#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kwk s GLY 33 N 0.00 1.58 0.29 1.09 0.00 -1.26 -5.09 107.32 103.93 3kwk s GLY 33 Ca 0.00 -0.05 -0.19 0.00 0.00 0.00 0.00 44.72 44.47 3kwk s GLY 33 CO 0.00 0.58 0.83 0.54 0.00 0.00 0.00 173.10 175.05 3kwk s ASN 34 N -2.79 -0.10 0.33 1.64 2.20 -1.26 -5.06 114.94 109.90 3kwk s ASN 34 Ca 0.67 -0.82 0.07 0.00 -0.94 0.00 0.00 52.86 51.84 3kwk s ASN 34 Cb -0.23 0.71 0.59 0.00 -2.00 0.00 0.00 41.25 40.33 3kwk s ASN 34 CO 0.62 -1.38 1.80 0.00 -2.94 0.00 0.00 177.10 175.20 3kwk h ALA 35 N 2.00 1.29 -0.16 3.54 0.00 -1.99 -1.32 119.26 122.63 3kwk h ALA 35 Ca -0.27 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 3kwk h ALA 35 Cb 1.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3kwk h ALA 35 CO 0.33 0.48 0.07 0.00 0.00 0.00 0.00 179.25 180.13 3kwk h ALA 36 N 1.49 0.20 -0.70 0.00 0.00 -1.99 -1.47 119.26 116.79 3kwk h ALA 36 Ca 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3kwk h ALA 36 Cb 0.59 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3kwk h ALA 36 CO 0.04 -0.22 0.35 -0.07 0.00 0.00 0.00 179.25 179.35 3kwk h LEU 37 N 0.12 0.91 -0.80 0.00 3.38 -1.93 -1.69 115.31 115.29 3kwk h LEU 37 Ca 0.05 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 57.98 3kwk h LEU 37 Cb 0.14 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 3kwk h LEU 37 CO -0.01 0.77 0.46 0.44 0.09 0.00 0.00 178.44 180.20 3kwk h ASP 38 N 0.98 0.69 -0.48 -0.43 3.32 -1.04 -0.60 116.42 118.84 3kwk h ASP 38 Ca 0.24 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.24 3kwk h ASP 38 Cb 0.09 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3kwk h ASP 38 CO -0.03 0.42 -0.03 -1.13 -1.72 0.00 0.00 179.24 176.74 3kwk h ASN 39 N 0.81 0.87 -0.77 6.45 -0.73 -0.97 0.07 115.58 121.31 3kwk h ASN 39 Ca 0.37 -0.32 0.03 0.00 1.87 0.00 0.00 56.30 58.24 3kwk h ASN 39 Cb 0.27 -0.23 -0.05 0.00 0.27 0.00 0.00 38.32 38.58 3kwk h ASN 39 CO -0.21 0.98 0.49 0.40 -0.37 0.00 0.00 177.43 178.72 3kwk h ILE 40 N 0.73 1.13 0.00 2.57 2.04 -0.61 -1.81 117.51 121.55 3kwk h ILE 40 Ca 0.13 -0.33 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 3kwk h ILE 40 Cb 0.55 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3kwk h ILE 40 CO 0.03 0.18 -0.47 -0.26 0.00 0.00 0.00 178.15 177.63 3kwk h PHE 41 N 0.97 0.00 0.00 1.37 0.04 -0.75 -3.27 116.94 115.30 3kwk h PHE 41 Ca 0.31 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.08 3kwk h PHE 41 Cb -0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.14 3kwk h PHE 41 CO -0.03 0.47 -0.73 0.39 -0.60 0.00 0.00 178.31 177.81 3kwk n GLU 42 N -3.57 0.02 -1.92 1.51 1.02 -0.02 -4.79 120.64 112.88 3kwk n GLU 42 Ca -0.00 -0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 3kwk n GLU 42 Cb 0.57 -1.51 -0.01 0.00 -0.02 0.00 0.00 31.44 30.47 3kwk n GLU 42 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3kwk s ARG 43 N -3.01 4.21 0.14 3.49 3.52 -0.71 -4.64 118.95 121.95 3kwk s ARG 43 Ca 0.09 2.42 -0.09 0.00 -0.13 0.00 0.00 55.73 58.03 3kwk s ARG 43 Cb 0.17 -3.04 -0.00 0.00 -1.56 0.00 0.00 34.95 30.51 3kwk s ARG 43 CO 0.77 -0.45 0.26 -1.59 -0.81 0.00 0.00 175.30 173.49 3kwk s LYS 44 N -1.23 1.07 -0.07 5.12 0.00 -1.26 -4.65 119.74 118.72 3kwk s LYS 44 Ca 0.56 -1.09 -0.30 0.00 0.00 0.00 0.00 55.97 55.14 3kwk s LYS 44 Cb -0.44 0.37 -0.03 0.00 0.00 0.00 0.00 37.83 37.73 3kwk s LYS 44 CO 0.52 -0.38 1.21 -1.12 0.00 0.00 0.00 175.35 175.59 3kwk s SER 45 N -2.93 7.03 -0.14 0.03 0.01 -1.26 -4.55 113.70 111.89 3kwk s SER 45 Ca 0.13 1.81 0.01 0.00 1.31 0.00 0.00 55.95 59.21 3kwk s SER 45 Cb 0.04 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.71 3kwk s SER 45 CO -0.04 -0.61 -0.17 -0.69 0.41 0.00 0.00 173.24 172.15 3kwk s VAL 46 N 2.38 2.59 0.00 3.43 1.01 -0.31 -4.97 120.40 124.53 3kwk s VAL 46 Ca 0.56 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3kwk s VAL 46 Cb -0.24 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.06 3kwk s VAL 46 CO 0.21 0.53 0.94 0.54 0.00 0.00 0.00 175.10 177.31 3kwk n ARG 47 N 3.90 2.51 -3.91 2.72 1.74 -1.26 -3.76 116.66 118.60 3kwk n ARG 47 Ca -0.19 -1.37 -0.12 0.00 -0.77 0.00 0.00 57.85 55.40 3kwk n ARG 47 Cb 0.52 -0.99 -0.14 0.00 -1.02 0.00 0.00 32.46 30.83 3kwk n ARG 47 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3kwk s THR 48 N -0.87 0.06 0.03 0.55 -4.23 -1.26 -4.96 115.64 104.96 3kwk s THR 48 Ca 0.00 -0.17 0.03 0.00 -1.18 0.00 0.00 61.69 60.37 3kwk s THR 48 Cb 0.00 -0.09 -0.02 0.00 1.34 0.00 0.00 72.50 73.73 3kwk s THR 48 CO 0.00 -0.07 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.61 3kwk s TYR 49 N -0.25 0.82 0.70 3.99 2.02 -1.26 -1.83 117.35 121.54 3kwk s TYR 49 Ca -0.02 -0.38 -0.14 0.00 -0.37 0.00 0.00 57.07 56.16 3kwk s TYR 49 Cb -0.02 -0.49 0.02 0.00 -0.40 0.00 0.00 41.96 41.08 3kwk s TYR 49 CO -0.00 -0.03 1.14 -0.51 -1.57 0.00 0.00 175.55 174.58 3kwk s LEU 50 N -1.19 3.32 -1.29 -1.29 1.43 0.18 -4.61 118.68 115.23 3kwk s LEU 50 Ca -0.04 2.10 -0.14 0.00 -1.03 0.00 0.00 54.13 55.02 3kwk s LEU 50 Cb -0.08 -4.56 0.12 0.00 0.03 0.00 0.00 46.19 41.70 3kwk s LEU 50 CO 0.01 -1.92 1.72 -3.20 0.23 0.00 0.00 176.35 173.19 3kwk n ASN 51 N -2.67 4.93 -3.59 2.29 5.15 -1.26 -4.67 115.26 115.44 3kwk n ASN 51 Ca 0.11 -2.97 -0.16 0.00 -0.60 0.00 0.00 54.58 50.96 3kwk n ASN 51 Cb 0.52 -1.62 -0.07 0.00 -0.53 0.00 0.00 39.78 38.08 3kwk n ASN 51 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 3kwk s LYS 52 N 2.38 0.92 0.94 1.20 -2.85 -1.26 -5.16 119.74 115.91 3kwk s LYS 52 Ca 0.46 0.36 -0.12 0.00 -1.00 0.00 0.00 55.97 55.67 3kwk