#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k5r n GLY 1 N 0.00 -2.03 3.72 0.46 0.00 -1.26 -4.86 105.19 101.22 3k5r n GLY 1 Ca 0.00 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 3k5r n GLY 1 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k5r s ILE 2 N -1.12 2.86 -0.04 -0.61 1.01 -1.26 -4.20 121.20 117.85 3k5r s ILE 2 Ca 0.00 0.61 0.02 0.00 0.00 0.00 0.00 60.65 61.28 3k5r s ILE 2 Cb 0.00 -3.39 0.01 0.00 0.01 0.00 0.00 42.46 39.09 3k5r s ILE 2 CO 0.00 0.04 -0.08 -0.69 0.00 0.00 0.00 174.94 174.21 3k5r s VAL 3 N 1.21 0.77 0.18 2.92 1.01 0.50 -4.98 120.40 122.00 3k5r s VAL 3 Ca 0.68 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.41 3k5r s VAL 3 Cb -0.41 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 3k5r s VAL 3 CO 0.31 0.26 -0.12 0.68 0.00 0.00 0.00 175.10 176.23 3k5r s VAL 4 N 0.49 1.46 0.10 2.92 -7.23 -1.26 -1.12 120.40 115.77 3k5r s VAL 4 Ca -0.08 -2.14 0.06 0.00 -1.81 0.00 0.00 61.98 58.01 3k5r s VAL 4 Cb -0.12 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 3k5r s VAL 4 CO 0.01 -0.66 -0.14 -0.44 -0.31 0.00 0.00 175.10 173.56 3k5r s SER 5 N -3.25 1.90 0.50 4.85 0.01 -1.26 -4.77 113.70 111.69 3k5r s SER 5 Ca 0.20 -0.74 -0.23 0.00 1.31 0.00 0.00 55.95 56.49 3k5r s SER 5 Cb 0.01 -0.06 -0.07 0.00 0.21 0.00 0.00 66.02 66.11 3k5r s SER 5 CO 0.04 -0.12 1.33 -2.65 0.41 0.00 0.00 173.24 172.25 3k5r n PRO 6 N 0.80 1.81 -3.80 12.44 -0.02 -1.26 -4.75 135.00 140.22 3k5r n PRO 6 Ca -0.18 0.66 -0.36 0.00 -2.02 0.00 0.00 63.50 61.60 3k5r n PRO 6 Cb 0.56 -2.51 -0.13 0.00 -0.02 0.00 0.00 33.50 31.40 3k5r n PRO 6 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3k5r s ILE 7 N -1.26 3.86 -0.18 4.25 1.01 0.12 -5.01 121.20 124.00 3k5r s ILE 7 Ca 0.67 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.71 3k5r s ILE 7 Cb -0.45 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 3k5r s ILE 7 CO 0.53 0.22 0.07 -0.76 0.00 0.00 0.00 174.94 175.00 3k5r s LEU 8 N 1.51 3.87 -0.13 2.97 1.02 -1.26 -0.26 118.68 126.40 3k5r s LEU 8 Ca 0.04 0.11 -0.01 0.00 0.02 0.00 0.00 54.13 54.29 3k5r s LEU 8 Cb -0.16 -1.98 0.04 0.00 0.02 0.00 0.00 46.19 44.11 3k5r s LEU 8 CO 0.01 0.19 -0.03 -0.63 0.02 0.00 0.00 176.35 175.91 3k5r s ILE 9 N 0.30 0.78 0.27 -0.59 1.01 0.06 -4.95 121.20 118.09 3k5r s ILE 9 Ca 0.04 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 3k5r s ILE 9 Cb -0.12 -0.95 -0.13 0.00 0.01 0.00 0.00 42.46 41.27 3k5r s ILE 9 CO -0.00 0.19 1.42 -2.65 0.00 0.00 0.00 174.94 173.89 3k5r n PRO 10 N 5.00 2.17 -1.11 2.79 -0.02 -1.26 -0.49 135.00 142.08 3k5r n PRO 10 Ca -0.10 0.77 -0.29 0.00 -2.02 0.00 0.00 63.50 61.86 3k5r n PRO 10 Cb 0.49 -2.43 0.17 0.00 -0.02 0.00 0.00 33.50 31.71 3k5r n PRO 10 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3k5r s GLU 11 N -0.73 0.62 -1.45 -0.52 -1.05 0.30 -4.04 118.70 111.83 3k5r s GLU 11 Ca 0.65 0.69 -0.06 0.00 -0.15 0.00 0.00 54.97 56.09 3k5r s GLU 11 Cb -0.61 -1.75 0.03 0.00 -0.44 0.00 0.00 34.13 31.37 3k5r s GLU 11 CO 0.52 -2.64 0.56 0.09 0.95 0.00 0.00 175.26 174.74 3k5r n ASN 12 N -4.14 -5.24 -4.74 0.83 5.03 0.50 -4.81 115.26 102.68 3k5r n ASN 12 Ca 0.06 -0.32 -0.37 0.00 0.87 0.00 0.00 54.58 54.81 3k5r n ASN 12 Cb 0.56 -4.26 0.05 0.00 -1.02 0.00 0.00 39.78 35.10 3k5r n ASN 12 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3k5r s GLN 13 N -5.81 2.94 0.44 3.52 -0.21 -1.26 -4.99 119.66 114.29 3k5r s GLN 13 Ca 0.34 2.10 -0.12 0.00 0.02 0.00 0.00 55.36 57.70 3k5r s GLN 13 Cb -0.16 -2.07 -0.07 0.00 1.00 0.00 0.00 33.01 31.71 3k5r s GLN 13 CO 0.42 -1.31 0.83 1.03 -2.12 0.00 0.00 175.29 174.14 3k5r s ARG 14 N -3.12 3.80 0.60 2.91 0.52 -1.26 -4.64 118.95 117.77 3k5r s ARG 14 Ca 0.76 0.58 -0.19 0.00 -0.52 0.00 0.00 55.73 56.36 3k5r s ARG 14 Cb -0.37 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 32.74 3k5r s ARG 14 CO 0.42 -0.12 1.19 0.94 0.02 0.00 0.00 175.30 177.76 3k5r n GLN 15 N -1.45 1.19 -3.37 3.54 -0.06 -1.26 -4.64 117.38 111.32 3k5r n GLN 15 Ca 0.03 0.45 -0.28 0.00 -2.00 0.00 0.00 57.00 55.21 3k5r n GLN 15 Cb 0.54 -2.41 -0.03 0.00 -4.06 0.00 0.00 30.24 24.28 3k5r n GLN 15 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 3k5r s PRO 16 N -3.01 3.60 0.24 3.69 0.04 -1.26 -5.20 135.00 133.10 3k5r s PRO 16 Ca 0.77 -0.07 0.10 0.00 0.04 0.00 0.00 61.00 61.85 3k5r s PRO 16 Cb -0.41 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 3k5r s PRO 16 CO 0.45 0.22 -0.07 -0.06 0.04 0.00 0.00 177.00 177.58 3k5r s PHE 17 N -2.09 2.59 0.72 0.56 0.40 -1.26 -4.56 117.98 114.34 3k5r s PHE 17 Ca 0.43 -0.25 -0.11 0.00 -0.60 0.00 0.00 56.93 56.40 3k5r s PHE 17 Cb -0.11 -1.18 0.03 0.00 0.51 0.00 0.00 43.02 42.27 3k5r s PHE 17 CO 0.31 0.61 1.08 -1.25 0.70 0.00 0.00 175.22 176.66 3k5r s PRO 18 N -3.39 2.66 -0.04 0.24 0.04 -1.26 -5.03 135.00 128.22 3k5r s PRO 18 Ca 0.29 1.09 0.05 0.00 0.04 0.00 0.00 61.00 62.47 3k5r s PRO 18 Cb -0.07 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 3k5r s PRO 18 CO 0.17 -1.32 -0.19 1.03 0.04 0.00 0.00 177.00 176.73 3k5r s ARG 19 N -4.87 1.91 0.22 4.56 1.81 -0.30 -4.97 118.95 117.31 3k5r s ARG 19 Ca 0.60 -0.69 -0.30 0.00 -1.72 0.00 0.00 55.73 53.62 3k5r s ARG 19 Cb -0.16 -1.68 -0.09 0.00 -0.45 0.00 0.00 34.95 32.57 3k5r s ARG 19 CO 0.53 0.31 1.32 -0.51 -0.68 0.00 0.00 175.30 176.28 3k5r s ASP 20 N -0.10 6.86 0.00 0.23 -0.00 -1.26 -1.02 116.67 121.37 3k5r s ASP 20 Ca -0.02 2.47 0.00 0.00 -0.00 0.00 0.00 52.55 55.00 3k5r s ASP 20 Cb -0.11 -2.62 0.00 0.00 -0.00 0.00 0.00 42.92 40.19 3k5r s ASP 20 CO 0.02 -0.55 0.00 1.33 -0.00 0.00 0.00 175.17 175.97 3k5r n VAL 21 N 2.39 0.00 -3.78 -1.27 0.24 0.09 -4.91 118.33 111.09 3k5r n VAL 21 Ca 0.05 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3k5r n VAL 21 Cb 0.42 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 3k5r n VAL 21 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k5r n GLY 22 N 1.42 0.73 3.41 7.63 0.00 -1.07 -4.72 105.19 112.59 3k5r n GLY 22 Ca 0.00 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 3k5r n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k5r s LYS 23 N -2.00 0.72 -0.17 1.61 -2.85 -1.26 -0.67 119.74 115.12 3k5r s LYS 23 Ca 0.03 0.44 -0.09 0.00 -1.00 0.00 0.00 55.97 55.36 3k5r s LYS 23 Cb -0.00 0.34 -0.05 0.00 -2.06 0.00 0.00 37.83 36.06 3k5r s LYS 23 CO 0.00 -0.15 0.13 0.08 0.10 0.00 0.00 175.35 175.51 3k5r s VAL 24 N -0.37 5.42 -0.06 1.79 1.01 0.15 -4.36 120.40 123.98 3k5r s VAL 24 Ca -0.05 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 3k5r s VAL 24 Cb -0.03 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3k5r s VAL 24 CO 0.03 0.50 0.03 -0.69 0.00 0.00 0.00 175.10 174.98 3k5r s VAL 25 N -0.11 4.51 -0.31 2.92 1.01 -0.27 -4.52 120.40 123.62 3k5r s VAL 25 Ca 0.10 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 61.85 3k5r s VAL 25 Cb -0.11 -2.96 0.20 0.00 0.00 0.00 0.00 36.38 33.50 3k5r s VAL 25 CO 0.00 0.51 0.60 -0.62 0.00 0.00 0.00 175.10 175.60 3k5r s ASP 26 N -1.21 -1.60 0.52 3.32 -1.08 -1.26 -0.37 116.67 114.99 3k5r s ASP 26 Ca 0.17 0.04 0.31 0.00 -0.52 0.00 0.00 52.55 52.55 3k5r s ASP 26 Cb -0.12 2.01 1.13 0.00 -1.46 0.00 0.00 42.92 44.49 3k5r s ASP 26 CO 0.06 -0.28 1.90 0.77 0.52 0.00 0.00 175.17 178.15 3k5r h SER 27 N 7.83 0.00 0.00 -0.34 4.64 -1.91 -3.32 113.55 120.45 3k5r h SER 27 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k5r h SER 27 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3k5r h SER 27 CO 0.14 0.02 -0.19 -0.90 -0.87 0.00 0.00 176.83 175.03 3k5r