#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kwc h LYS 2 N 0.00 -0.19 -4.35 0.03 6.56 -2.07 -3.30 116.57 113.25 2kwc h LYS 2 Ca 0.00 0.01 -0.75 0.00 -1.06 0.00 0.00 60.65 58.86 2kwc h LYS 2 Cb 0.00 0.04 -0.22 0.00 -0.57 0.00 0.00 32.23 31.48 2kwc h LYS 2 CO 0.00 -0.12 0.40 -1.54 -2.06 0.00 0.00 179.45 176.12 2kwc s SER 3 N -2.90 6.68 0.46 0.86 1.04 -1.26 -4.85 113.70 113.74 2kwc s SER 3 Ca -0.04 -2.38 0.16 0.00 0.48 0.00 0.00 55.95 54.17 2kwc s SER 3 Cb 0.01 -2.29 1.08 0.00 0.10 0.00 0.00 66.02 64.92 2kwc s SER 3 CO 0.14 -0.79 2.02 0.71 0.98 0.00 0.00 173.24 176.30 2kwc h THR 4 N 5.26 1.07 -1.68 2.02 1.35 -2.00 -2.77 112.91 116.17 2kwc h THR 4 Ca 0.11 -0.53 0.50 0.00 -0.55 0.00 0.00 66.41 65.94 2kwc h THR 4 Cb 1.04 1.29 -0.08 0.00 -1.73 0.00 0.00 68.15 68.67 2kwc h THR 4 CO 0.91 0.15 1.19 0.33 -0.25 0.00 0.00 175.52 177.86 2kwc n PHE 5 N -4.30 0.09 0.07 4.73 -0.00 -1.26 0.19 117.46 116.98 2kwc n PHE 5 Ca -0.02 0.09 -0.11 0.00 -0.00 0.00 0.00 57.45 57.40 2kwc n PHE 5 Cb 0.22 -0.53 -0.08 0.00 -0.00 0.00 0.00 39.48 39.10 2kwc n PHE 5 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 2kwc h LYS 6 N 0.00 -0.23 0.00 -4.13 3.11 -1.60 -2.82 116.57 110.90 2kwc h LYS 6 Ca 0.83 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.68 2kwc h LYS 6 Cb 3.23 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 34.51 2kwc h LYS 6 CO -0.07 0.18 -0.05 0.77 -2.81 0.00 0.00 179.45 177.48 2kwc h SER 7 N -0.83 0.00 -0.90 4.20 0.02 0.19 -3.37 113.55 112.85 2kwc h SER 7 Ca -0.02 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.08 2kwc h SER 7 Cb 0.52 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.91 2kwc h SER 7 CO 0.04 0.30 -0.30 1.21 -1.14 0.00 0.00 176.83 176.94 2kwc n GLU 8 N -3.53 -0.15 -4.44 3.45 2.13 0.52 -4.48 120.64 114.13 2kwc n GLU 8 Ca -0.01 1.39 -0.23 0.00 0.66 0.00 0.00 57.16 58.97 2kwc n GLU 8 Cb 0.02 -2.07 -0.10 0.00 0.27 0.00 0.00 31.44 29.56 2kwc n GLU 8 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2kwc s TYR 9 N -5.97 2.19 0.94 4.31 2.02 -1.06 -5.00 117.35 114.77 2kwc s TYR 9 Ca -0.13 -0.37 -0.13 0.00 -0.37 0.00 0.00 57.07 56.07 2kwc s TYR 9 Cb 0.21 -0.97 0.15 0.00 -0.40 0.00 0.00 41.96 40.96 2kwc s TYR 9 CO 0.67 0.64 1.15 -1.25 -1.57 0.00 0.00 175.55 175.19 2kwc s PRO 10 N -3.46 0.92 0.02 -1.71 0.04 -1.26 -3.86 135.00 125.68 2kwc s PRO 10 Ca 0.28 0.20 -0.19 0.00 0.04 0.00 0.00 61.00 61.33 2kwc s PRO 10 Cb -0.05 -1.82 -0.20 0.00 0.04 0.00 0.00 34.50 32.47 2kwc s PRO 10 CO 0.13 -2.33 1.17 0.35 0.04 0.00 0.00 177.00 176.36 2kwc h PHE 11 N -1.59 0.61 0.00 0.56 3.04 -1.85 -3.05 116.94 114.66 2kwc h PHE 11 Ca -0.50 -0.29 0.00 0.00 3.98 0.00 0.00 57.97 61.16 2kwc h PHE 11 Cb 1.32 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.75 2kwc h PHE 11 CO -0.02 1.07 0.08 0.93 -2.02 0.00 0.00 178.31 178.36 2kwc h GLU 12 N -0.04 