s LYS 52 Cb 0.04 0.44 0.15 0.00 -2.06 0.00 0.00 37.83 36.40 3kwk s LYS 52 CO 0.01 -0.25 1.12 0.20 0.10 0.00 0.00 175.35 176.54 3kwk s GLY 53 N -0.81 1.57 -0.12 0.59 0.00 -1.26 -4.72 107.32 102.57 3kwk s GLY 53 Ca -0.09 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 44.16 3kwk s GLY 53 CO 0.07 0.10 -0.14 0.14 0.00 0.00 0.00 173.10 173.27 3kwk s VAL 54 N -3.18 2.99 0.22 1.40 1.01 -1.26 -4.91 120.40 116.67 3kwk s VAL 54 Ca 0.64 -0.69 -0.32 0.00 0.00 0.00 0.00 61.98 61.61 3kwk s VAL 54 Cb -0.16 -2.24 -0.14 0.00 0.00 0.00 0.00 36.38 33.84 3kwk s VAL 54 CO 0.55 0.54 1.33 -0.62 0.00 0.00 0.00 175.10 176.90 3kwk n GLU 55 N 3.34 1.77 -0.34 2.72 4.71 -1.26 -4.89 120.64 126.69 3kwk n GLU 55 Ca -0.18 0.63 0.08 0.00 -0.01 0.00 0.00 57.16 57.68 3kwk n GLU 55 Cb 0.53 -2.24 0.26 0.00 -1.01 0.00 0.00 31.44 28.98 3kwk n GLU 55 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 3kwk h LYS 56 N 3.97 0.92 -0.67 3.49 3.64 -2.00 -1.65 116.57 124.27 3kwk h LYS 56 Ca -0.44 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 3kwk h LYS 56 Cb 1.30 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 3kwk h LYS 56 CO 0.74 0.61 0.31 1.49 -2.27 0.00 0.00 179.45 180.33 3kwk h GLU 57 N 0.95 0.95 -0.30 1.90 4.81 -1.99 -0.94 114.58 119.96 3kwk h GLU 57 Ca 0.47 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.53 3kwk h GLU 57 Cb 0.49 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3kwk h GLU 57 CO -0.24 0.74 0.01 0.87 -0.73 0.00 0.00 179.01 179.66 3kwk h LYS 58 N 0.95 0.52 -0.61 1.92 1.57 -1.68 -1.55 116.57 117.69 3kwk h LYS 58 Ca 0.23 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3kwk h LYS 58 Cb 0.11 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3kwk h LYS 58 CO -0.03 0.66 0.40 0.82 -0.57 0.00 0.00 179.45 180.73 3kwk h ILE 59 N 0.32 1.14 -0.79 1.86 2.04 -1.15 -2.79 117.51 118.13 3kwk h ILE 59 Ca 0.09 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.69 3kwk h ILE 59 Cb 0.42 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 3kwk h ILE 59 CO 0.01 0.15 0.51 0.44 0.00 0.00 0.00 178.15 179.26 3kwk h ASP 60 N 0.81 0.86 0.00 1.72 3.32 -1.02 -2.08 116.42 120.03 3kwk h ASP 60 Ca 0.23 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3kwk h ASP 60 Cb -0.07 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.28 3kwk h ASP 60 CO -0.06 0.60 0.00 0.18 -1.72 0.00 0.00 179.24 178.24 3kwk n LEU 61 N -4.58 1.66 0.00 1.55 4.77 -0.60 -1.31 117.00 118.50 3kwk n LEU 61 Ca 0.09 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 3kwk n LEU 61 Cb 0.07 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 3kwk n LEU 61 CO 0.34 0.30 0.00 0.18 -1.33 0.00 0.00 177.39 176.88 3kwk n LEU 63 N 1.15 0.00 -0.25 2.23 4.77 -0.78 -0.78 117.00 123.33 3kwk n LEU 63 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3kwk n LEU 63 Cb 0.21 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.43 3kwk n LEU 63 CO 0.00 0.00 1.11 0.03 -1.33 0.00 0.00 177.39 177.20 3kwk h ARG 64 N 0.00 0.70 -0.21 3.23 3.08 -1.48 -2.39 114.38 117.32 3kwk h ARG 64 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3kwk h ARG 64 Cb 0.00 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3kwk h ARG 64 CO 0.00 0.46 0.14 0.00 -1.07 0.00 0.00 179.97 179.50 3kwk h ALA 65 N 1.39 0.26 0.00 0.04 0.00 -1.22 -2.63 119.26 117.10 3kwk h ALA 65 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3kwk h ALA 65 Cb 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kwk h ALA 65 CO -0.21 -0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.19 3kwk n GLY 66 N -1.15 0.00 1.66 0.00 0.00 -0.90 -3.69 105.19 101.11 3kwk n GLY 66 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3kwk n GLY 66 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kwk n SER 68 N 0.80 0.00 -4.58 1.61 7.64 -0.99 -4.48 113.62 113.63 3kwk n SER 68 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 3kwk n SER 68 Cb 0.00 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.31 3kwk n SER 68 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kwk n ALA 69 N 0.69 -0.91 -1.18 -0.43 0.00 -1.24 -5.01 120.51 112.43 3kwk n ALA 69 Ca 0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 53.44 52.78 3kwk n ALA 69 Cb 0.00 -2.06 0.14 0.00 0.00 0.00 0.00 19.45 17.53 3kwk n ALA 69 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kwk s PRO 70 N -3.67 1.15 -0.21 0.00 0.04 -1.26 -5.02 135.00 126.03 3kwk s PRO 70 Ca 0.68 0.82 -0.10 0.00 0.04 0.00 0.00 61.00 62.45 3kwk s PRO 70 Cb -0.29 -1.80 0.08 0.00 0.04 0.00 0.00 34.50 32.53 3kwk s PRO 70 CO 0.56 -2.31 0.48 0.45 0.04 0.00 0.00 177.00 176.22 3kwk s SER 71 N -3.38 -0.56 -0.04 6.66 0.15 -1.26 -4.74 113.70 110.52 3kwk s SER 71 Ca 0.64 1.10 -0.36 0.00 0.70 0.00 0.00 55.95 58.03 3kwk s SER 71 Cb -0.18 1.24 -0.14 0.00 -1.71 0.00 0.00 66.02 65.23 3kwk s SER 71 CO 0.57 -0.22 1.67 0.61 1.20 0.00 0.00 173.24 177.07 3kwk n GLY 72 N 4.81 1.04 2.48 9.45 0.00 -1.26 -0.86 105.19 120.85 3kwk n GLY 72 Ca -0.16 0.80 -0.17 0.00 0.00 0.00 0.00 46.02 46.49 3kwk n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kwk n LYS 73 N 4.77 -1.47 -4.10 1.61 5.02 -1.26 -2.46 118.16 120.27 3kwk n LYS 73 Ca 0.21 1.04 -0.34 0.00 -2.02 0.00 0.00 58.31 57.20 3kwk n LYS 73 Cb 0.23 -5.38 -0.01 0.00 -0.02 0.00 0.00 35.03 29.85 3kwk n LYS 73 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3kwk n ASP 74 N -1.07 -3.81 0.01 4.39 2.03 -0.04 -4.87 116.55 113.19 3kwk n ASP 74 Ca -0.17 -0.91 -0.11 0.00 0.52 0.00 0.00 54.79 54.12 3kwk n ASP 74 Cb 0.60 -3.09 0.02 0.00 -0.72 0.00 0.00 41.12 37.93 