n ASP 28 N -3.11 1.01 -2.44 4.97 5.75 -1.26 -5.01 116.55 116.45 3k5r n ASP 28 Ca 0.01 -2.16 -0.31 0.00 -0.01 0.00 0.00 54.79 52.33 3k5r n ASP 28 Cb 0.36 -0.21 -0.04 0.00 -1.03 0.00 0.00 41.12 40.21 3k5r n ASP 28 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3k5r n ARG 29 N -0.51 0.00 -1.28 0.11 0.63 -1.25 -4.88 116.66 109.47 3k5r n ARG 29 Ca 0.05 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.64 3k5r n ARG 29 Cb 0.58 -0.74 0.11 0.00 0.45 0.00 0.00 32.46 32.86 3k5r n ARG 29 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3k5r s PRO 30 N -0.15 1.88 0.22 -0.14 0.02 -1.26 -4.93 135.00 130.64 3k5r s PRO 30 Ca 0.46 1.83 -0.32 0.00 0.02 0.00 0.00 61.00 62.99 3k5r s PRO 30 Cb -0.64 -1.79 -0.14 0.00 0.02 0.00 0.00 34.50 31.94 3k5r s PRO 30 CO 0.31 -2.05 1.38 -1.91 -0.33 0.00 0.00 177.00 174.39 3k5r n GLU 31 N -2.94 1.88 -0.12 5.54 2.13 -1.26 -2.28 120.64 123.58 3k5r n GLU 31 Ca 0.14 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.63 3k5r n GLU 31 Cb 0.50 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 29.90 3k5r n GLU 31 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3k5r n GLY 32 N 2.22 1.68 3.66 8.31 0.00 -1.26 -4.96 105.19 114.84 3k5r n GLY 32 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3k5r n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k5r s SER 33 N -3.21 2.47 0.05 1.61 0.01 -0.97 -3.42 113.70 110.25 3k5r s SER 33 Ca 0.00 1.26 -0.14 0.00 1.31 0.00 0.00 55.95 58.39 3k5r s SER 33 Cb 0.00 -1.94 0.02 0.00 0.21 0.00 0.00 66.02 64.31 3k5r s SER 33 CO 0.00 -3.24 0.30 -0.54 0.41 0.00 0.00 173.24 170.18 3k5r s LYS 34 N -4.90 0.83 0.31 12.44 1.02 -0.65 -4.92 119.74 123.87 3k5r s LYS 34 Ca 0.66 -0.55 -0.20 0.00 0.02 0.00 0.00 55.97 55.90 3k5r s LYS 34 Cb -0.19 0.36 -0.09 0.00 -0.52 0.00 0.00 37.83 37.38 3k5r s LYS 34 CO 0.58 -0.27 0.81 -0.06 -0.92 0.00 0.00 175.35 175.50 3k5r s PHE 35 N -2.71 3.52 -0.09 3.18 0.08 0.19 -0.99 117.98 121.15 3k5r s PHE 35 Ca -0.04 1.46 0.00 0.00 0.12 0.00 0.00 56.93 58.47 3k5r s PHE 35 Cb -0.00 -2.70 0.02 0.00 -0.57 0.00 0.00 43.02 39.77 3k5r s PHE 35 CO -0.04 0.16 -0.08 0.50 -0.10 0.00 0.00 175.22 175.66 3k5r s ARG 36 N -2.49 1.42 -0.11 0.44 3.52 0.24 -4.48 118.95 117.49 3k5r s ARG 36 Ca 0.51 -0.25 -0.02 0.00 -0.13 0.00 0.00 55.73 55.84 3k5r s ARG 36 Cb -0.14 -1.41 -0.03 0.00 -1.56 0.00 0.00 34.95 31.81 3k5r s ARG 36 CO 0.19 -0.18 -0.02 -1.17 -0.81 0.00 0.00 175.30 173.31 3k5r s LEU 37 N 1.39 3.42 0.21 -0.88 2.96 -1.26 -1.28 118.68 123.24 3k5r s LEU 37 Ca -0.02 0.03 -0.06 0.00 -0.22 0.00 0.00 54.13 53.87 3k5r s LEU 37 Cb -0.13 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 3k5r s LEU 37 CO -0.04 0.30 0.26 0.42 -1.32 0.00 0.00 176.35 175.97 3k5r s THR 38 N -0.41 0.01 0.00 3.68 -4.23 -0.05 -4.76 115.64 109.87 3k5r s THR 38 Ca 0.07 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 3k5r s THR 38 Cb -0.12 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.36 3k5r s THR 38 CO 0.02 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3k5r n GLY 39 N -0.30 1.28 3.67 3.99 0.00 -1.26 -1.21 105.19 111.36 3k5r n GLY 39 Ca 0.00 -2.20 -0.47 0.00 0.00 0.00 0.00 46.02 43.35 3k5r n GLY 39 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3k5r n LYS 40 N -1.23 2.20 -0.17 1.61 4.81 -1.25 -0.91 118.16 123.22 3k5r n LYS 40 Ca 0.00 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.24 3k5r n LYS 40 Cb 0.00 -2.60 0.00 0.00 0.02 0.00 0.00 35.03 32.45 3k5r n LYS 40 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k5r n GLY 41 N 3.84 0.77 0.00 3.14 0.00 0.02 -4.65 105.19 108.31 3k5r n GLY 41 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3k5r n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k5r n VAL 42 N -2.00 0.00 0.25 1.61 0.31 -0.09 0.14 118.33 118.55 3k5r n VAL 42 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 3k5r n VAL 42 Cb 0.00 -0.31 0.18 0.00 -0.91 0.00 0.00 33.84 32.81 3k5r n VAL 42 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3k5r n ASP 43 N -0.62 3.21 -4.16 4.52 5.75 -1.06 -0.21 116.55 123.98 3k5r n ASP 43 Ca 0.00 -1.93 -0.15 0.00 -0.01 0.00 0.00 54.79 52.70 3k5r n ASP 43 Cb 0.00 -0.22 -0.11 0.00 -1.03 0.00 0.00 41.12 39.76 3k5r n ASP 43 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3k5r s GLN 44 N -1.34 0.80 0.21 0.11 -0.21 -1.06 -4.96 119.66 113.21 3k5r s GLN 44 Ca 0.33 -1.05 -0.27 0.00 0.02 0.00 0.00 55.36 54.40 3k5r s GLN 44 Cb 0.20 -0.60 -0.17 0.00 1.00 0.00 0.00 33.01 33.44 3k5r s GLN 44 CO 0.27 0.11 0.48 -0.25 -2.12 0.00 0.00 175.29 173.78 3k5r n ASP 45 N 0.89 -1.33 -3.65 5.90 8.00 -1.26 -0.80 116.55 124.30 3k5r n ASP 45 Ca -0.18 1.09 -0.14 0.00 0.71 0.00 0.00 54.79 56.26 3k5r n ASP 45 Cb 0.56 -0.93 0.01 0.00 -0.02 0.00 0.00 41.12 40.74 3k5r n ASP 45 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3k5r n PRO 46 N 1.00 -0.72 -1.76 -0.24 -0.02 -1.26 -3.40 135.00 128.60 3k5r n PRO 46 Ca 0.17 -0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.04 3k5r n PRO 46 Cb 0.26 -0.31 0.01 0.00 -0.02 0.00 0.00 33.50 33.43 3k5r n PRO 46 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3k5r n LYS 47 N -2.09 2.49 -1.11 -0.52 5.02 -1.21 -2.91 118.16 117.83 3k5r n LYS 47 Ca -0.05 0.88 -0.04 0.00 -2.02 0.00 0.00 58.31 57.08 3k5r n LYS 47 Cb 0.20 -2.63 -0.02 0.00 -0.02 0.00 0.00 35.03 32.57 3k5r n LYS 47 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k5r n GLY 48 N 0.52 0.63 0.12 0.72 0.00 0.71 -4.86 105.19 103.02 3k5r n GLY 48 Ca 0.03 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 3k5r n GLY 48 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3k5r h THR 49 N 0.00 1.18 -3.16 2.61 2.02 -0.18 -3.42 112.91 111.97 3k5r h THR 49 Ca -0.08 -0.58 -0.65 0.00 0.77 0.00 0.00 66.41 65.88 3k5r h THR 49 Cb 0.44 1.22 -0.17 0.00 -1.74 0.00 0.00 68.15 67.89 3k5r h THR 49 CO 0.11 0.18 -0.79 -0.36 0.37 0.00 0.00 175.52 175.03 3k5r s PHE 50 N -5.41 2.41 0.02 3.16 0.40 -0.27 -1.22 117.98 117.07 3k5r s PHE 50 Ca -0.14 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 3k5r s PHE 50 Cb 0.07 -1.19 -0.02 0.00 0.51 0.00 0.00 43.02 42.39 3k5r s PHE 50 CO 0.71 0.50 -0.03 0.50 0.70 0.00 0.00 175.22 177.60 3k5r s ARG 51 N -2.70 0.28 0.06 0.44 3.52 -0.46 -4.63 118.95 115.47 3k5r s ARG 51 Ca 0.22 -0.51 0.06 0.00 -0.13 0.00 0.00 55.73 55.37 3k5r s ARG 51 Cb -0.08 0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 33.31 3k5r s ARG 51 CO 0.11 -0.03 -0.10 -1.50 -0.81 0.00 0.00 175.30 172.97 3k5r s ILE 52 N -1.16 3.36 -0.21 4.11 2.07 -1.26 -0.71 121.20 127.40 3k5r s ILE 52 Ca -0.12 -1.08 -0.29 0.00 -1.41 0.00 0.00 60.65 57.75 3k5r s ILE 52 Cb -0.08 -2.51 0.00 0.00 0.13 0.00 0.00 42.46 40.01 3k5r s ILE 52 CO -0.01 0.25 1.10 0.21 -1.91 0.00 0.00 174.94 174.59 3k5r s ASN 53 N -1.79 7.06 0.23 4.50 3.04 0.94 -4.91 114.94 124.01 3k5r s ASN 53 Ca 0.19 1.47 0.20 0.00 0.04 0.00 0.00 52.86 54.76 3k5r s ASN 53 Cb -0.11 -2.54 0.93 0.00 -1.54 0.00 0.00 41.25 37.99 3k5r s ASN 53 CO 0.10 -0.69 1.61 -1.84 -3.04 0.00 0.00 177.10 173.24 3k5r n GLU 54 N 6.37 0.14 -0.11 0.43 0.28 -1.26 -1.32 120.64 125.17 3k5r n GLU 54 Ca 0.12 0.49 -0.17 0.00 -0.16 0.00 0.00 57.16 57.44 3k5r n GLU 54 Cb 0.46 -1.84 -0.10 0.00 1.43 0.00 0.00 31.44 31.39 3k5r n GLU 54 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3k5r n ASN 55 N -2.11 2.17 0.09 -1.84 3.02 -1.26 0.57 115.26 115.89 3k5r n ASN 55 Ca 0.01 -0.04 0.12 0.00 -0.03 0.00 0.00 54.58 54.64 3k5r n ASN 55 Cb 0.13 -0.41 0.02 0.00 -0.61 0.00 0.00 39.78 