.32 2.01 -0.78 -1.82 115.64 121.59 1bos s THR 4451Ca 0.16 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 61.25 1bos s THR 4451Cb -0.10 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 1bos s THR 4451CO 0.08 0.51 0.17 -0.63 -0.69 0.00 0.00 174.62 174.06 1bos s ILE 4452N 1.21 5.37 -0.22 1.82 1.01 -0.45 -1.08 121.20 128.88 1bos s ILE 4452Ca 0.02 0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.88 1bos s ILE 4452Cb -0.14 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 1bos s ILE 4452CO -0.07 0.40 0.03 -0.54 0.00 0.00 0.00 174.94 174.76 1bos s LYS 4453N 0.59 3.67 -0.13 2.79 1.02 -0.96 -0.65 119.74 126.07 1bos s LYS 4453Ca 0.10 -0.48 -0.30 0.00 0.02 0.00 0.00 55.97 55.31 1bos s LYS 4453Cb -0.12 -3.18 0.09 0.00 -0.52 0.00 0.00 37.83 34.10 1bos s LYS 4453CO 0.01 -0.03 0.82 -0.08 -0.92 0.00 0.00 175.35 175.15 1bos s THR 4454N 1.15 0.00 -0.42 2.17 -1.32 -0.87 -4.01 115.64 112.34 1bos s THR 4454Ca 0.03 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.74 1bos s THR 4454Cb -0.14 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.16 1bos s THR 4454CO 0.02 0.00 1.59 0.78 -2.21 0.00 0.00 174.62 174.81 1bos h ASN 4455N 3.14 0.00 -1.60 8.08 -0.26 -1.87 -3.36 115.58 119.71 1bos h ASN 4455Ca -0.24 0.00 -0.77 0.00 -0.56 0.00 0.00 56.30 54.73 1bos h ASN 4455Cb 1.15 0.00 -0.18 0.00 -1.06 0.00 0.00 38.32 38.24 1bos h ASN 4455CO 0.31 0.04 1.89 0.00 -1.06 0.00 0.00 177.43 178.61 1bos n ALA 4456N -2.11 6.35 -2.21 -0.83 0.00 -1.26 -4.89 120.51 115.56 1bos n ALA 4456Ca 0.04 -4.30 -0.43 0.00 0.00 0.00 0.00 53.44 48.75 1bos n ALA 4456Cb 0.55 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.39 1bos n ALA 4456CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bos s HIS 4458N 2.75 -0.31 0.23 0.00 -3.43 -1.26 -5.06 115.29 108.21 1bos s HIS 4458Ca 0.47 0.02 -0.32 0.00 -0.80 0.00 0.00 55.06 54.43 1bos s HIS 4458Cb 0.09 0.40 -0.13 0.00 -1.43 0.00 0.00 32.58 31.50 1bos s HIS 4458CO -0.02 -0.80 1.49 0.09 -2.00 0.00 0.00 174.74 173.50 1bos n ASN 4459N -0.31 3.05 0.00 7.38 3.02 -1.26 -1.36 115.26 125.78 1bos n ASN 4459Ca -0.15 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 1bos n ASN 4459Cb 0.64 -1.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.35 1bos n ASN 4459CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bos n GLY 4460N 2.54 1.24 3.80 7.41 0.00 -0.20 -4.98 105.19 115.00 1bos n GLY 4460Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1bos n GLY 4460CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bos s GLY 4461N -1.78 2.04 0.31 -0.02 0.00 -0.46 -4.74 107.32 102.67 1bos s GLY 4461Ca 0.00 0.36 0.04 0.00 0.00 0.00 0.00 44.72 45.12 1bos s GLY 4461CO 0.00 0.69 0.47 -0.32 0.00 0.00 0.00 173.10 173.93 1bos s GLY 4462N -2.93 1.38 0.15 0.20 0.00 -1.26 -1.52 107.32 103.33 1bos s GLY 4462Ca 0.63 -1.20 -0.11 0.00 0.00 0.00 0.00 44.72 44.04 1bos s GLY 4462CO 0.41 -1.15 0.33 -0.11 0.00 0.00 0.00 173.10 172.58 1bos s PHE 4463N -2.17 0.18 0.00 1.90 -0.71 -0.54 -4.53 117.98 112.11 1bos s PHE 4463Ca 0.40 -0.55 0.00 0.00 -1.04 0.00 0.00 56.93 55.74 1bos s PHE 4463Cb -0.09 0.07 0.00 0.00 -1.21 0.00 0.00 43.02 41.79 1bos s PHE 4463CO 0.32 -0.73 0.00 -1.13 -1.34 0.00 0.00 175.22 172.34 1bos n SER 4464N -0.22 0.05 -4.72 1.98 3.41 -1.26 -4.40 113.62 108.46 1bos n SER 4464Ca -0.10 -0.01 -0.35 0.00 -0.26 0.00 0.00 58.87 58.15 1bos n SER 4464Cb 0.63 0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.52 1bos n SER 4464CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1bos s GLU 4465N -0.03 4.17 -0.01 4.33 2.02 -1.26 -5.06 118.70 122.86 1bos s GLU 4465Ca 0.00 -0.21 0.00 0.00 0.02 0.00 0.00 54.97 54.79 1bos s GLU 4465Cb 0.00 -3.44 0.01 0.00 0.10 0.00 0.00 34.13 30.80 1bos s GLU 4465CO 0.00 0.25 -0.00 0.08 0.02 0.00 0.00 175.26 175.61 1bos s VAL 4466N 0.49 0.09 -0.13 2.63 1.01 -1.26 -2.27 120.40 120.96 1bos s VAL 4466Ca 0.09 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 1bos s VAL 4466Cb -0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1bos s VAL 4466CO -0.00 0.06 0.04 -0.63 0.00 0.00 0.00 175.10 174.57 1bos s ILE 4467N 0.37 4.64 -0.18 2.22 1.01 -0.24 -4.96 121.20 124.07 1bos s ILE 4467Ca -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.48 1bos s ILE 4467Cb -0.05 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 1bos s ILE 4467CO -0.01 0.55 -0.08 -0.36 0.00 0.00 0.00 174.94 175.04 1bos s PHE 4468N -0.34 2.92 0.00 3.97 0.40 -1.26 -1.87 117.98 121.79 1bos s PHE 4468Ca 0.08 -0.72 0.00 0.00 -0.60 0.00 0.00 56.93 55.69 1bos s PHE 4468Cb -0.12 -1.98 0.00 0.00 0.51 0.00 0.00 43.02 41.43 1bos s PHE 4468CO 0.02 -0.34 0.29 0.54 0.70 0.00 0.00 175.22 176.43