3kwk n ASP 74 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3kwk h VAL 75 N -1.64 1.33 -5.25 5.18 2.07 -1.69 -3.48 116.25 112.77 3kwk h VAL 75 Ca -0.58 -1.91 -0.25 0.00 0.82 0.00 0.00 66.70 64.78 3kwk h VAL 75 Cb 1.38 1.89 0.17 0.00 -1.52 0.00 0.00 31.29 33.21 3kwk h VAL 75 CO 0.74 0.59 -0.76 0.54 0.02 0.00 0.00 177.57 178.71 3kwk n ARG 76 N -3.92 -3.15 -0.01 1.57 1.74 -1.26 -4.90 116.66 106.73 3kwk n ARG 76 Ca -0.04 0.78 0.13 0.00 -0.77 0.00 0.00 57.85 57.96 3kwk n ARG 76 Cb 0.66 -5.47 0.73 0.00 -1.02 0.00 0.00 32.46 27.35 3kwk n ARG 76 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3kwk n PRO 77 N -3.28 1.16 -2.16 5.56 -0.04 -1.26 -4.90 135.00 130.07 3kwk n PRO 77 Ca -0.12 -0.23 -0.37 0.00 -0.04 0.00 0.00 63.50 62.74 3kwk n PRO 77 Cb 0.62 -1.43 -0.00 0.00 -0.04 0.00 0.00 33.50 32.65 3kwk n PRO 77 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3kwk s TRP 78 N -1.98 2.77 -0.02 0.54 -2.14 -1.26 0.06 118.94 116.91 3kwk s TRP 78 Ca 0.40 1.50 0.01 0.00 2.66 0.00 0.00 56.10 60.66 3kwk s TRP 78 Cb 0.19 -3.47 0.02 0.00 -3.10 0.00 0.00 33.47 27.10 3kwk s TRP 78 CO 0.31 -1.78 -0.02 -1.21 -2.66 0.00 0.00 176.95 171.59 3kwk s GLU 79 N -2.70 0.34 -0.10 3.25 0.41 -0.11 -4.86 118.70 114.93 3kwk s GLU 79 Ca 0.64 -0.02 0.03 0.00 -0.41 0.00 0.00 54.97 55.22 3kwk s GLU 79 Cb -0.31 -0.43 -0.01 0.00 -1.78 0.00 0.00 34.13 31.60 3kwk s GLU 79 CO 0.38 -0.05 -0.20 -0.06 -0.49 0.00 0.00 175.26 174.84 3kwk s PHE 80 N 0.59 2.64 -0.26 1.61 0.08 -1.26 -0.59 117.98 120.79 3kwk s PHE 80 Ca -0.06 -0.83 -0.06 0.00 0.12 0.00 0.00 56.93 56.10 3kwk s PHE 80 Cb -0.09 -1.74 -0.01 0.00 -0.57 0.00 0.00 43.02 40.61 3kwk s PHE 80 CO -0.01 -0.29 0.04 0.08 -0.10 0.00 0.00 175.22 174.94 3kwk s VAL 81 N 0.23 3.88 -0.35 -0.44 1.01 -0.44 -4.94 120.40 119.33 3kwk s VAL 81 Ca -0.13 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 3kwk s VAL 81 Cb -0.16 -2.87 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 3kwk s VAL 81 CO 0.07 0.26 0.58 -0.69 0.00 0.00 0.00 175.10 175.32 3kwk s VAL 82 N 1.53 4.95 -0.28 2.92 1.01 -1.26 -0.31 120.40 128.95 3kwk s VAL 82 Ca 0.05 0.48 -0.07 0.00 0.00 0.00 0.00 61.98 62.43 3kwk s VAL 82 Cb -0.16 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 3kwk s VAL 82 CO 0.01 -0.26 0.08 -0.69 0.00 0.00 0.00 175.10 174.24 3kwk s VAL 83 N 2.56 4.13 -0.08 2.92 1.01 0.30 -4.92 120.40 126.33 3kwk s VAL 83 Ca 0.22 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.79 3kwk s VAL 83 Cb -0.15 -3.06 -0.13 0.00 0.00 0.00 0.00 36.38 33.03 3kwk s VAL 83 CO 0.14 0.16 0.23 -1.20 0.00 0.00 0.00 175.10 174.43 3kwk n SER 84 N 4.90 2.51 -4.63 3.32 7.64 -1.26 -1.55 113.62 124.54 3kwk n SER 84 Ca -0.15 -0.11 -0.43 0.00 1.01 0.00 0.00 58.87 59.19 3kwk n SER 84 Cb 0.49 1.35 -0.03 0.00 -1.01 0.00 0.00 64.21 65.02 3kwk n SER 84 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3kwk s ASP 85 N -2.86 6.18 0.20 6.43 -1.08 -1.26 -4.85 116.67 119.44 3kwk s ASP 85 Ca -0.02 2.01 -0.11 0.00 -0.52 0.00 0.00 52.55 53.91 3kwk s ASP 85 Cb 0.06 -2.53 0.25 0.00 -1.46 0.00 0.00 42.92 39.25 3kwk s ASP 85 CO 0.38 -1.36 1.71 -0.09 0.52 0.00 0.00 175.17 176.33 3kwk h ARG 86 N 11.71 0.24 -0.77 4.34 9.65 -1.95 -0.76 114.38 136.84 3kwk h ARG 86 Ca -0.40 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.41 3kwk h ARG 86 Cb 1.20 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.69 3kwk h ARG 86 CO 0.97 0.16 0.27 0.00 2.80 0.00 0.00 179.97 184.17 3kwk h ALA 87 N 1.45 1.02 -0.38 2.80 0.00 -1.99 -1.17 119.26 120.98 3kwk h ALA 87 Ca 0.29 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3kwk h ALA 87 Cb 0.41 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3kwk h ALA 87 CO -0.38 0.67 -0.07 0.87 0.00 0.00 0.00 179.25 180.34 3kwk h LYS 88 N 1.14 0.72 -0.39 0.00 1.57 -1.76 -0.89 116.57 116.95 3kwk h LYS 88 Ca 0.25 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3kwk h LYS 88 Cb 0.27 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 3kwk h LYS 88 CO -0.01 0.86 0.20 -0.07 -0.57 0.00 0.00 179.45 179.85 3kwk h LEU 89 N 0.53 0.28 -0.64 2.94 3.38 -1.01 -2.94 115.31 117.85 3kwk h LEU 89 Ca 0.10 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 3kwk h LEU 89 Cb 0.58 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3kwk h LEU 89 CO 0.03 0.21 -0.46 0.44 0.09 0.00 0.00 178.44 178.75 3kwk h ASP 90 N 0.40 0.56 0.00 -0.43 3.32 -1.15 -0.90 116.42 118.22 3kwk h ASP 90 Ca 0.17 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3kwk h ASP 90 Cb 0.08 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3kwk h ASP 90 CO -0.12 0.94 0.00 -1.20 -1.72 0.00 0.00 179.24 177.14 3kwk n SER 91 N -4.00 0.61 0.00 6.45 7.64 -0.35 -1.50 113.62 122.47 3kwk n SER 91 Ca -0.02 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 59.15 3kwk n SER 91 Cb 0.55 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 3kwk n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kwk n ALA 93 N 0.50 0.00 -0.04 -0.43 0.00 -0.34 -2.41 120.51 117.79 3kwk n ALA 93 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3kwk n ALA 93 Cb 0.12 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.78 3kwk n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kwk h ALA 94 N 0.00 1.17 0.00 0.00 0.00 -1.54 -3.19 119.26 115.71 3kwk h ALA 94 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3kwk h ALA 94 Cb 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3kwk h ALA 94 CO 0.00 0.53 -1.10 0.00 0.00 0.00 0.00 179.25 178.68 3kwk n ALA 95 N -2.48 2.52 -2.74 0.00 0.00 -1.01 -4.85 120.51 