38.91 3k5r n ASN 55 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3k5r n THR 56 N -3.32 0.57 -0.98 3.41 -2.24 -1.20 -4.92 114.28 105.58 3k5r n THR 56 Ca -0.40 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 3k5r n THR 56 Cb 0.90 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 3k5r n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k5r n GLY 57 N 1.21 0.51 3.70 3.38 0.00 -0.43 -4.78 105.19 108.77 3k5r n GLY 57 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3k5r n GLY 57 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k5r s SER 58 N -2.17 6.77 -0.18 1.61 0.15 -1.26 0.30 113.70 118.92 3k5r s SER 58 Ca 0.00 2.30 -0.08 0.00 0.70 0.00 0.00 55.95 58.88 3k5r s SER 58 Cb 0.00 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 3k5r s SER 58 CO 0.00 -0.74 0.07 -0.69 1.20 0.00 0.00 173.24 173.08 3k5r s VAL 59 N 1.95 4.91 0.18 4.45 1.01 0.15 -0.04 120.40 133.02 3k5r s VAL 59 Ca 0.67 0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.74 3k5r s VAL 59 Cb -0.36 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3k5r s VAL 59 CO 0.29 0.47 -0.17 -0.94 0.00 0.00 0.00 175.10 174.76 3k5r s SER 60 N 0.22 2.63 -0.11 3.32 1.04 0.12 -0.73 113.70 120.19 3k5r s SER 60 Ca 0.05 -0.92 -0.02 0.00 0.48 0.00 0.00 55.95 55.53 3k5r s SER 60 Cb -0.12 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.82 3k5r s SER 60 CO 0.00 -0.09 -0.03 0.54 0.98 0.00 0.00 173.24 174.64 3k5r s VAL 61 N -2.42 3.96 -2.01 5.02 0.11 -0.19 -1.35 120.40 123.52 3k5r s VAL 61 Ca 0.18 -0.36 0.22 0.00 -2.93 0.00 0.00 61.98 59.10 3k5r s VAL 61 Cb -0.04 -2.69 -0.00 0.00 -1.53 0.00 0.00 36.38 32.12 3k5r s VAL 61 CO 0.07 0.55 1.07 0.35 -3.33 0.00 0.00 175.10 173.81 3k5r n THR 62 N 2.82 0.00 -3.81 5.04 -2.24 -0.36 -1.15 114.28 114.59 3k5r n THR 62 Ca -0.18 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.23 3k5r n THR 62 Cb 0.53 1.26 -0.04 0.00 -2.10 0.00 0.00 70.33 69.98 3k5r n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k5r s ARG 63 N -2.39 1.37 0.40 -0.78 1.70 -1.26 -4.64 118.95 113.35 3k5r s ARG 63 Ca 0.18 -0.96 -0.25 0.00 -0.47 0.00 0.00 55.73 54.23 3k5r s ARG 63 Cb 0.18 0.49 -0.08 0.00 -0.57 0.00 0.00 34.95 34.97 3k5r s ARG 63 CO 0.54 -0.57 1.15 -0.08 -1.08 0.00 0.00 175.30 175.26 3k5r s THR 64 N -3.91 3.26 0.20 4.99 -1.32 -1.26 -4.97 115.64 112.63 3k5r s THR 64 Ca 0.12 1.03 0.10 0.00 -1.21 0.00 0.00 61.69 61.73 3k5r s THR 64 Cb -0.00 -3.57 -0.04 0.00 -1.51 0.00 0.00 72.50 67.38 3k5r s THR 64 CO -0.01 0.07 -0.13 -0.76 -2.21 0.00 0.00 174.62 171.59 3k5r s LEU 65 N -2.55 2.84 -0.16 9.08 1.43 -1.26 -4.94 118.68 123.13 3k5r s LEU 65 Ca 0.58 -0.69 -0.00 0.00 -1.03 0.00 0.00 54.13 52.98 3k5r s LEU 65 Cb -0.29 -1.50 0.04 0.00 0.03 0.00 0.00 46.19 44.47 3k5r s LEU 65 CO 0.36 0.09 -0.07 -0.62 0.23 0.00 0.00 176.35 176.34 3k5r s ASP 66 N -2.96 2.78 0.40 2.29 2.15 -1.26 -0.37 116.67 119.70 3k5r s ASP 66 Ca 0.25 -0.61 0.08 0.00 0.43 0.00 0.00 52.55 52.70 3k5r s ASP 66 Cb -0.08 -0.98 0.84 0.00 -0.30 0.00 0.00 42.92 42.40 3k5r s ASP 66 CO 0.14 -0.15 2.01 -0.09 -0.17 0.00 0.00 175.17 176.91 3k5r h ARG 67 N 8.10 0.45 0.00 4.34 2.43 -1.90 -2.05 114.38 125.75 3k5r h ARG 67 Ca -0.27 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.84 3k5r h ARG 67 Cb 1.12 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3k5r h ARG 67 CO 0.43 0.37 -0.06 0.93 -1.51 0.00 0.00 179.97 180.12 3k5r h GLU 68 N 0.45 0.00 0.00 0.20 4.39 -1.97 -2.94 114.58 114.71 3k5r h GLU 68 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3k5r h GLU 68 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3k5r h GLU 68 CO -0.01 0.06 -0.02 1.15 -1.16 0.00 0.00 179.01 179.02 3k5r h THR 69 N 0.00 0.00 -3.58 1.13 2.02 -1.81 -3.46 112.91 107.21 3k5r h THR 69 Ca -0.00 -0.91 -0.34 0.00 0.77 0.00 0.00 66.41 65.93 3k5r h THR 69 Cb 0.13 0.00 -0.33 0.00 -1.74 0.00 0.00 68.15 66.22 3k5r h THR 69 CO 0.01 0.00 -0.75 -0.63 0.37 0.00 0.00 175.52 174.52 3k5r s ILE 70 N -1.54 0.22 -0.14 3.11 1.01 -1.12 -5.06 121.20 117.69 3k5r s ILE 70 Ca -0.01 0.01 0.19 0.00 0.00 0.00 0.00 60.65 60.85 3k5r s ILE 70 Cb 0.00 -0.28 -0.27 0.00 0.01 0.00 0.00 42.46 41.92 3k5r s ILE 70 CO 0.01 0.13 0.24 0.00 0.00 0.00 0.00 174.94 175.32 3k5r n ALA 71 N 3.85 1.92 -3.04 9.38 0.00 -1.11 -4.12 120.51 127.39 3k5r n ALA 71 Ca -0.24 -1.05 -0.12 0.00 0.00 0.00 0.00 53.44 52.04 3k5r n ALA 71 Cb 0.52 -0.40 -0.11 0.00 0.00 0.00 0.00 19.45 19.46 3k5r n ALA 71 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3k5r s THR 72 N -2.83 0.04 -0.13 0.00 -4.23 -1.26 -0.06 115.64 107.18 3k5r s THR 72 Ca -0.09 -0.36 0.02 0.00 -1.18 0.00 0.00 61.69 60.08 3k5r s THR 72 Cb 0.09 -0.29 0.01 0.00 1.34 0.00 0.00 72.50 73.65 3k5r s THR 72 CO 0.85 -0.20 -0.18 -0.31 -0.54 0.00 0.00 174.62 174.25 3k5r s TYR 73 N -0.64 2.32 -0.50 3.99 1.51 -0.21 -4.99 117.35 118.83 3k5r s TYR 73 Ca -0.07 -1.17 -0.23 0.00 -1.01 0.00 0.00 57.07 54.59 3k5r s TYR 73 Cb -0.04 -1.63 0.04 0.00 -0.11 0.00 0.00 41.96 40.22 3k5r s TYR 73 CO 0.01 -0.57 0.83 -1.14 -1.11 0.00 0.00 175.55 173.57 3k5r s GLN 74 N 0.99 3.34 0.42 -0.62 2.00 -1.26 -0.71 119.66 123.82 3k5r s GLN 74 Ca -0.05 -0.28 0.08 0.00 -2.00 0.00 0.00 55.36 53.11 3k5r s GLN 74 Cb -0.15 -4.01 0.00 0.00 0.80 0.00 0.00 33.01 29.65 3k5r s GLN 74 CO -0.03 -1.29 0.51 -0.51 -0.50 0.00 0.00 175.29 173.46 3k5r s LEU 75 N 3.49 3.54 -0.01 3.68 1.43 0.66 -3.81 118.68 127.67 3k5r s LEU 75 Ca 0.28 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 3k5r s LEU 75 Cb -0.13 -2.41 0.01 0.00 0.03 0.00 0.00 46.19 43.69 3k5r s LEU 75 CO 0.20 -0.74 0.01 -0.31 0.23 0.00 0.00 176.35 175.73 3k5r s TYR 76 N -2.41 0.02 0.01 0.29 1.51 -0.35 -0.73 117.35 115.70 3k5r s TYR 76 Ca 0.53 0.04 0.07 0.00 -1.01 0.00 0.00 57.07 56.70 3k5r s TYR 76 Cb -0.07 -0.08 -0.02 0.00 -0.11 0.00 0.00 41.96 41.67 3k5r s TYR 76 CO 0.31 -0.03 -0.23 0.54 -1.11 0.00 0.00 175.55 175.04 3k5r s VAL 77 N 0.34 1.80 0.22 0.71 0.11 -0.72 -0.88 120.40 121.99 3k5r s VAL 77 Ca -0.03 -1.11 -0.00 0.00 -2.93 0.00 0.00 61.98 57.91 3k5r s VAL 77 Cb -0.04 -1.53 -0.04 0.00 -1.53 0.00 0.00 36.38 33.24 3k5r s VAL 77 CO -0.01 0.39 0.12 -1.83 -3.33 0.00 0.00 175.10 170.44 3k5r s GLU 78 N -0.85 1.27 0.10 1.54 -1.05 -0.41 -0.69 118.70 118.61 3k5r s GLU 78 Ca 0.09 -1.67 0.03 0.00 -0.15 0.00 0.00 54.97 53.27 3k5r s GLU 78 Cb -0.09 0.11 -0.04 0.00 -0.44 0.00 0.00 34.13 33.67 3k5r s GLU 78 CO 0.00 -0.36 0.11 0.95 0.95 0.00 0.00 175.26 176.91 3k5r s THR 79 N -4.03 4.62 0.10 1.83 -4.23 -0.94 -0.59 115.64 112.40 3k5r s THR 79 Ca 0.39 -0.82 0.04 0.00 -1.18 0.00 0.00 61.69 60.11 3k5r s THR 79 Cb 0.07 -3.27 -0.04 0.00 1.34 0.00 0.00 72.50 70.60 3k5r s THR 79 CO 0.13 0.05 -0.10 0.42 -0.54 0.00 0.00 174.62 174.58 3k5r s THR 80 N -1.51 0.93 1.17 3.99 -4.23 -0.17 -0.46 115.64 115.36 3k5r s THR 80 Ca 0.30 -1.72 -0.20 0.00 -1.18 0.00 0.00 61.69 58.89 3k5r s THR 80 Cb -0.12 -1.45 0.28 0.00 1.34 0.00 0.00 72.50 72.56 3k5r s THR 80 CO 0.23 -0.62 1.18 1.51 -0.54 0.00 0.00 174.62 176.38 3k5r s ASP 81 N -2.60 1.20 0.56 3.99 1.47 -0.00 -1.63 116.67 119.65 3k5r s ASP 81 Ca 0.07 0.41 0.27 0.00 1.18 0.00 0.00 52.55 54.48 3k5r s ASP 81 Cb -0.01 -0.49 1.64 0.00 -0.34 0.00 0.00 42.92 43.72 3k5r s ASP 81 CO -0.01 -3.93 2.19 0.00 0.68 0.00 0.00 175.17 174.11 3k5r h ALA 82 N -2.46 1.54 0.00 2.11 0.00 -1.91 -0.98 119.26 117.57 3k5r h ALA 82 Ca -0.43 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 3k5r h ALA 82 Cb 1.26 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3k5r h ALA 82 CO 0.30 0.04 -0.14 0.77 0.00 0.00 0.00 179.25 180.22 3k5r h SER 83 N 0.00 0.00 0.00 0.00 0.02 -1.91 -3.47 113.55 108.19 3k5r h SER 83 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3k5r h SER 83 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3k5r h SER 83 CO 0.00 0.14 0.00 0.61 -1.14 0.00 0.00 176.83 176.44 3k5r n GLY 84 N -0.06 0.98 3.72 -3.77 0.00 -0.37 -5.10 105.19 100.59 3k5r n GLY 84 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3k5r n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k5r s LYS 85 N -0.86 4.53 0.27 1.61 2.20 -1.26 -4.80 119.74 121.44 3k5r s LYS 85 Ca 0.00 1.20 -0.30 0.00 -0.36 0.00 0.00 55.97 56.51 3k5r s LYS 85 Cb 0.00 -3.42 -0.13 0.00 -1.51 0.00 0.00 37.83 32.76 3k5r s LYS 85 CO 0.00 0.09 1.33 2.41 -0.36 0.00 0.00 175.35 178.82 3k5r n THR 86 N 3.49 1.31 -0.01 3.43 -1.04 -1.26 -0.82 114.28 119.38 3k5r n THR 86 Ca 0.02 -0.33 -0.03 0.00 -2.04 0.00 0.00 64.05 61.67 3k5r n THR 86 Cb 0.51 -1.43 -0.01 0.00 -1.82 0.00 0.00 70.33 67.57 3k5r n THR 86 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3k5r n LEU 87 N 1.70 1.26 -4.21 -4.42 4.77 0.39 -4.77 117.00 111.72 3k5r n LEU 87 Ca 0.10 0.19 -0.39 0.00 -0.03 0.00 0.00 56.01 55.87 3k5r n LEU 87 Cb 0.32 -0.47 -0.10 0.00 -2.33 0.00 0.00 43.42 40.85 3k5r n LEU 87 CO 0.62 -0.54 -0.09 -0.70 -1.33 0.00 0.00 177.39 175.35 3k5r s GLU 88 N -2.19 2.42 1.00 3.23 2.12 -1.21 -4.99 118.70 119.09 3k5r s GLU 88 Ca -0.11 -1.66 -0.25 0.00 0.36 0.00 0.00 54.97 53.32 3k5r s GLU 88 Cb 0.01 -3.78 -0.17 0.00 0.26 0.00 0.00 34.13 30.45 3k5r s GLU 88 CO 0.16 -1.07 -1.29 0.41 -0.54 0.00 0.00 175.26 172.92 3k5r n GLY 89 N 4.84 -3.39 3.75 -1.50 0.00 -1.26 -2.22 105.19 105.41 3k5r n GLY 89 Ca -0.08 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 3k5r n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k5r s PRO 90 N -2.08 4.53 -0.17 1.61 0.05 -1.26 -4.71 135.00 132.97 3k5r s PRO 90 Ca 0.38 1.13 -0.06 0.00 0.05 0.00 0.00 61.00 62.50 3k5r s PRO 90 Cb 0.02 -3.35 -0.04 0.00 0.05 0.00 0.00 34.50 31.18 3k5r s PRO 90 CO 0.70 0.30 0.04 0.08 0.05 0.00 0.00 177.00 178.18 3k5r s VAL 91 N -0.17 4.58 0.44 -0.36 1.01 0.13 -4.89 120.40 121.15 3k5r s VAL 91 Ca 0.39 -0.11 -0.25 0.00 0.00 0.00 0.00 61.98 62.01 3k5r s VAL 91 Cb -0.21 -3.05 -0.08 0.00 0.00 0.00 0.00 36.38 33.04 3k5r s VAL 91 CO 0.24 0.47 1.35 -2.16 0.00 0.00 0.00 175.10 175.00 3k5r s PRO 92 N 0.33 3.77 -0.15 2.72 0.04 -1.26 -1.75 135.00 138.70 3k5r s PRO 92 Ca 0.02 2.25 -0.04 0.00 0.04 0.00 0.00 61.00 63.26 3k5r s PRO 92 Cb -0.13 -2.65 0.06 0.00 0.04 0.00 0.00 34.50 31.82 3k5r s PRO 92 CO 0.01 -0.69 0.11 -1.17 0.04 0.00 0.00 177.00 175.30 3k5r s LEU 93 N -2.68 0.22 -0.06 -3.56 0.20 0.09 -4.90 118.68 107.99 3k5r s LEU 93 Ca 0.60 -0.40 -0.12 0.00 0.69 0.00 0.00 54.13 54.90 3k5r s LEU 93 Cb -0.40 -0.10 -0.05 0.00 -0.43 0.00 0.00 46.19 45.21 3k5r s LEU 93 CO 0.51 -0.33 0.31 -0.70 -0.29 0.00 0.00 176.35 175.85 3k5r s GLU 94 N 2.18 3.80 -0.16 1.98 2.12 -1.26 -0.24 118.70 127.11 3k5r s GLU 94 Ca 0.03 0.20 -0.06 0.00 0.36 0.00 0.00 54.97 55.50 3k5r s GLU 94 Cb -0.15 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 3k5r s GLU 94 CO -0.08 0.67 0.04 0.14 -0.54 0.00 0.00 175.26 175.48 3k5r s VAL 95 N -0.87 4.63 -0.16 3.70 -7.23 0.11 -0.70 120.40 119.88 3k5r s VAL 95 Ca 0.20 -0.10 -0.00 0.00 -1.81 0.00 0.00 61.98 60.27 3k5r s VAL 95 Cb -0.15 -3.06 -0.00 0.00 0.56 0.00 0.00 36.38 33.73 3k5r s VAL 95 CO 0.09 0.49 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.60 3k5r s ILE 96 N 0.15 2.67 -0.23 -0.62 1.01 0.64 -1.04 121.20 123.77 3k5r s ILE 96 Ca 0.04 -0.76 -0.19 0.00 0.00 0.00 0.00 60.65 59.73 3k5r s ILE 96 Cb -0.12 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 3k5r s ILE 96 CO 0.01 0.51 0.58 -0.69 0.00 0.00 0.00 174.94 175.35 3k5r s VAL 97 N 0.93 5.04 -0.08 2.92 1.01 0.92 -0.76 120.40 130.37 3k5r s VAL 97 Ca -0.03 1.05 -0.20 0.00 0.00 0.00 0.00 61.98 62.80 3k5r s VAL 97 Cb -0.15 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3k5r s VAL 97 CO -0.02 0.10 0.56 -0.63 0.00 0.00 0.00 175.10 175.11 3k5r s ILE 98 N 2.10 5.10 0.32 2.22 -1.09 0.36 -4.87 121.20 125.35 3k5r s ILE 98 Ca 0.25 1.15 -0.28 0.00 -2.23 0.00 0.00 60.65 59.53 3k5r s ILE 98 Cb -0.16 -3.90 -0.13 0.00 -1.58 0.00 0.00 42.46 36.70 3k5r s ILE 98 CO 0.09 0.32 1.24 -0.67 -1.23 0.00 0.00 174.94 174.70 3k5r n ASP 99 N 3.53 2.47 0.23 3.58 -0.08 -1.26 -0.54 116.55 124.48 3k5r n ASP 99 Ca -0.05 1.20 0.14 0.00 -1.51 0.00 0.00 54.79 54.57 3k5r n ASP 99 Cb 0.51 -1.44 0.79 0.00 2.34 0.00 0.00 41.12 43.32 3k5r n ASP 99 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 3k5r h GLN 100 N 2.58 0.00 -0.02 -0.67 3.07 -1.96 -0.58 115.11 117.52 3k5r h GLN 100 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 3k5r h GLN 100 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.85 3k5r h GLN 100 CO 0.63 0.00 -0.03 0.09 0.09 0.00 0.00 178.83 179.61 3k5r n ASN 101 N -4.09 2.38 -4.48 0.06 3.02 -1.26 -4.73 115.26 106.16 3k5r n ASN 101 Ca -0.00 -1.77 -0.43 0.00 -0.03 0.00 0.00 54.58 52.35 3k5r n ASN 101 Cb 0.21 0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.37 3k5r n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3k5r s ASP 102 N -2.04 6.20 -0.21 6.41 2.15 -0.23 -4.89 116.67 124.06 3k5r s ASP 102 Ca 0.31 -0.79 0.15 0.00 0.43 0.00 0.00 52.55 52.65 3k5r s ASP 102 Cb 0.20 -2.45 0.79 0.00 -0.30 0.00 0.00 42.92 41.16 3k5r s ASP 102 CO 0.33 -1.48 1.71 0.59 -0.17 0.00 0.00 175.17 176.15 3k5r n ASN 103 N 7.97 5.46 -4.76 -0.34 3.02 -1.26 -4.78 115.26 120.57 3k5r n ASN 103 Ca -0.02 -2.84 -0.38 0.00 -0.03 0.00 0.00 54.58 51.32 3k5r n ASN 103 Cb 0.46 -0.66 0.02 0.00 -0.61 0.00 0.00 39.78 38.99 3k5r n ASN 103 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3k5r s ARG 104 N -2.58 3.46 0.17 3.52 0.52 -1.26 -4.93 118.95 117.86 3k5r s ARG 104 Ca 0.53 2.06 -0.33 0.00 -0.52 0.00 0.00 55.73 57.47 3k5r s ARG 104 Cb 0.40 -2.37 -0.14 0.00 0.52 0.00 0.00 34.95 33.35 3k5r s ARG 104 CO 0.17 -0.88 1.44 -2.30 0.02 0.00 0.00 175.30 173.75 3k5r n PRO 105 N -0.69 1.82 -5.23 3.54 -0.02 -1.26 -4.92 135.00 128.23 3k5r n PRO 105 Ca 0.08 0.65 -0.31 0.00 -2.02 0.00 0.00 63.50 61.90 3k5r n PRO 105 Cb 0.46 -2.33 -0.17 0.00 -0.02 0.00 0.00 33.50 31.44 3k5r n PRO 105 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3k5r s ILE 106 N 0.42 2.02 -0.37 4.25 1.01 -1.26 -3.94 121.20 123.32 3k5r s ILE 106 Ca 0.76 -1.04 -0.22 0.00 0.00 0.00 0.00 60.65 60.15 3k5r s ILE 106 Cb -0.74 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.02 3k5r s ILE 106 CO 0.45 0.56 0.74 -0.36 0.00 0.00 0.00 174.94 176.33 3k5r s PHE 107 N -0.04 3.11 -0.44 3.97 0.08 -1.26 0.43 117.98 123.83 3k5r s PHE 107 Ca -0.07 0.44 0.22 0.00 0.12 0.00 0.00 56.93 57.65 3k5r s PHE 107 Cb -0.15 -3.36 -0.12 0.00 -0.57 0.00 0.00 43.02 38.82 3k5r s PHE 107 CO 0.05 -0.74 0.83 -2.13 -0.10 0.00 0.00 175.22 173.14 3k5r n ARG 108 N 6.35 0.40 -0.94 0.44 3.00 -1.26 -4.99 116.66 119.66 3k5r n ARG 108 Ca 0.02 -0.05 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 3k5r n ARG 108 Cb 0.48 -1.58 0.00 0.00 0.00 0.00 0.00 32.46 31.36 3k5r n ARG 108 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3k5r n GLU 109 N -2.07 1.43 0.00 -0.14 -0.58 -1.26 -4.77 120.64 113.25 3k5r n GLU 109 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3k5r n GLU 109 Cb 0.48 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.35 3k5r n GLU 109 