111.94 3kwk n ALA 95 Ca 0.01 -0.27 -0.35 0.00 0.00 0.00 0.00 53.44 52.83 3kwk n ALA 95 Cb 0.32 -1.07 -0.08 0.00 0.00 0.00 0.00 19.45 18.62 3kwk n ALA 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kwk s LEU 96 N -5.32 4.23 0.32 0.00 1.43 -1.20 -4.97 118.68 113.17 3kwk s LEU 96 Ca -0.01 0.27 0.13 0.00 -1.03 0.00 0.00 54.13 53.50 3kwk s LEU 96 Cb 0.10 -2.11 0.50 0.00 0.03 0.00 0.00 46.19 44.71 3kwk s LEU 96 CO 0.80 0.20 1.67 1.55 0.23 0.00 0.00 176.35 180.80 3kwk h PRO 97 N 6.50 0.00 -0.27 1.29 0.13 -1.89 -3.26 132.00 134.50 3kwk h PRO 97 Ca -0.42 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.48 3kwk h PRO 97 Cb 1.16 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.01 3kwk h PRO 97 CO 0.74 0.51 -0.83 0.66 -0.23 0.00 0.00 178.00 178.86 3kwk n TYR 98 N -3.74 0.94 -2.19 1.56 4.01 -1.26 -4.67 117.16 111.81 3kwk n TYR 98 Ca -0.01 -1.57 -0.05 0.00 -0.16 0.00 0.00 57.90 56.11 3kwk n TYR 98 Cb 0.56 -0.25 0.08 0.00 -0.31 0.00 0.00 39.34 39.42 3kwk n TYR 98 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kwk n ALA 99 N -0.53 3.59 -0.33 -0.72 0.00 -1.23 -4.89 120.51 116.39 3kwk n ALA 99 Ca 0.20 -3.15 -0.05 0.00 0.00 0.00 0.00 53.44 50.44 3kwk n ALA 99 Cb 0.89 -0.54 -0.05 0.00 0.00 0.00 0.00 19.45 19.76 3kwk n ALA 99 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kwk n LYS 100 N -0.56 0.72 0.00 0.00 4.76 -1.26 -4.48 118.16 117.33 3kwk n LYS 100 Ca 0.22 -0.42 0.00 0.00 -2.87 0.00 0.00 58.31 55.24 3kwk n LYS 100 Cb 0.89 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 3kwk n LYS 100 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3kwk n LEU 102 N 3.07 0.00 0.21 -0.35 4.77 -1.26 -4.53 117.00 118.91 3kwk n LEU 102 Ca 0.15 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.28 3kwk n LEU 102 Cb 0.26 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 41.92 3kwk n LEU 102 CO 0.26 0.00 0.93 0.71 -1.33 0.00 0.00 177.39 177.96 3kwk h THR 103 N 0.00 0.00 -0.13 -5.08 1.35 -1.82 -2.92 112.91 104.31 3kwk h THR 103 Ca 0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3kwk h THR 103 Cb 0.00 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 3kwk h THR 103 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 3kwk n GLN 104 N -2.74 1.36 -3.44 4.72 10.64 -1.26 -4.95 117.38 121.70 3kwk n GLN 104 Ca 0.02 -1.49 -0.38 0.00 -1.83 0.00 0.00 57.00 53.32 3kwk n GLN 104 Cb 0.30 -1.24 -0.06 0.00 -0.86 0.00 0.00 30.24 28.38 3kwk n GLN 104 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3kwk s ALA 105 N -0.99 3.67 -0.04 2.61 0.00 -1.10 -4.62 121.76 121.28 3kwk s ALA 105 Ca 0.17 -0.15 0.15 0.00 0.00 0.00 0.00 51.96 52.13 3kwk s ALA 105 Cb 0.11 -2.45 0.17 0.00 0.00 0.00 0.00 23.12 20.94 3kwk s ALA 105 CO 0.15 0.46 1.49 0.00 0.00 0.00 0.00 175.76 177.86 3kwk h ARG 106 N 4.61 0.00 -3.54 0.00 2.47 -1.87 -3.48 114.38 112.58 3kwk h ARG 106 Ca -0.51 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.14 3kwk h ARG 106 Cb 1.22 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 29.40 3kwk h ARG 106 CO 0.62 0.55 -0.19 -0.80 0.56 0.00 0.00 179.97 180.70 3kwk s ASN 107 N -6.49 -0.09 -0.01 7.04 0.01 -1.26 -4.56 114.94 109.58 3kwk s ASN 107 Ca 0.03 -0.43 -0.08 0.00 -0.71 0.00 0.00 52.86 51.67 3kwk s ASN 107 Cb 0.09 0.42 0.01 0.00 0.41 0.00 0.00 41.25 42.17 3kwk s ASN 107 CO 0.74 -0.79 0.16 0.00 -1.51 0.00 0.00 177.10 175.70 3kwk s ALA 108 N -3.74 -0.38 -0.20 0.60 0.00 -0.60 -2.58 121.76 114.86 3kwk s ALA 108 Ca 0.03 0.03 -0.06 0.00 0.00 0.00 0.00 51.96 51.96 3kwk s ALA 108 Cb 0.03 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 3kwk s ALA 108 CO -0.11 -0.19 0.04 0.42 0.00 0.00 0.00 175.76 175.92 3kwk s ILE 109 N -1.08 4.34 -0.36 0.00 1.01 -0.33 -0.54 121.20 124.26 3kwk s ILE 109 Ca -0.12 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.20 3kwk s ILE 109 Cb -0.06 -2.97 -0.01 0.00 0.01 0.00 0.00 42.46 39.43 3kwk s ILE 109 CO 0.01 0.42 0.35 -0.63 0.00 0.00 0.00 174.94 175.10 3kwk s ILE 110 N 0.85 5.18 -0.28 2.92 1.01 0.58 -0.42 121.20 131.04 3kwk s ILE 110 Ca 0.02 -0.10 -0.20 0.00 0.00 0.00 0.00 60.65 60.37 3kwk s ILE 110 Cb -0.14 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 3kwk s ILE 110 CO 0.02 -0.14 0.62 -0.69 0.00 0.00 0.00 174.94 174.75 3kwk s VAL 111 N 1.96 4.97 0.27 2.92 1.01 -0.14 -1.33 120.40 130.06 3kwk s VAL 111 Ca 0.10 0.98 0.08 0.00 0.00 0.00 0.00 61.98 63.15 3kwk s VAL 111 Cb -0.17 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 3kwk s VAL 111 CO 0.12 -0.04 -0.11 0.00 0.00 0.00 0.00 175.10 175.07 3kwk s GLY 113 N -3.44 0.77 -0.88 0.00 0.00 0.27 -0.94 107.32 103.11 3kwk s GLY 113 Ca 0.28 -0.65 -0.23 0.00 0.00 0.00 0.00 44.72 44.12 3kwk s GLY 113 CO 0.11 -0.49 1.27 -0.35 0.00 0.00 0.00 173.10 173.65 3kwk s ASP 114 N -0.26 6.39 0.28 1.64 -1.08 0.11 -0.92 116.67 122.83 3kwk s ASP 114 Ca 0.04 -1.23 0.23 0.00 -0.52 0.00 0.00 52.55 51.07 3kwk s ASP 114 Cb -0.07 -2.51 1.05 0.00 -1.46 0.00 0.00 42.92 39.93 3kwk s ASP 114 CO -0.00 -1.50 1.69 -1.54 0.52 0.00 0.00 175.17 174.34 3kwk n SER 115 N 8.41 0.63 0.18 -0.34 3.41 -0.21 -1.89 113.62 123.81 3kwk n SER 115 Ca 0.18 0.70 0.05 0.00 -0.26 0.00 0.00 58.87 59.54 3kwk n SER 115 Cb 0.49 -0.82 0.29 0.00 -0.26 0.00 0.00 64.21 63.91 3kwk n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kwk h ALA 116 N 2.16 0.96 0.00 7.33 0.00 -1.89 -3.30 119.26 124.51 3kwk h ALA 116 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3kwk h ALA 116 Cb 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kwk h ALA 116 CO 0.00 0.52 -1.61 0.54 0.00 0.00 0.00 179.25 