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3k5r n GLY 110 N 5.00 0.30 2.80 0.62 0.00 -1.26 -4.52 105.19 108.13 3k5r n GLY 110 Ca 0.00 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 3k5r n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k5r n PRO 111 N -0.01 0.00 -3.28 1.61 -0.04 -1.26 -4.24 135.00 127.78 3k5r n PRO 111 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 3k5r n PRO 111 Cb 0.00 -0.85 -0.08 0.00 -0.04 0.00 0.00 33.50 32.52 3k5r n PRO 111 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3k5r s TYR 112 N -0.76 3.16 -0.08 0.54 2.02 -1.26 -5.04 117.35 115.93 3k5r s TYR 112 Ca 0.54 -0.14 0.00 0.00 -0.37 0.00 0.00 57.07 57.11 3k5r s TYR 112 Cb -0.79 -2.94 0.02 0.00 -0.40 0.00 0.00 41.96 37.85 3k5r s TYR 112 CO 0.46 -0.65 -0.07 0.42 -1.57 0.00 0.00 175.55 174.14 3k5r s ILE 113 N 2.30 0.84 0.29 2.71 1.01 -1.26 -1.73 121.20 125.35 3k5r s ILE 113 Ca 0.15 -0.23 0.10 0.00 0.00 0.00 0.00 60.65 60.67 3k5r s ILE 113 Cb -0.16 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.41 3k5r s ILE 113 CO 0.14 0.31 -0.15 -0.83 0.00 0.00 0.00 174.94 174.41 3k5r s GLY 114 N 1.29 1.92 0.01 6.18 0.00 0.42 -4.99 107.32 112.16 3k5r s GLY 114 Ca -0.04 -1.92 0.02 0.00 0.00 0.00 0.00 44.72 42.79 3k5r s GLY 114 CO -0.03 -1.95 -0.08 0.30 0.00 0.00 0.00 173.10 171.34 3k5r s HIS 115 N -2.64 0.68 -0.02 1.90 3.76 -1.26 -1.20 115.29 116.52 3k5r s HIS 115 Ca 0.30 -0.22 0.01 0.00 -0.15 0.00 0.00 55.06 55.00 3k5r s HIS 115 Cb -0.02 -0.43 0.01 0.00 1.11 0.00 0.00 32.58 33.26 3k5r s HIS 115 CO 0.14 -0.02 -0.04 0.54 -0.85 0.00 0.00 174.74 174.51 3k5r s VAL 116 N -0.48 0.37 0.23 -0.90 0.11 -0.04 -4.83 120.40 114.85 3k5r s VAL 116 Ca -0.00 -0.13 -0.30 0.00 -2.93 0.00 0.00 61.98 58.62 3k5r s VAL 116 Cb -0.05 -0.36 -0.09 0.00 -1.53 0.00 0.00 36.38 34.36 3k5r s VAL 116 CO 0.00 0.14 1.09 -0.32 -3.33 0.00 0.00 175.10 172.68 3k5r s MET 117 N 0.31 4.63 0.56 1.54 1.75 -1.26 -0.09 119.30 126.74 3k5r s MET 117 Ca -0.03 1.74 -0.20 0.00 -1.25 0.00 0.00 55.69 55.95 3k5r s MET 117 Cb -0.07 -3.24 -0.06 0.00 2.84 0.00 0.00 34.83 34.30 3k5r s MET 117 CO -0.00 0.16 0.97 -0.85 -0.65 0.00 0.00 175.02 174.65 3k5r n GLU 118 N 1.82 1.03 -0.98 4.11 0.28 -0.61 -2.19 120.64 124.10 3k5r n GLU 118 Ca 0.01 0.39 0.00 0.00 -0.16 0.00 0.00 57.16 57.40 3k5r n GLU 118 Cb 0.46 -2.14 0.00 0.00 1.43 0.00 0.00 31.44 31.18 3k5r n GLU 118 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3k5r n GLY 119 N 1.26 0.51 3.77 -1.84 0.00 0.13 -4.99 105.19 104.03 3k5r n GLY 119 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3k5r n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k5r s SER 120 N -2.19 6.32 0.72 1.61 0.01 -0.93 -4.79 113.70 114.44 3k5r s SER 120 Ca 0.00 2.92 -0.15 0.00 1.31 0.00 0.00 55.95 60.02 3k5r s SER 120 Cb 0.00 -2.66 0.03 0.00 0.21 0.00 0.00 66.02 63.61 3k5r s SER 120 CO 0.00 -0.87 1.22 -2.16 0.41 0.00 0.00 173.24 171.84 3k5r s PRO 121 N -2.13 2.16 0.27 12.44 0.04 -1.26 -4.06 135.00 142.46 3k5r s PRO 121 Ca 0.54 1.82 -0.30 0.00 0.04 0.00 0.00 61.00 63.11 3k5r s PRO 121 Cb -0.44 -1.83 -0.14 0.00 0.04 0.00 0.00 34.50 32.14 3k5r s PRO 121 CO 0.58 -1.84 1.23 2.41 0.04 0.00 0.00 177.00 179.43 3k5r n THR 122 N -2.62 1.54 -0.75 1.26 -1.04 -1.25 -1.76 114.28 109.65 3k5r n THR 122 Ca 0.14 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 3k5r n THR 122 Cb 0.50 -1.29 0.00 0.00 -1.82 0.00 0.00 70.33 67.72 3k5r n THR 122 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3k5r n GLY 123 N 1.48 0.59 3.68 3.41 0.00 0.47 -5.01 105.19 109.82 3k5r n GLY 123 Ca 0.09 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3k5r n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k5r s THR 124 N -2.00 3.37 0.07 2.61 2.01 -0.72 -4.73 115.64 116.24 3k5r s THR 124 Ca 0.00 0.75 -0.31 0.00 0.31 0.00 0.00 61.69 62.44 3k5r s THR 124 Cb 0.00 -3.48 -0.06 0.00 0.01 0.00 0.00 72.50 68.96 3k5r s THR 124 CO 0.00 -0.01 1.31 -0.89 -0.69 0.00 0.00 174.62 174.34 3k5r s THR 125 N 2.73 3.69 -0.25 -0.82 2.01 -1.26 -1.12 115.64 120.61 3k5r s THR 125 Ca 0.70 1.19 -0.16 0.00 0.31 0.00 0.00 61.69 63.73 3k5r s THR 125 Cb -0.36 -3.76 -0.15 0.00 0.01 0.00 0.00 72.50 68.24 3k5r s THR 125 CO 0.30 0.07 -0.15 0.52 -0.69 0.00 0.00 174.62 174.66 3k5r n VAL 126 N 4.10 1.54 -3.60 3.82 0.31 0.14 -4.97 118.33 119.66 3k5r n VAL 126 Ca 0.11 -0.29 -0.05 0.00 -0.01 0.00 0.00 64.34 64.10 3k5r n VAL 126 Cb 0.44 -1.91 -0.02 0.00 -0.91 0.00 0.00 33.84 31.45 3k5r n VAL 126 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k5r s MET 127 N -2.46 0.70 -0.06 5.55 0.23 -1.21 -4.58 119.30 117.48 3k5r s MET 127 Ca -0.35 -0.32 0.05 0.00 -1.03 0.00 0.00 55.69 54.04 3k5r s MET 127 Cb 0.12 0.28 -0.02 0.00 -1.53 0.00 0.00 34.83 33.68 3k5r s MET 127 CO 0.53 -0.31 -0.20 0.50 -2.03 0.00 0.00 175.02 173.52 3k5r s ARG 128 N -2.86 2.57 -0.08 3.16 3.52 -1.26 -0.32 118.95 123.67 3k5r s ARG 128 Ca 0.09 -0.80 0.02 0.00 -0.13 0.00 0.00 55.73 54.91 3k5r s ARG 128 Cb -0.00 -2.28 0.01 0.00 -1.56 0.00 0.00 34.95 31.12 3k5r s ARG 128 CO -0.05 0.48 -0.13 -1.64 -0.81 0.00 0.00 175.30 173.15 3k5r s MET 129 N -0.38 1.90 0.07 5.12 -1.94 -0.00 -4.96 119.30 119.10 3k5r s MET 129 Ca 0.03 -0.46 0.01 0.00 -1.71 0.00 0.00 55.69 53.56 3k5r s MET 129 Cb -0.12 -1.60 -0.04 0.00 2.01 0.00 0.00 34.83 35.08 3k5r s MET 129 CO 0.02 -0.01 -0.06 0.95 -0.01 0.00 0.00 175.02 175.90 3k5r s THR 130 N 0.82 0.54 0.21 2.05 -4.23 -1.26 -4.38 115.64 109.39 3k5r s THR 130 Ca -0.11 -1.61 0.04 0.00 -1.18 0.00 0.00 61.69 58.83 3k5r s THR 130 Cb -0.15 -1.26 -0.03 0.00 1.34 0.00 0.00 72.50 72.39 3k5r s THR 130 CO 0.02 -0.73 0.35 0.00 -0.54 0.00 0.00 174.62 173.71 3k5r s ALA 131 N -2.90 3.92 0.01 3.99 0.00 -1.26 -4.43 121.76 121.09 3k5r s ALA 131 Ca 0.03 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.87 3k5r s ALA 131 Cb 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.34 3k5r s ALA 131 CO -0.04 0.33 0.00 1.19 0.00 0.00 0.00 175.76 177.24 3k5r n PHE 132 N -1.11 -1.84 0.00 0.00 0.99 0.17 -4.51 117.46 111.15 3k5r n PHE 132 Ca -0.08 0.06 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 3k5r n PHE 132 Cb 0.56 0.12 0.00 0.00 -1.00 0.00 0.00 39.48 39.16 3k5r n PHE 132 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3k5r n ASP 133 N -2.19 0.00 -0.14 4.37 -0.08 -1.26 -4.67 116.55 112.59 3k5r n ASP 133 Ca 0.00 0.93 0.00 0.00 -1.51 0.00 0.00 54.79 54.21 3k5r n ASP 133 Cb 0.02 -0.50 0.00 0.00 2.34 0.00 0.00 41.12 42.98 3k5r n ASP 133 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3k5r n ALA 134 N -2.00 -1.58 -3.77 -1.67 0.00 -1.26 -4.91 120.51 105.32 3k5r n ALA 134 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3k5r n ALA 134 Cb 0.00 -0.26 0.02 0.00 0.00 0.00 0.00 19.45 19.20 3k5r n ALA 134 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3k5r n ASP 135 N -0.13 -1.52 -4.64 0.00 9.92 -1.26 -5.05 116.55 113.87 3k5r n ASP 135 Ca 0.00 -0.90 -0.28 0.00 -0.53 0.00 0.00 54.79 53.08 3k5r n ASP 135 Cb 0.00 -3.69 -0.10 0.00 -0.64 0.00 0.00 41.12 36.69 3k5r n ASP 135 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 3k5r s ASP 136 N -4.24 3.94 -0.33 -2.24 -4.77 -1.26 -5.06 116.67 102.72 3k5r s ASP 136 Ca 0.07 -1.37 -0.30 0.00 -3.30 0.00 0.00 52.55 47.64 3k5r s ASP 136 Cb -0.02 -0.32 -0.13 0.00 -1.09 0.00 0.00 42.92 41.35 3k5r s ASP 136 CO 0.84 -0.49 1.15 -2.65 0.70 0.00 0.00 175.17 174.72 3k5r n PRO 137 N -1.02 0.00 -2.33 2.11 -0.02 -1.26 -4.16 135.00 128.33 3k5r n PRO 137 Ca -0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.00 3k5r n PRO 137 Cb 0.67 -0.98 -0.03 0.00 -0.02 0.00 0.00 33.50 33.14 3k5r n PRO 137 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k5r s ALA 138 N 2.52 3.51 0.53 3.55 0.00 -1.26 -4.91 121.76 125.70 3k5r s ALA 138 Ca 0.72 0.83 0.28 0.00 0.00 0.00 0.00 51.96 53.79 3k5r s ALA 138 Cb -0.98 -3.53 1.66 0.00 0.00 0.00 0.00 23.12 20.27 3k5r s ALA 138 CO 0.51 -0.71 2.19 1.15 0.00 0.00 0.00 175.76 178.90 3k5r h THR 139 N 4.75 0.59 -0.28 0.00 2.02 -1.98 -3.09 112.91 114.93 3k5r h THR 139 Ca -0.38 -0.18 0.08 0.00 0.77 0.00 0.00 66.41 66.70 3k5r h THR 139 Cb 1.19 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 3k5r h THR 139 CO 0.87 0.04 0.29 0.44 0.37 0.00 0.00 175.52 177.53 3k5r h ASP 140 N 0.00 0.00 0.08 4.18 3.45 -1.91 -2.42 116.42 119.79 3k5r h ASP 140 Ca -0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 3k5r h ASP 140 Cb 0.11 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.88 3k5r h ASP 140 CO 0.01 0.00 -0.04 0.78 -1.57 0.00 0.00 179.24 178.41 3k5r h ASN 141 N 0.00 0.00 1.58 6.45 2.35 -1.94 -2.88 115.58 121.14 3k5r h ASN 141 Ca 0.13 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.80 3k5r h ASN 141 Cb 0.71 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 3k5r h ASN 141 CO -0.00 0.04 -0.42 0.00 -1.65 0.00 0.00 177.43 175.40 3k5r h ALA 142 N 1.96 0.73 -6.57 -0.83 0.00 -1.64 -2.95 119.26 109.96 3k5r h ALA 142 Ca -0.00 -0.37 -0.51 0.00 0.00 0.00 0.00 54.91 54.02 3k5r h ALA 142 Cb 0.09 -0.06 0.04 0.00 0.00 0.00 0.00 17.79 17.86 3k5r h ALA 142 CO 0.01 0.51 -0.98 -0.11 0.00 0.00 0.00 179.25 178.68 3k5r n LEU 143 N -3.19 -1.59 -4.76 0.00 7.94 -1.09 -1.62 117.00 112.69 3k5r n LEU 143 Ca 0.02 -1.15 -0.41 0.00 -1.11 0.00 0.00 56.01 53.35 3k5r n LEU 143 Cb 0.70 -2.02 -0.01 0.00 0.53 0.00 0.00 43.42 42.61 3k5r n LEU 143 CO 0.39 0.64 1.19 -0.76 -1.11 0.00 0.00 177.39 177.74 3k5r s LEU 144 N -6.96 4.35 -0.05 -1.96 1.43 -1.26 -1.94 118.68 112.30 3k5r s LEU 144 Ca 0.48 2.92 0.04 0.00 -1.03 0.00 0.00 54.13 56.54 3k5r s LEU 144 Cb -0.21 -3.64 -0.00 0.00 0.03 0.00 0.00 46.19 42.36 3k5r s LEU 144 CO 0.92 -0.86 -0.18 -0.13 0.23 0.00 0.00 176.35 176.33 3k5r s ARG 145 N -0.84 1.86 0.08 1.70 1.81 -0.69 -4.65 118.95 118.22 3k5r s ARG 145 Ca 0.60 -0.63 0.05 0.00 -1.72 0.00 0.00 55.73 54.03 3k5r s ARG 145 Cb -0.46 -1.60 -0.04 0.00 -0.45 0.00 0.00 34.95 32.39 3k5r s ARG 145 CO 0.50 0.25 -0.03 0.71 -0.68 0.00 0.00 175.30 176.05 3k5r s TYR 146 N 0.05 2.92 0.07 -0.53 1.51 0.21 -1.01 117.35 120.56 3k5r s TYR 146 Ca -0.04 -0.05 -0.15 0.00 -1.01 0.00 0.00 57.07 55.81 3k5r s TYR 146 Cb -0.12 -1.53 0.03 0.00 -0.11 0.00 0.00 41.96 40.23 3k5r s TYR 146 CO 0.02 0.46 0.36 0.54 -1.11 0.00 0.00 175.55 175.82 3k5r s ASN 147 N -2.15 -0.18 -0.45 2.29 4.22 -0.40 -4.11 114.94 114.15 3k5r s ASN 147 Ca 0.23 -0.21 -0.23 0.00 -2.14 0.00 0.00 52.86 50.52 3k5r s ASN 147 Cb -0.11 0.41 0.03 0.00 1.28 0.00 0.00 41.25 42.85 3k5r s ASN 147 CO 0.16 -0.71 0.76 -0.63 -2.04 0.00 0.00 177.10 174.63 3k5r s ILE 148 N -3.01 4.68 0.11 0.54 1.01 -1.26 -0.63 121.20 122.63 3k5r s ILE 148 Ca -0.02 0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.93 3k5r s ILE 148 Cb 0.01 -4.31 -0.22 0.00 0.01 0.00 0.00 42.46 37.94 3k5r s ILE 148 CO -0.06 -0.72 1.24 0.03 0.00 0.00 0.00 174.94 175.44 3k5r h ARG 149 N 8.98 0.31 -2.76 2.79 3.08 -1.21 -3.47 114.38 122.09 3k5r h ARG 149 Ca -0.25 -0.41 -0.11 0.00 0.07 0.00 0.00 59.98 59.29 3k5r h ARG 149 Cb 1.09 0.13 -0.21 0.00 0.08 0.00 0.00 29.97 31.06 3k5r h ARG 149 CO 0.95 1.13 -0.17 -1.14 -1.07 0.00 0.00 179.97 179.67 3k5r s GLN 150 N -2.98 0.70 -0.05 0.04 0.74 -1.16 -4.96 119.66 111.99 3k5r s GLN 150 Ca -0.04 0.09 0.02 0.00 0.05 0.00 0.00 55.36 55.47 3k5r s GLN 150 Cb 0.08 0.32 0.01 0.00 1.10 0.00 0.00 33.01 34.53 3k5r s GLN 150 CO 0.87 -0.18 -0.09 -1.14 -0.55 0.00 0.00 175.29 174.20 3k5r s GLN 151 N -0.91 1.21 -0.03 1.67 0.74 -1.26 -1.27 119.66 119.80 3k5r s GLN 151 Ca -0.10 -0.28 0.03 0.00 0.05 0.00 0.00 55.36 55.07 3k5r s GLN 151 Cb -0.04 -1.08 -0.00 0.00 1.10 0.00 0.00 33.01 33.00 3k5r s GLN 151 CO 0.04 0.02 -0.13 0.99 -0.55 0.00 0.00 175.29 175.66 3k5r s THR 152 N 0.62 1.11 1.10 -0.34 2.01 -0.16 -4.10 115.64 115.88 3k5r s THR 152 Ca -0.11 -0.54 -0.18 0.00 0.31 0.00 0.00 61.69 61.17 3k5r s THR 152 Cb -0.14 -0.97 0.26 0.00 0.01 0.00 0.00 72.50 71.67 3k5r s THR 152 CO 0.02 0.33 1.23 -2.16 -0.69 0.00 0.00 174.62 173.35 3k5r s PRO 153 N 0.11 -0.47 -0.52 4.92 0.04 -1.26 0.04 135.00 137.86 3k5r s PRO 153 Ca -0.03 -0.32 0.01 0.00 0.04 0.00 0.00 61.00 60.70 3k5r s PRO 153 Cb -0.10 -1.71 0.53 0.00 0.04 0.00 0.00 34.50 33.26 3k5r s PRO 153 CO 0.01 -3.17 1.95 -0.40 0.04 0.00 0.00 177.00 175.43 3k5r n ASP 154 N -4.32 5.58 -3.88 6.66 3.85 -1.26 -4.93 116.55 118.25 3k5r n ASP 154 Ca 0.15 -3.60 -0.11 0.00 -0.71 0.00 0.00 54.79 50.52 3k5r n ASP 154 Cb 0.59 -0.90 -0.10 0.00 -1.35 0.00 0.00 41.12 39.36 3k5r n ASP 154 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 3k5r s LYS 155 N -3.33 0.43 0.03 0.11 2.20 -1.26 -2.99 119.74 114.93 3k5r s LYS 155 Ca 0.57 -0.35 0.21 0.00 -0.36 0.00 0.00 55.97 56.04 3k5r s LYS 155 Cb 0.46 0.18 0.88 0.00 -1.51 0.00 0.00 37.83 37.84 3k5r s LYS 155 CO 0.05 -0.10 1.67 -0.35 -0.36 0.00 0.00 175.35 176.26 3k5r n PRO 156 N 1.65 0.03 -4.22 4.03 -0.04 -1.26 -4.92 135.00 130.27 3k5r n PRO 156 Ca -0.22 0.17 -0.17 0.00 -0.04 0.00 0.00 63.50 63.25 3k5r n PRO 156 Cb 0.56 -1.54 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 3k5r n PRO 156 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3k5r s SER 157 N -3.16 0.82 0.19 3.54 0.15 -1.26 -5.02 113.70 108.96 3k5r s SER 157 Ca 0.10 -0.18 0.20 0.00 0.70 0.00 0.00 55.95 56.76 3k5r s SER 157 Cb 0.13 -0.07 0.86 0.00 -1.71 0.00 0.00 66.02 65.23 3k5r s SER 157 CO 0.39 0.05 1.61 -0.81 1.20 0.00 0.00 173.24 175.67 3k5r n PRO 158 N 2.71 0.13 -3.32 5.44 -0.04 -1.16 -3.72 135.00 135.04 3k5r n PRO 158 Ca -0.14 0.41 -0.25 0.00 -0.04 0.00 0.00 63.50 63.47 3k5r n PRO 158 Cb 0.57 -1.77 -0.08 0.00 -0.04 0.00 0.00 33.50 32.18 3k5r n PRO 158 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3k5r n ASN 159 N -2.02 0.62 0.22 3.54 6.94 -1.26 -4.72 115.26 118.58 3k5r n ASN 159 Ca 0.02 -2.73 0.05 0.00 -0.02 0.00 0.00 54.58 51.90 3k5r n ASN 159 Cb 0.18 -0.63 0.50 0.00 -2.36 0.00 0.00 39.78 37.47 3k5r n ASN 159 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 3k5r h MET 160 N 4.55 0.00 -5.41 -3.83 2.86 -1.97 -3.44 114.93 107.70 3k5r h MET 160 Ca 0.15 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.29 3k5r h MET 160 Cb 0.85 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.37 3k5r h MET 160 CO 0.50 0.20 -0.65 -0.06 1.06 0.00 0.00 176.91 177.96 3k5r s PHE 161 N -4.57 1.98 -0.12 -0.22 0.40 -1.26 -0.87 117.98 113.33 3k5r s PHE 161 Ca -0.04 -0.79 -0.08 0.00 -0.60 0.00 0.00 56.93 55.42 3k5r s PHE 161 Cb 0.15 -1.21 0.04 0.00 0.51 0.00 0.00 43.02 42.52 3k5r s PHE 161 CO 0.69 0.19 0.29 -0.47 0.70 0.00 0.00 175.22 176.63 3k5r s TYR 162 N -3.10 -0.37 -0.17 0.36 5.04 0.26 -4.77 117.35 114.60 3k5r s TYR 162 Ca 0.32 0.87 -0.07 0.00 -2.44 0.00 0.00 57.07 55.75 3k5r s TYR 162 Cb 0.06 0.11 -0.04 0.00 0.35 0.00 0.00 41.96 42.44 3k5r s TYR 162 CO 0.13 -0.22 0.07 -1.50 -1.34 0.00 0.00 175.55 172.70 3k5r s ILE 163 N 0.81 4.92 0.04 3.14 2.07 -1.26 -0.28 121.20 130.63 3k5r s ILE 163 Ca -0.05 0.01 -0.30 0.00 -1.41 0.00 0.00 60.65 58.89 3k5r s ILE 163 Cb -0.06 -3.20 -0.07 0.00 0.13 0.00 0.00 42.46 39.25 3k5r s ILE 163 CO -0.05 