178.70 3kwk n ARG 117 N -3.53 0.67 -3.69 0.00 1.74 -0.80 -4.98 116.66 106.09 3kwk n ARG 117 Ca -0.00 -0.13 -0.10 0.00 -0.77 0.00 0.00 57.85 56.85 3kwk n ARG 117 Cb 0.54 -1.42 -0.10 0.00 -1.02 0.00 0.00 32.46 30.45 3kwk n ARG 117 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3kwk s SER 118 N -3.80 -0.54 0.00 0.55 0.15 -1.07 -4.98 113.70 104.01 3kwk s SER 118 Ca -0.03 0.96 0.28 0.00 0.70 0.00 0.00 55.95 57.85 3kwk s SER 118 Cb 0.12 0.88 1.47 0.00 -1.71 0.00 0.00 66.02 66.78 3kwk s SER 118 CO 0.77 -0.20 1.97 2.22 1.20 0.00 0.00 173.24 179.20 3kwk n PHE 119 N 4.36 0.02 0.60 3.44 1.16 -1.26 -2.94 117.46 122.83 3kwk n PHE 119 Ca -0.22 -0.01 0.10 0.00 -1.87 0.00 0.00 57.45 55.45 3kwk n PHE 119 Cb 0.55 0.00 0.27 0.00 -1.61 0.00 0.00 39.48 38.69 3kwk n PHE 119 CO 0.00 0.00 0.00 0.66 -1.87 0.00 0.00 176.76 175.55 3kwk n TYR 120 N -0.60 0.50 -0.26 2.97 4.01 -1.26 -4.70 117.16 117.82 3kwk n TYR 120 Ca 0.20 -0.25 0.05 0.00 -0.16 0.00 0.00 57.90 57.74 3kwk n TYR 120 Cb 0.17 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.38 3kwk n TYR 120 CO 0.00 0.00 0.00 0.11 -0.46 0.00 0.00 176.86 176.51 3kwk h TRP 121 N 3.19 0.53 0.00 -0.72 5.08 -1.88 -0.07 115.95 122.08 3kwk h TRP 121 Ca 0.00 0.04 -0.00 0.00 1.08 0.00 0.00 58.89 60.00 3kwk h TRP 121 Cb 0.71 -0.12 -0.00 0.00 -3.00 0.00 0.00 29.16 26.75 3kwk h TRP 121 CO 0.25 0.08 -0.00 0.10 -1.28 0.00 0.00 178.44 177.59 3kwk h TYR 122 N 0.46 0.00 0.00 0.12 -0.00 -1.88 0.50 116.97 116.17 3kwk h TYR 122 Ca 0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 59.14 3kwk h TYR 122 Cb 0.60 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.33 3kwk h TYR 122 CO -0.16 0.00 -0.00 -0.07 -0.00 0.00 0.00 178.16 177.93 3kwk h LEU 123 N 0.00 0.00 -0.63 0.10 3.38 -1.40 -2.65 115.31 114.12 3kwk h LEU 123 Ca -0.00 -0.31 0.13 0.00 0.09 0.00 0.00 57.88 57.79 3kwk h LEU 123 Cb 0.71 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.34 3kwk h LEU 123 CO 0.00 0.66 -0.13 0.44 0.09 0.00 0.00 178.44 179.49 3kwk h ASP 124 N -1.00 -0.54 0.54 -0.43 5.19 -1.32 -1.60 116.42 117.27 3kwk h ASP 124 Ca -0.00 0.18 -0.08 0.00 -0.62 0.00 0.00 57.03 56.51 3kwk h ASP 124 Cb 0.31 0.37 -0.01 0.00 0.18 0.00 0.00 39.33 40.18 3kwk h ASP 124 CO -0.00 -0.20 -0.38 0.00 -3.12 0.00 0.00 179.24 175.54 3kwk h SER 126 N 0.00 1.05 -0.61 0.00 0.02 -0.96 0.13 113.55 113.19 3kwk h SER 126 Ca -0.00 -0.34 -0.07 0.00 -0.84 0.00 0.00 61.79 60.54 3kwk h SER 126 Cb 0.75 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 3kwk h SER 126 CO 0.05 1.14 0.12 0.00 -1.14 0.00 0.00 176.83 177.00 3kwk h ALA 127 N 0.95 1.01 -0.39 3.77 0.00 -0.77 -1.10 119.26 122.73 3kwk h ALA 127 Ca 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3kwk h ALA 127 Cb 0.65 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3kwk h ALA 127 CO 0.04 0.63 0.13 0.00 0.00 0.00 0.00 179.25 180.06 3kwk h ALA 128 N 1.16 0.51 -0.87 0.00 0.00 -0.96 -1.42 119.26 117.67 3kwk h ALA 128 Ca 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3kwk h ALA 128 Cb 0.39 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3kwk h ALA 128 CO 0.01 0.14 0.45 0.00 0.00 0.00 0.00 179.25 179.85 3kwk h ALA 129 N 0.97 1.15 -0.55 0.00 0.00 -0.53 -1.29 119.26 119.01 3kwk h ALA 129 Ca 0.13 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3kwk h ALA 129 Cb 0.24 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3kwk h ALA 129 CO -0.01 0.66 -0.10 0.37 0.00 0.00 0.00 179.25 180.18 3kwk h GLN 130 N 1.23 1.03 -0.94 0.00 5.75 -0.86 -0.57 115.11 120.76 3kwk h GLN 130 Ca 0.30 -0.38 0.06 0.00 -0.15 0.00 0.00 58.65 58.49 3kwk h GLN 130 Cb 0.07 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.49 3kwk h GLN 130 CO -0.04 1.07 0.60 -0.91 -2.65 0.00 0.00 178.83 176.90 3kwk h ASN 131 N 0.92 0.97 -0.38 -0.69 2.35 -0.83 -0.57 115.58 117.35 3kwk h ASN 131 Ca 0.14 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3kwk h ASN 131 Cb 0.67 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 3kwk h ASN 131 CO 0.05 0.63 0.15 0.40 -1.65 0.00 0.00 177.43 177.01 3kwk h ILE 132 N 1.11 1.19 -0.81 2.81 2.04 -0.58 0.43 117.51 123.69 3kwk h ILE 132 Ca 0.40 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 3kwk h ILE 132 Cb 0.14 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3kwk h ILE 132 CO -0.16 0.21 0.39 -0.07 0.00 0.00 0.00 178.15 178.52 3kwk h LEU 133 N 0.46 1.06 -0.38 1.44 3.38 -0.72 -0.37 115.31 120.19 3kwk h LEU 133 Ca 0.13 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3kwk h LEU 133 Cb 0.18 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3kwk h LEU 133 CO -0.01 0.89 -0.09 -0.07 0.09 0.00 0.00 178.44 179.25 3kwk h LEU 134 N 1.16 0.73 -0.25 1.67 3.38 -0.91 -1.85 115.31 119.24 3kwk h LEU 134 Ca 0.28 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3kwk h LEU 134 Cb 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3kwk h LEU 134 CO -0.04 0.92 0.13 0.00 0.09 0.00 0.00 178.44 179.55 3kwk h ALA 135 N 0.83 0.30 -0.19 1.53 0.00 -0.66 -1.09 119.26 119.99 3kwk h ALA 135 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3kwk h ALA 135 Cb 0.60 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3kwk h ALA 135 CO 0.04 -0.27 -0.16 0.00 0.00 0.00 0.00 179.25 178.86 3kwk h ALA 136 N 1.12 -0.03 -0.81 0.00 0.00 -0.91 -2.35 119.26 116.29 3kwk h ALA 136 Ca 0.10 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.15 3kwk h ALA 136 Cb 0.02 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3kwk h ALA 136 CO -0.06 -0.59 0.48 1.49 0.00 0.00 0.00 179.25 180.57 3kwk h GLU 137 N -0.17 