0.49 1.60 -0.62 -1.91 0.00 0.00 174.94 174.45 3k5r s ASP 164 N 0.09 6.66 0.38 4.50 -1.08 0.47 -4.80 116.67 122.89 3k5r s ASP 164 Ca 0.06 2.38 0.06 0.00 -0.52 0.00 0.00 52.55 54.53 3k5r s ASP 164 Cb -0.12 -2.56 0.78 0.00 -1.46 0.00 0.00 42.92 39.56 3k5r s ASP 164 CO 0.00 -0.86 1.99 -0.65 0.52 0.00 0.00 175.17 176.17 3k5r h PRO 165 N 8.38 0.68 0.03 4.34 0.11 -1.91 -1.79 132.00 141.83 3k5r h PRO 165 Ca -0.41 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.51 3k5r h PRO 165 Cb 1.19 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3k5r h PRO 165 CO 0.93 0.45 -0.80 1.49 -0.21 0.00 0.00 178.00 179.86 3k5r h GLU 166 N 0.70 0.06 0.00 1.05 4.81 -1.87 0.61 114.58 119.93 3k5r h GLU 166 Ca 0.27 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 3k5r h GLU 166 Cb 0.17 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3k5r h GLU 166 CO -0.08 1.05 -1.10 0.87 -0.73 0.00 0.00 179.01 179.01 3k5r h LYS 167 N -0.85 0.00 0.00 1.92 1.57 -1.90 -3.47 116.57 113.85 3k5r h LYS 167 Ca -0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 3k5r h LYS 167 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3k5r h LYS 167 CO -0.07 0.13 0.00 0.41 -0.57 0.00 0.00 179.45 179.35 3k5r n GLY 168 N 1.26 0.79 3.70 3.86 0.00 -0.68 -4.74 105.19 109.39 3k5r n GLY 168 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3k5r n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k5r s ASP 169 N -2.70 7.11 -0.21 1.61 1.01 -1.26 -0.82 116.67 121.40 3k5r s ASP 169 Ca 0.00 1.89 -0.12 0.00 0.71 0.00 0.00 52.55 55.03 3k5r s ASP 169 Cb 0.00 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 3k5r s ASP 169 CO 0.00 -0.49 0.22 -0.63 0.21 0.00 0.00 175.17 174.48 3k5r s ILE 170 N 1.51 5.33 0.21 0.77 1.01 0.56 -0.39 121.20 130.19 3k5r s ILE 170 Ca 0.57 0.34 0.06 0.00 0.00 0.00 0.00 60.65 61.61 3k5r s ILE 170 Cb -0.26 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 3k5r s ILE 170 CO 0.26 0.35 -0.10 0.68 0.00 0.00 0.00 174.94 176.13 3k5r s VAL 171 N 0.88 1.48 0.34 2.92 -7.23 0.61 0.25 120.40 119.65 3k5r s VAL 171 Ca 0.11 -2.14 -0.26 0.00 -1.81 0.00 0.00 61.98 57.89 3k5r s VAL 171 Cb -0.13 -2.11 -0.10 0.00 0.56 0.00 0.00 36.38 34.61 3k5r s VAL 171 CO 0.04 -0.55 0.98 0.42 -0.31 0.00 0.00 175.10 175.68 3k5r s THR 172 N -3.13 4.05 -0.04 5.32 -4.23 -0.28 -0.57 115.64 116.77 3k5r s THR 172 Ca 0.23 1.68 0.05 0.00 -1.18 0.00 0.00 61.69 62.48 3k5r s THR 172 Cb 0.02 -3.92 0.08 0.00 1.34 0.00 0.00 72.50 70.01 3k5r s THR 172 CO 0.06 0.12 0.94 1.33 -0.54 0.00 0.00 174.62 176.53 3k5r n VAL 173 N 0.43 0.89 -4.09 2.29 0.24 -0.05 -0.40 118.33 117.65 3k5r n VAL 173 Ca 0.03 -1.00 -0.25 0.00 -2.04 0.00 0.00 64.34 61.08 3k5r n VAL 173 Cb 0.50 0.40 -0.05 0.00 -1.47 0.00 0.00 33.84 33.22 3k5r n VAL 173 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3k5r s VAL 174 N -1.16 4.49 0.37 3.34 -7.23 -1.25 -4.95 120.40 114.02 3k5r s VAL 174 Ca 0.09 -1.19 -0.25 0.00 -1.81 0.00 0.00 61.98 58.82 3k5r s VAL 174 Cb 0.08 -3.34 -0.13 0.00 0.56 0.00 0.00 36.38 33.55 3k5r s VAL 174 CO 0.01 -0.20 0.80 -0.24 -0.31 0.00 0.00 175.10 175.16 3k5r n SER 175 N -0.67 0.30 0.11 4.85 2.88 -1.26 -3.94 113.62 115.90 3k5r n SER 175 Ca -0.08 1.03 0.17 0.00 -1.33 0.00 0.00 58.87 58.65 3k5r n SER 175 Cb 0.56 -1.22 0.71 0.00 -0.75 0.00 0.00 64.21 63.51 3k5r n SER 175 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3k5r h PRO 176 N 1.33 0.00 0.00 -1.46 0.11 -1.87 -1.93 132.00 128.17 3k5r h PRO 176 Ca -0.41 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.68 3k5r h PRO 176 Cb 1.37 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.47 3k5r h PRO 176 CO 0.56 0.00 -0.13 0.00 -0.21 0.00 0.00 178.00 178.21 3k5r h ALA 177 N 1.80 1.49 0.00 -0.75 0.00 -1.89 -2.12 119.26 117.78 3k5r h ALA 177 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3k5r h ALA 177 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3k5r h ALA 177 CO -0.00 0.17 0.00 -0.07 0.00 0.00 0.00 179.25 179.35 3k5r h LEU 178 N 0.00 0.00 -7.86 0.00 4.07 -1.70 -3.40 115.31 106.42 3k5r h LEU 178 Ca -0.00 0.00 -0.75 0.00 0.08 0.00 0.00 57.88 57.21 3k5r h LEU 178 Cb 0.29 0.00 -0.23 0.00 1.08 0.00 0.00 40.66 41.81 3k5r h LEU 178 CO 0.02 0.00 0.45 -0.76 -1.08 0.00 0.00 178.44 177.07 3k5r s LEU 179 N -5.12 6.03 0.00 1.67 1.02 -0.80 -4.82 118.68 116.66 3k5r s LEU 179 Ca 0.07 -2.53 0.01 0.00 0.02 0.00 0.00 54.13 51.70 3k5r s LEU 179 Cb 0.09 -2.29 -0.01 0.00 0.02 0.00 0.00 46.19 44.01 3k5r s LEU 179 CO 0.55 -0.74 0.17 -0.67 0.02 0.00 0.00 176.35 175.68 3k5r n ASP 180 N 4.92 -0.46 0.00 2.29 -0.08 -1.26 0.20 116.55 122.16 3k5r n ASP 180 Ca 0.19 -1.91 0.00 0.00 -1.51 0.00 0.00 54.79 51.56 3k5r n ASP 180 Cb 0.47 0.93 0.00 0.00 2.34 0.00 0.00 41.12 44.86 3k5r n ASP 180 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3k5r n ARG 181 N -0.27 0.20 0.28 -0.67 1.74 -1.26 -4.38 116.66 112.30 3k5r n ARG 181 Ca 0.02 0.00 0.19 0.00 -0.77 0.00 0.00 57.85 57.29 3k5r n ARG 181 Cb 0.27 -0.74 0.92 0.00 -1.02 0.00 0.00 32.46 31.89 3k5r n ARG 181 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3k5r h GLU 182 N 0.00 0.00 0.00 5.56 4.81 -2.02 -3.31 114.58 119.63 3k5r h GLU 182 Ca 0.00 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 3k5r h GLU 182 Cb 0.47 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 3k5r h GLU 182 CO 0.00 0.00 -1.86 2.41 -0.73 0.00 0.00 179.01 178.83 3k5r n THR 183 N -2.90 0.87 -2.41 0.32 -1.04 -1.26 -4.93 114.28 102.92 3k5r n THR 183 Ca -0.01 -0.36 -0.42 0.00 -2.04 0.00 0.00 64.05 61.22 3k5r n THR 183 Cb 0.15 -0.99 -0.03 0.00 -1.82 0.00 0.00 70.33 67.64 3k5r n THR 183 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3k5r s LEU 184 N -5.76 4.27 0.33 -4.42 1.02 -1.25 -4.92 118.68 107.96 3k5r s LEU 184 Ca -0.19 1.85 0.25 0.00 0.02 0.00 0.00 54.13 56.06 3k5r s LEU 184 Cb 0.05 -3.56 1.18 0.00 0.02 0.00 0.00 46.19 43.89 3k5r s LEU 184 CO 0.37 -0.63 1.76 -0.33 0.02 0.00 0.00 176.35 177.54 3k5r h GLU 185 N 7.64 0.00 -2.65 1.70 4.39 -1.92 -3.42 114.58 120.33 3k5r h GLU 185 Ca -0.34 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.22 3k5r h GLU 185 Cb 1.16 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 29.51 3k5r h GLU 185 CO 0.90 0.00 -0.42 1.21 -1.16 0.00 0.00 179.01 179.53 3k5r s ASN 186 N -4.35 -0.05 -0.07 1.42 3.84 -1.26 -5.06 114.94 109.42 3k5r s ASN 186 Ca 0.01 0.84 0.13 0.00 0.21 0.00 0.00 52.86 54.05 3k5r s ASN 186 Cb 0.08 1.09 0.49 0.00 -0.55 0.00 0.00 41.25 42.36 3k5r s ASN 186 CO 0.33 -0.23 1.35 -0.81 -2.79 0.00 0.00 177.10 174.95 3k5r n PRO 187 N 5.32 2.82 -4.14 0.43 -0.04 -1.26 -4.81 135.00 133.32 3k5r n PRO 187 Ca -0.08 -1.93 -0.19 0.00 -0.04 0.00 0.00 63.50 61.25 3k5r n PRO 187 Cb 0.50 -1.67 -0.16 0.00 -0.04 0.00 0.00 33.50 32.12 3k5r n PRO 187 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3k5r s LYS 188 N -1.72 0.71 -0.11 0.54 2.20 -1.26 -1.36 119.74 118.73 3k5r s LYS 188 Ca 0.35 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 3k5r s LYS 188 Cb 0.22 -0.73 -0.02 0.00 -1.51 0.00 0.00 37.83 35.79 3k5r s LYS 188 CO 0.17 -0.06 -0.11 0.71 -0.36 0.00 0.00 175.35 175.70 3k5r s TYR 189 N 0.78 2.84 -0.19 4.03 1.51 0.09 -4.49 117.35 121.91 3k5r s TYR 189 Ca -0.10 -0.41 -0.09 0.00 -1.01 0.00 0.00 57.07 55.46 3k5r s TYR 189 Cb -0.13 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 3k5r s TYR 189 CO -0.00 -0.04 0.09 -1.21 -1.11 0.00 0.00 175.55 173.28 3k5r s GLU 190 N -0.01 4.07 0.04 -0.62 0.41 0.11 -0.92 118.70 121.79 3k5r s GLU 190 Ca -0.03 -0.29 0.07 0.00 -0.41 0.00 0.00 54.97 54.32 3k5r s GLU 190 Cb -0.14 -3.31 -0.03 0.00 -1.78 0.00 0.00 34.13 28.87 3k5r s GLU 190 CO 0.04 0.28 -0.20 -0.51 -0.49 0.00 0.00 175.26 174.38 3k5r s LEU 191 N 0.39 2.51 -0.20 1.80 1.43 0.14 -0.99 118.68 123.76 3k5r s LEU 191 Ca 0.05 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 52.65 3k5r s LEU 191 Cb -0.12 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 3k5r s LEU 191 CO -0.01 0.26 -0.02 -0.63 0.23 0.00 0.00 176.35 176.18 3k5r s ILE 192 N -0.89 3.77 -0.07 -0.59 1.01 -0.40 -1.15 121.20 122.88 3k5r s ILE 192 Ca 0.14 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.43 3k5r s ILE 192 Cb -0.10 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.64 3k5r s ILE 192 CO 0.04 0.44 -0.08 -0.63 0.00 0.00 0.00 174.94 174.71 3k5r s ILE 193 N 1.01 3.56 -0.03 2.92 -1.09 0.47 -0.63 121.20 127.41 3k5r s ILE 193 Ca 0.01 -0.53 0.08 0.00 -2.23 0.00 0.00 60.65 57.98 3k5r s ILE 193 Cb -0.14 -2.45 -0.02 0.00 -1.58 0.00 0.00 42.46 38.27 3k5r s ILE 193 CO 0.01 0.59 -0.26 -0.70 -1.23 0.00 0.00 174.94 173.36 3k5r s GLU 194 N -0.74 2.19 -0.11 2.79 2.12 0.20 -1.63 118.70 123.52 3k5r s GLU 194 Ca 0.11 -0.92 -0.01 0.00 0.36 0.00 0.00 54.97 54.52 3k5r s GLU 194 Cb -0.11 -2.05 -0.03 0.00 0.26 0.00 0.00 34.13 32.20 3k5r s GLU 194 CO 0.01 0.52 -0.07 0.00 -0.54 0.00 0.00 175.26 175.18 3k5r s ALA 195 N -0.51 2.94 -0.09 6.30 0.00 -0.13 -1.28 121.76 128.98 3k5r s ALA 195 Ca 0.07 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.18 3k5r s ALA 195 Cb -0.11 -1.34 0.02 0.00 0.00 0.00 0.00 23.12 21.69 3k5r s ALA 195 CO 0.00 0.41 -0.13 -1.14 0.00 0.00 0.00 175.76 174.90 3k5r s GLN 196 N -0.25 1.89 -0.08 0.00 0.74 -0.18 -1.51 119.66 120.27 3k5r s GLN 196 Ca 0.03 -0.45 -0.29 0.00 0.05 0.00 0.00 55.36 54.70 3k5r s GLN 196 Cb -0.13 -1.65 -0.06 0.00 1.10 0.00 0.00 33.01 32.27 3k5r s GLN 196 CO 0.03 -0.07 1.81 -0.51 -0.55 0.00 0.00 175.29 176.00 3k5r s ASP 197 N 1.00 6.39 0.00 6.67 -0.00 0.34 -1.71 116.67 129.37 3k5r s ASP 197 Ca -0.07 2.20 0.25 0.00 -0.00 0.00 0.00 52.55 54.93 3k5r s ASP 197 Cb -0.15 -2.53 0.47 0.00 -0.00 0.00 0.00 42.92 40.71 3k5r s ASP 197 CO -0.01 -1.16 1.40 0.23 -0.00 0.00 0.00 175.17 175.63 3k5r n MET 198 N 7.56 1.34 -3.84 8.23 2.81 -0.64 0.18 117.12 132.77 3k5r n MET 198 Ca 0.20 -0.97 -0.10 0.00 -1.81 0.00 0.00 57.70 55.02 3k5r n MET 198 Cb 0.43 -1.48 0.02 0.00 -0.71 0.00 0.00 33.22 31.48 3k5r n MET 198 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3k5r s ALA 199 N -2.33 -0.48 0.00 3.04 0.00 -0.99 -4.90 121.76 116.11 3k5r s ALA 199 Ca 0.25 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.31 3k5r s ALA 199 Cb 0.19 0.72 0.00 0.00 0.00 0.00 0.00 23.12 24.03 3k5r s ALA 199 CO 0.47 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.68 3k5r n GLY 200 N -0.55 -2.36 0.23 0.00 0.00 -1.11 -3.33 105.19 98.07 3k5r n GLY 200 Ca -0.08 -1.57 0.15 0.00 0.00 0.00 0.00 46.02 44.52 3k5r n GLY 200 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k5r h LEU 201 N 0.00 0.00 -3.39 0.99 3.38 -1.98 -2.15 115.31 112.16 3k5r h LEU 201 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3k5r h LEU 201 Cb 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 3k5r h LEU 201 CO 0.00 0.00 0.03 0.47 0.09 0.00 0.00 178.44 179.03 3k5r n ASP 202 N -2.87 3.26 -4.56 -0.43 8.00 -1.26 -5.02 116.55 113.66 3k5r n ASP 202 Ca 0.02 -3.44 -0.51 0.00 0.71 0.00 0.00 54.79 51.57 3k5r n ASP 202 Cb 0.34 -0.63 -0.05 0.00 -0.02 0.00 0.00 41.12 40.77 3k5r n ASP 202 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3k5r n VAL 203 N -0.84 0.72 0.00 2.53 3.14 -0.81 -1.99 118.33 121.09 3k5r n VAL 203 Ca 0.31 -0.18 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 3k5r n VAL 203 Cb 1.06 -0.68 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 3k5r n VAL 203 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3k5r n GLY 204 N 2.03 2.23 3.77 7.55 0.00 0.13 -4.99 105.19 115.90 3k5r n GLY 204 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 3k5r n GLY 204 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k5r s LEU 205 N 0.00 3.76 0.02 0.99 1.43 -0.84 -4.72 118.68 119.33 3k5r s LEU 205 Ca 0.00 2.17 0.02 0.00 -1.03 0.00 0.00 54.13 55.30 3k5r s LEU 205 Cb 0.00 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.64 3k5r s LEU 205 CO 0.00 -1.19 -0.08 0.42 0.23 0.00 0.00 176.35 175.73 3k5r s THR 206 N -1.77 0.56 0.14 5.49 -4.23 -1.26 -0.50 115.64 114.07 3k5r s THR 206 Ca 0.72 -0.74 0.02 0.00 -1.18 0.00 0.00 61.69 60.52 3k5r s THR 206 Cb -0.24 -0.55 -0.04 0.00 1.34 0.00 0.00 72.50 73.00 3k5r s THR 206 CO 0.27 -0.14 -0.03 -0.83 -0.54 0.00 0.00 174.62 173.34 3k5r s GLY 207 N -0.96 1.05 0.11 3.99 0.00 -0.57 -4.53 107.32 106.41 3k5r s GLY 207 Ca -0.04 -1.50 -0.02 0.00 0.00 0.00 0.00 44.72 43.16 3k5r s GLY 207 CO 0.00 -1.51 0.06 -0.51 0.00 0.00 0.00 173.10 171.14 3k5r s THR 208 N -3.60 0.13 0.18 0.90 -4.23 -1.26 -0.96 115.64 106.80 3k5r s THR 208 Ca 0.19 -1.80 -0.18 0.00 -1.18 0.00 0.00 61.69 58.72 3k5r s THR 208 Cb 0.05 -1.86 0.03 0.00 1.34 0.00 0.00 72.50 72.06 3k5r s THR 208 CO 0.01 -0.59 0.51 0.00 -0.54 0.00 0.00 174.62 174.00 3k5r s ALA 209 N -4.00 -0.96 0.21 3.99 0.00 -0.65 -4.72 121.76 115.62 3k5r s ALA 209 Ca 0.18 -0.16 0.08 0.00 0.00 0.00 0.00 51.96 52.06 3k5r s ALA 209 Cb 0.07 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 3k5r s ALA 209 CO -0.02 -0.78 0.03 0.95 0.00 0.00 0.00 175.76 175.95 3k5r s THR 210 N -3.86 3.81 0.01 0.00 -4.23 -1.26 -0.40 115.64 109.72 3k5r s THR 210 Ca 0.08 -1.52 -0.02 0.00 -1.18 0.00 0.00 61.69 59.06 3k5r s THR 210 Cb -0.01 -2.97 -0.01 0.00 1.34 0.00 0.00 72.50 70.86 3k5r s THR 210 CO -0.05 -0.21 0.02 0.00 -0.54 0.00 0.00 174.62 173.84 3k5r s ALA 211 N -1.93 -0.01 -0.03 3.99 0.00 -0.30 -4.34 121.76 119.15 3k5r s ALA 211 Ca 0.29 -0.40 0.05 0.00 0.00 0.00 0.00 51.96 51.91 3k5r s ALA 211 Cb -0.08 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 3k5r s ALA 211 CO 0.20 -0.15 -0.17 0.95 0.00 0.00 0.00 175.76 176.58 3k5r s THR 212 N -1.26 2.80 -0.10 0.00 -4.23 -0.71 0.26 115.64 112.40 3k5r s THR 212 Ca -0.14 -0.89 0.03 0.00 -1.18 0.00 0.00 61.69 59.51 3k5r s THR 212 Cb -0.08 -2.09 0.01 0.00 1.34 0.00 0.00 72.50 71.68 3k5r s THR 212 CO -0.00 0.54 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.79 3k5r s ILE 213 N -0.75 1.79 -0.19 2.99 1.01 -0.09 -0.44 121.20 125.53 3k5r s ILE 213 Ca 0.12 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 3k5r s ILE 213 Cb -0.10 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 3k5r s ILE 213 CO 0.01 0.50 0.04 -0.69 0.00 0.00 0.00 174.94 174.80 3k5r s VAL 214 N 0.61 4.49 -0.39 2.92 1.01 -0.34 -0.73 120.40 127.96 3k5r s VAL 214 Ca -0.14 -0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.46 3k5r s VAL 214 Cb -0.17 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.20 3k5r s VAL 214 CO 0.04 0.44 0.85 -0.63 0.00 0.00 0.00 175.10 175.81 3k5r s ILE 215 N 0.62 4.64 0.47 2.22 -1.09 -0.46 -0.87 121.20 126.73 3k5r s ILE 215 Ca 0.02 0.94 -0.06 0.00 -2.23 0.00 0.00 60.65 59.32 3k5r s ILE 215 Cb -0.13 -4.29 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 3k5r s ILE 215 CO 0.02 -0.55 0.79 -1.81 -1.23 0.00 0.00 174.94 172.16 3k5r s ASP 216 N 1.93 6.31 0.00 3.58 1.01 0.87 -4.86 116.67 125.51 3k5r s ASP 216 Ca 0.34 0.98 0.26 0.00 0.71 0.00 0.00 52.55 54.84 3k5r s ASP 216 Cb -0.12 -2.27 0.59 0.00 1.01 0.00 0.00 42.92 42.13 3k5r s ASP 216 CO 0.19 -0.55 1.49 0.47 0.21 0.00 0.00 175.17 176.98