0.84 -1.80 0.00 4.57 -0.99 -1.22 114.58 115.80 3kwk h GLU 137 Ca 0.11 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3kwk h GLU 137 Cb 0.34 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3kwk h GLU 137 CO -0.29 0.55 0.00 -1.13 -1.18 0.00 0.00 179.01 176.97 3kwk n SER 138 N -4.69 1.63 -0.13 1.04 3.41 -0.44 -4.30 113.62 110.13 3kwk n SER 138 Ca 0.12 -1.16 0.02 0.00 -0.26 0.00 0.00 58.87 57.59 3kwk n SER 138 Cb 0.20 -0.32 0.02 0.00 -0.26 0.00 0.00 64.21 63.86 3kwk n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kwk n GLY 140 N 1.29 0.68 4.00 5.00 0.00 -1.17 -5.10 105.19 109.88 3kwk n GLY 140 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 3kwk n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kwk s LEU 141 N -0.74 3.60 0.07 0.99 1.43 -0.47 -4.54 118.68 119.02 3kwk s LEU 141 Ca 0.05 -0.28 0.08 0.00 -1.03 0.00 0.00 54.13 52.95 3kwk s LEU 141 Cb 0.05 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 3kwk s LEU 141 CO 0.01 -0.81 -0.22 -0.83 0.23 0.00 0.00 176.35 174.72 3kwk s GLY 142 N -4.35 1.25 0.19 -3.19 0.00 0.12 -3.87 107.32 97.47 3kwk s GLY 142 Ca 0.54 -1.19 -0.12 0.00 0.00 0.00 0.00 44.72 43.95 3kwk s GLY 142 CO 0.34 -1.14 0.38 0.00 0.00 0.00 0.00 173.10 172.68 3kwk s ALA 143 N -0.95 -0.24 -0.10 3.20 0.00 -1.26 -1.54 121.76 120.87 3kwk s ALA 143 Ca 0.08 -0.75 -0.08 0.00 0.00 0.00 0.00 51.96 51.22 3kwk s ALA 143 Cb -0.09 0.92 0.03 0.00 0.00 0.00 0.00 23.12 23.98 3kwk s ALA 143 CO 0.03 -0.73 0.26 0.54 0.00 0.00 0.00 175.76 175.86 3kwk s VAL 144 N -3.96 -0.01 -0.24 0.00 0.11 -1.10 -1.16 120.40 114.04 3kwk s VAL 144 Ca 0.17 0.05 -0.29 0.00 -2.93 0.00 0.00 61.98 58.97 3kwk s VAL 144 Cb 0.01 -0.38 -0.01 0.00 -1.53 0.00 0.00 36.38 34.48 3kwk s VAL 144 CO 0.02 0.02 1.29 0.86 -3.33 0.00 0.00 175.10 173.95 3kwk s TRP 145 N 0.50 2.76 -0.16 1.54 -0.11 -1.26 -3.74 118.94 118.47 3kwk s TRP 145 Ca -0.03 0.93 -0.02 0.00 1.22 0.00 0.00 56.10 58.21 3kwk s TRP 145 Cb -0.04 -3.72 -0.01 0.00 -1.50 0.00 0.00 33.47 28.19 3kwk s TRP 145 CO -0.03 -1.71 -0.09 0.95 -4.62 0.00 0.00 176.95 171.45 3kwk s THR 146 N 3.99 3.25 0.24 5.86 -4.23 -0.55 -5.00 115.64 119.21 3kwk s THR 146 Ca 0.56 -0.57 -0.30 0.00 -1.18 0.00 0.00 61.69 60.20 3kwk s THR 146 Cb -0.19 -2.41 -0.09 0.00 1.34 0.00 0.00 72.50 71.14 3kwk s THR 146 CO 0.19 0.49 1.34 0.00 -0.54 0.00 0.00 174.62 176.10 3kwk s ALA 147 N 0.70 3.54 0.00 3.99 0.00 -1.26 -0.95 121.76 127.78 3kwk s ALA 147 Ca -0.05 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.11 3kwk s ALA 147 Cb -0.15 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3kwk s ALA 147 CO 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 175.76 175.18 3kwk n ALA 148 N 2.10 0.28 -1.53 0.00 0.00 -0.67 -4.81 120.51 115.89 3kwk n ALA 148 Ca 0.05 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 53.01 3kwk n ALA 148 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 3kwk n ALA 148 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3kwk n TYR 149 N -0.83 0.75 0.06 0.00 4.19 -0.92 -0.72 117.16 119.68 3kwk n TYR 149 Ca 0.00 0.79 0.05 0.00 3.31 0.00 0.00 57.90 62.05 3kwk n TYR 149 Cb 0.00 -2.17 0.23 0.00 0.49 0.00 0.00 39.34 37.90 3kwk n TYR 149 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3kwk n PRO 150 N 1.11 2.99 -3.15 2.98 -0.04 -1.26 -4.84 135.00 132.79 3kwk n PRO 150 Ca 0.14 -1.83 -0.43 0.00 -0.04 0.00 0.00 63.50 61.34 3kwk n PRO 150 Cb 0.27 -1.79 -0.07 0.00 -0.04 0.00 0.00 33.50 31.87 3kwk n PRO 150 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3kwk s TYR 151 N -1.88 3.10 0.34 0.54 2.02 0.10 -4.93 117.35 116.65 3kwk s TYR 151 Ca 0.32 0.00 0.01 0.00 -0.37 0.00 0.00 57.07 57.04 3kwk s TYR 151 Cb 0.23 -3.22 0.59 0.00 -0.40 0.00 0.00 41.96 39.16 3kwk s TYR 151 CO 0.13 -0.77 1.99 0.93 -1.57 0.00 0.00 175.55 176.26 3kwk h GLU 152 N 8.75 0.87 -0.68 -0.62 5.08 -1.99 -2.30 114.58 123.69 3kwk h GLU 152 Ca -0.26 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 3kwk h GLU 152 Cb 1.10 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.13 3kwk h GLU 152 CO 0.86 0.59 0.15 0.38 -1.00 0.00 0.00 179.01 179.99 3kwk h ASP 153 N 0.90 1.04 0.00 1.42 2.03 -1.93 -1.45 116.42 118.43 3kwk h ASP 153 Ca 0.24 -0.24 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3kwk h ASP 153 Cb -0.08 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 38.15 3kwk h ASP 153 CO -0.05 1.01 0.00 0.54 -1.03 0.00 0.00 179.24 179.71 3kwk n ARG 154 N -4.26 0.26 0.00 4.15 1.74 -0.87 -1.64 116.66 116.05 3kwk n ARG 154 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 3kwk n ARG 154 Cb 0.26 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 3kwk n ARG 154 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3kwk n GLU 156 N 0.79 0.00 0.02 5.56 4.07 -0.55 -2.02 120.64 128.52 3kwk n GLU 156 Ca 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.00 3kwk n GLU 156 Cb 0.12 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.47 3kwk n GLU 156 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3kwk h VAL 157 N 0.00 0.45 -0.62 6.31 2.07 -1.59 -0.59 116.25 122.28 3kwk h VAL 157 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3kwk h VAL 157 Cb 0.00 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 3kwk h VAL 157 CO 0.00 0.00 0.25 0.58 0.02 0.00 0.00 177.57 178.42 3kwk h VAL 158 N -0.31 1.23 -0.90 2.57 2.07 -1.70 -2.36 116.25 116.85 3kwk h VAL 158 Ca 0.09 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.93 3kwk h VAL 158 Cb 0.44 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 3kwk h VAL 158 CO -0.27 0.28 0.59 -0.09 0.02 0.00 0.00 177.57 178.09 3kwk h ARG 159 N 0.86 1.12 -0.17 1.57 2.43 -1.75 -1.45 114.38 116.99 3kwk h ARG 159 Ca 0.21 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3kwk h ARG 159 Cb 0.19 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3kwk h ARG 159 CO -0.02 0.74 0.06 -0.22 -1.51 0.00 0.00 179.97 179.02 3kwk h LYS 160 N 1.16 0.26 0.00 0.20 3.64 -0.67 0.66 116.57 121.81 3kwk h LYS 160 Ca 0.35 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.62 3kwk h LYS 160 Cb -0.03 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3kwk h LYS 160 CO -0.11 0.37 -0.50 1.88 -2.27 0.00 0.00 179.45 178.82 3kwk h TYR 161 N 0.10 0.00 -0.09 1.91 0.05 -1.17 -3.30 116.97 114.47 3kwk h TYR 161 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3kwk h TYR 161 Cb 0.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.95 3kwk h TYR 161 CO -0.00 0.28 0.00 0.25 -1.05 0.00 0.00 178.16 177.63 3kwk n THR 162 N -3.08 0.22 -3.44 -2.88 -2.24 -0.57 -5.01 114.28 97.29 3kwk n THR 162 Ca 0.01 -0.61 -0.20 0.00 -2.27 0.00 0.00 64.05 60.98 3kwk n THR 162 Cb 0.65 1.06 0.07 0.00 -2.10 0.00 0.00 70.33 70.02 3kwk n THR 162 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3kwk n HIS 163 N 0.58 -2.45 -2.32 4.78 8.25 0.20 -4.93 115.22 119.32 3kwk n HIS 163 Ca 0.07 0.90 -0.42 0.00 -0.26 0.00 0.00 57.72 58.01 3kwk n HIS 163 Cb 0.30 -4.67 -0.03 0.00 1.12 0.00 0.00 29.99 26.72 3kwk n HIS 163 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3kwk s LEU 164 N -6.49 4.34 0.73 2.41 1.43 -1.06 -5.00 118.68 115.03 3kwk s LEU 164 Ca 0.40 2.07 -0.16 0.00 -1.03 0.00 0.00 54.13 55.41 3kwk s LEU 164 Cb -0.18 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.46 3kwk s LEU 164 CO 0.66 -0.60 0.77 -2.65 0.23 0.00 0.00 176.35 174.76 3kwk n PRO 165 N 4.56 0.39 0.29 1.29 -0.02 -1.26 -4.88 135.00 135.36 3kwk n PRO 165 Ca 0.11 0.18 0.16 0.00 -2.02 0.00 0.00 63.50 61.93 3kwk n PRO 165 Cb 0.45 -2.04 0.84 0.00 -0.02 0.00 0.00 33.50 32.73 3kwk n PRO 165 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kwk h GLU 166 N -0.35 0.00 0.00 -0.52 4.39 -2.02 -1.62 114.58 114.46 3kwk h GLU 166 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 3kwk h GLU 166 Cb 1.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 3kwk h GLU 166 CO 0.45 0.06 0.00 -2.95 -1.16 0.00 0.00 179.01 175.41 3kwk h ASN 167 N 0.00 0.00 -3.59 1.42 -1.07 -1.95 -3.43 115.58 106.96 3kwk h ASN 167 Ca -0.00 0.00 -0.65 0.00 0.07 0.00 0.00 56.30 55.72 3kwk h ASN 167 Cb 0.30 0.00 -0.15 0.00 -2.07 0.00 0.00 38.32 36.40 3kwk h ASN 167 CO 0.01 0.00 0.15 -0.63 0.07 0.00 0.00 177.43 177.03 3kwk s ILE 168 N -3.23 4.82 -0.15 6.14 -1.09 -0.61 -1.04 121.20 126.04 3kwk s ILE 168 Ca 0.07 0.25 -0.04 0.00 -2.23 0.00 0.00 60.65 58.70 3kwk s ILE 168 Cb 0.08 -4.19 -0.03 0.00 -1.58 0.00 0.00 42.46 36.74 3kwk s ILE 168 CO 0.61 -0.55 -0.00 -0.76 -1.23 0.00 0.00 174.94 173.01 3kwk s LEU 169 N 2.84 3.45 -0.17 2.97 1.43 -0.09 -4.72 118.68 124.39 3kwk s LEU 169 Ca 0.24 -0.03 -0.25 0.00 -1.03 0.00 0.00 54.13 53.06 3kwk s LEU 169 Cb -0.14 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 3kwk s LEU 169 CO 0.18 0.21 0.81 -2.16 0.23 0.00 0.00 176.35 175.62 3kwk s PRO 170 N 0.16 4.29 -0.11 1.29 0.04 -1.26 -0.57 135.00 138.84 3kwk s PRO 170 Ca 0.01 0.97 -0.23 0.00 0.04 0.00 0.00 61.00 61.79 3kwk s PRO 170 Cb -0.13 -3.58 -0.19 0.00 0.04 0.00 0.00 34.50 30.64 3kwk s PRO 170 CO 0.02 -0.32 0.72 1.25 0.04 0.00 0.00 177.00 178.71 3kwk h LEU 171 N 8.32 -0.03 -7.10 -3.56 5.85 -0.87 -2.45 115.31 115.47 3kwk h LEU 171 Ca -0.29 -0.67 -0.04 0.00 0.84 0.00 0.00 57.88 57.72 3kwk h LEU 171 Cb 1.13 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 42.03 3kwk h LEU 171 CO 0.83 0.75 0.13 0.00 -0.34 0.00 0.00 178.44 179.81 3kwk s VAL 173 N -3.15 3.57 -0.60 0.00 1.01 -0.13 -0.97 120.40 120.14 3kwk s VAL 173 Ca -0.02 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 3kwk s VAL 173 Cb -0.00 -2.62 0.15 0.00 0.00 0.00 0.00 36.38 33.91 3kwk s VAL 173 CO -0.07 0.42 0.41 -0.63 0.00 0.00 0.00 175.10 175.23 3kwk s ILE 174 N 1.29 3.64 0.61 2.22 1.01 0.44 -1.48 121.20 128.92 3kwk s ILE 174 Ca 0.04 -2.87 -0.19 0.00 0.00 0.00 0.00 60.65 57.63 3kwk s ILE 174 Cb -0.14 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 3kwk s ILE 174 CO -0.01 -0.85 1.25 -2.84 0.00 0.00 0.00 174.94 172.49 3kwk s PRO 175 N 0.06 2.84 0.18 2.79 0.02 -1.24 -1.18 135.00 138.47 3kwk s PRO 175 Ca 0.16 1.95 -0.15 0.00 0.02 0.00 0.00 61.00 62.98 3kwk s PRO 175 Cb -0.21 -1.93 0.02 0.00 0.02 0.00 0.00 34.50 32.40 3kwk s PRO 175 CO -0.03 -1.34 0.45 -0.59 -0.33 0.00 0.00 177.00 175.15 3kwk s PHE 176 N -1.49 0.02 -1.03 6.54 -0.71 -1.06 -2.72 117.98 117.53 3kwk s PHE 176 Ca 0.79 -0.37 0.00 0.00 -1.04 0.00 0.00 56.93 56.31 3kwk s PHE 176 Cb -0.34 0.26 0.00 0.00 -1.21 0.00 0.00 43.02 41.73 3kwk s PHE 176 CO 0.37 -0.85 0.00 0.41 -1.34 0.00 0.00 175.22 173.81 3kwk n GLY 177 N -0.30 -1.38 3.72 1.99 0.00 -0.59 -4.30 105.19 104.32 3kwk n GLY 177 Ca -0.10 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 3kwk n GLY 177 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kwk s TYR 178 N -2.45 3.49 0.40 1.61 2.02 -1.26 0.14 117.35 121.31 3kwk s TYR 178 Ca 0.00 1.40 -0.27 0.00 -0.37 0.00 0.00 57.07 57.84 3kwk s TYR 178 Cb 0.00 -3.35 -0.10 0.00 -0.40 0.00 0.00 41.96 38.10 3kwk s TYR 178 CO 0.00 -0.98 1.36 -2.30 -1.57 0.00 0.00 175.55 172.05 3kwk n PRO 179 N 3.75 2.21 0.08 -1.71 -0.02 -1.26 -0.65 135.00 137.40 3kwk n PRO 179 Ca 0.08 0.78 -0.11 0.00 -2.02 0.00 0.00 63.50 62.23 3kwk n PRO 179 Cb 0.47 -2.48 -0.12 0.00 -0.02 0.00 0.00 33.50 31.35 3kwk n PRO 179 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kwk h ALA 180 N 2.43 0.27 -2.56 3.55 0.00 -1.62 -3.38 119.26 117.95 3kwk h ALA 180 Ca -0.49 -0.88 -0.43 0.00 0.00 0.00 0.00 54.91 53.11 3kwk h ALA 180 Cb 1.27 -0.09 -0.37 0.00 0.00 0.00 0.00 17.79 18.60 3kwk h ALA 180 CO 0.62 1.11 -0.71 0.99 0.00 0.00 0.00 179.25 181.26 3kwk s THR 181 N -2.74 -0.21 0.27 0.00 2.01 -1.26 -4.91 115.64 108.79 3kwk s THR 181 Ca -0.01 -0.55 -0.30 0.00 0.31 0.00 0.00 61.69 61.14 3kwk s THR 181 Cb 0.09 -0.92 -0.14 0.00 0.01 0.00 0.00 72.50 71.55 3kwk s THR 181 CO 0.84 -0.55 1.25 1.17 -0.69 0.00 0.00 174.62 176.65 3kwk n LYS 182 N 5.28 1.78 -3.88 4.92 3.00 -1.26 -5.01 118.16 123.00 3kwk n LYS 182 Ca -0.05 0.63 -0.12 0.00 -0.00 0.00 0.00 58.31 58.78 3kwk n LYS 182 Cb 0.45 -2.18 -0.13 0.00 0.00 0.00 0.00 35.03 33.17 3kwk n LYS 182 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3kwk s GLU 183 N -1.07 0.09 0.44 1.64 2.12 -1.26 -5.15 118.70 115.52 3kwk s GLU 183 Ca 0.63 -0.06 -0.24 0.00 0.36 0.00 0.00 54.97 55.65 3kwk s GLU 183 Cb -0.67 0.04 -0.09 0.00 0.26 0.00 0.00 34.13 33.67 3kwk s GLU 183 CO 0.56 -0.01 1.16 1.04 -0.54 0.00 0.00 175.26 177.46 3kwk n GLN 184 N 2.80 1.63 -1.31 4.30 6.02 -1.26 -4.99 117.38 124.57 3kwk n GLN 184 Ca -0.14 0.59 -0.31 0.00 -0.01 0.00 0.00 57.00 57.13 3kwk n GLN 184 Cb 0.59 -2.25 0.10 0.00 1.02 0.00 0.00 30.24 29.69 3kwk n GLN 184 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3kwk s PRO 185 N -2.21 2.14 0.26 -1.09 0.04 -1.26 -5.00 135.00 127.88 3kwk s PRO 185 Ca 0.63 1.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 3kwk s PRO 185 Cb -0.52 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.04 3kwk s PRO 185 CO 0.56 -1.69 1.01 0.15 0.04 0.00 0.00 177.00 177.08 3kwk s LYS 186 N -4.95 4.74 -0.58 4.56 1.02 -1.26 -5.02 119.74 118.25 3kwk s LYS 186 Ca 0.61 1.63 -0.13 0.00 0.02 0.00 0.00 55.97 58.10 3kwk s LYS 186 Cb -0.17 -3.22 0.15 0.00 -0.52 0.00 0.00 37.83 34.07 3kwk s LYS 186 CO 0.56 0.37 0.51 -0.65 -0.92 0.00 0.00 175.35 175.21 3kwk s GLN 187 N -1.34 2.94 0.00 1.68 -0.21 -1.26 -4.92 119.66 116.55 3kwk s GLN 187 Ca 0.43 -1.93 0.24 0.00 0.02 0.00 0.00 55.36 54.12 3kwk s GLN 187 Cb -0.28 -4.19 0.24 0.00 1.00 0.00 0.00 33.01 29.78 3kwk s GLN 187 CO 0.36 -1.27 1.29 1.63 -2.12 0.00 0.00 175.29 175.17 3kwk n LYS 188 N 4.79 2.31 -1.68 2.91 5.02 -1.26 -4.97 118.16 125.28 3kwk n LYS 188 Ca -0.05 -1.91 -0.45 0.00 -2.02 0.00 0.00 58.31 53.88 3kwk n LYS 188 Cb 0.41 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 3kwk n LYS 188 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3kwk n TYR 189 N 1.31 2.31 -3.43 2.13 9.36 -1.26 -4.93 117.16 122.64 3kwk n TYR 189 Ca 0.14 0.32 -0.18 0.00 3.32 0.00 0.00 57.90 61.51 3kwk n TYR 189 Cb 0.59 -2.52 -0.11 0.00 -0.63 0.00 0.00 39.34 36.67 3kwk n TYR 189 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3kwk s ASP 190 N 0.63 1.61 0.58 2.98 -1.08 -1.26 -5.02 116.67 115.11 3kwk s ASP 190 Ca 0.73 -0.57 0.28 0.00 -0.52 0.00 0.00 52.55 52.46 3kwk s ASP 190 Cb -0.64 0.46 1.55 0.00 -1.46 0.00 0.00 42.92 42.83 3kwk s ASP 190 CO 0.43 -0.37 2.04 1.05 0.52 0.00 0.00 175.17 178.84 3kwk h GLU 191 N 8.28 0.00 0.00 4.34 4.11 -1.97 -0.71 114.58 128.64 3kwk h GLU 191 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.28 3kwk h GLU 191 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3kwk h GLU 191 CO 0.32 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.03 3kwk n LYS 192 N -3.92 0.16 0.00 1.06 5.02 -1.26 -2.02 118.16 117.20 3kwk n LYS 192 Ca 0.04 0.44 0.14 0.00 -2.02 0.00 0.00 58.31 56.91 3kwk n LYS 192 Cb 0.44 -1.83 0.54 0.00 -0.02 0.00 0.00 35.03 34.16 3kwk n LYS 192 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kwk n LYS 193 N -2.13 1.02 -3.93 1.97 4.76 -0.27 -4.82 118.16 114.76 3kwk n LYS 193 Ca 0.02 -0.49 -0.35 0.00 -2.87 0.00 0.00 58.31 54.62 3kwk n LYS 193 Cb 0.18 -1.49 -0.11 0.00 -1.84 0.00 0.00 35.03 31.78 3kwk n LYS 193 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3kwk s ILE 194 N -2.32 4.69 -0.07 -0.18 1.01 -0.86 -5.09 121.20 118.39 3kwk s ILE 194 Ca 0.31 -0.06 0.04 0.00 0.00 0.00 0.00 60.65 60.94 3kwk s ILE 194 Cb 0.20 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.53 3kwk s ILE 194 CO 0.44 0.42 -0.18 -1.00 0.00 0.00 0.00 174.94 174.62 3kwk s HIS 195 N 0.77 1.92 -0.35 3.97 3.76 -1.26 -5.05 115.29 119.05 3kwk s HIS 195 Ca 0.04 -0.69 -0.13 0.00 -0.15 0.00 0.00 55.06 54.13 3kwk s HIS 195 Cb -0.13 -1.32 -0.01 0.00 1.11 0.00 0.00 32.58 32.23 3kwk s HIS 195 CO 0.02 -0.28 0.25 0.71 -0.85 0.00 0.00 174.74 174.59 3kwk s TYR 196 N 0.34 3.23 0.00 1.40 2.02 -1.26 -4.77 117.35 118.31 3kwk s TYR 196 Ca -0.12 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.34 3kwk s TYR 196 Cb -0.15 -2.50 0.00 0.00 -0.40 0.00 0.00 41.96 38.91 3kwk s TYR 196 CO 0.05 -0.38 0.00 0.09 -1.57 0.00 0.00 175.55 173.73 3kwk n ASN 197 N 5.13 0.00 -3.88 2.29 3.02 -1.26 -4.77 115.26 115.78 3kwk n ASN 197 Ca -0.12 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.33 3kwk n ASN 197 Cb 0.49 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.58 3kwk n ASN 197 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kwk s GLN 198 N 0.00 0.69 0.00 3.52 -2.07 -1.26 -5.35 119.66 115.19 3kwk s GLN 198 Ca 0.00 -0.77 0.00 0.00 -1.82 0.00 0.00 55.36 52.77 3kwk s GLN 198 Cb 0.00 0.28 0.00 0.00 -1.09 0.00 0.00 33.01 32.20 3kwk s GLN 198 CO 0.00 -0.20 0.42 0.98 -1.32 0.00 0.00 175.29 175.18