0.00 0.27 1.11 5.08 -1.98 -2.67 114.58 116.35 2kwc h GLU 12 Ca -0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2kwc h GLU 12 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2kwc h GLU 12 CO 0.10 0.00 -0.13 -0.22 -1.00 0.00 0.00 179.01 177.76 2kwc h LYS 13 N 0.00 -0.35 -0.84 2.33 1.63 -1.91 -0.20 116.57 117.22 2kwc h LYS 13 Ca 0.00 0.02 0.24 0.00 -0.85 0.00 0.00 60.65 60.07 2kwc h LYS 13 Cb 0.16 0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.84 2kwc h LYS 13 CO 0.00 -0.23 0.67 0.07 -3.45 0.00 0.00 179.45 176.50 2kwc h ARG 14 N -0.37 0.00 -0.49 1.90 0.11 -1.61 0.79 114.38 114.71 2kwc h ARG 14 Ca -0.04 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.93 2kwc h ARG 14 Cb 0.28 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.34 2kwc h ARG 14 CO 0.06 0.00 -0.12 -0.22 0.10 0.00 0.00 179.97 179.79 2kwc h LYS 15 N 0.00 0.95 0.37 0.08 3.64 -1.30 -2.21 116.57 118.10 2kwc h LYS 15 Ca 0.40 -0.37 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2kwc h LYS 15 Cb 1.73 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.50 2kwc h LYS 15 CO -0.00 1.03 -0.18 0.00 -2.27 0.00 0.00 179.45 178.03 2kwc h ALA 16 N 0.89 -0.49 -0.95 5.00 0.00 0.23 -2.99 119.26 120.95 2kwc h ALA 16 Ca 0.12 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.01 2kwc h ALA 16 Cb 0.69 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.53 2kwc h ALA 16 CO 0.05 -0.49 -0.43 -1.91 0.00 0.00 0.00 179.25 176.47 2kwc n GLU 17 N -5.11 -0.29 -0.30 0.00 4.07 0.08 0.18 120.64 119.28 2kwc n GLU 17 Ca -0.07 1.45 0.10 0.00 -0.06 0.00 0.00 57.16 58.58 2kwc n GLU 17 Cb 0.24 -2.15 0.26 0.00 -0.06 0.00 0.00 31.44 29.72 2kwc n GLU 17 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2kwc h SER 18 N 0.00 0.42 0.20 4.31 4.64 -1.47 0.98 113.55 122.63 2kwc h SER 18 Ca 0.27 0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.69 2kwc h SER 18 Cb 0.51 0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2kwc h SER 18 CO -0.93 0.12 -0.10 -0.33 -0.87 0.00 0.00 176.83 174.72 2kwc h GLU 19 N 0.51 0.00 0.02 4.77 4.39 0.21 -1.28 114.58 123.20 2kwc h GLU 19 Ca 0.50 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.20 2kwc h GLU 19 Cb 0.83 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2kwc h GLU 19 CO -0.44 0.10 -0.01 0.00 -1.16 0.00 0.00 179.01 177.50 2kwc h ARG 20 N 0.00 -0.02 0.00 2.33 3.08 0.27 -2.45 114.38 117.58 2kwc h ARG 20 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2kwc h ARG 20 Cb 0.23 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2kwc h ARG 20 CO 0.01 0.59 0.15 0.82 -1.07 0.00 0.00 179.97 180.47 2kwc h ILE 21 N -0.97 0.00 0.21 2.04 2.04 -0.54 0.26 117.51 120.55 2kwc h ILE 21 Ca -0.00 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.51 2kwc h ILE 21 Cb 0.63 0.72 0.02 0.00 -0.74 0.00 0.00 36.82 37.45 2kwc h ILE 21 CO 0.00 0.00 -1.70 0.00 0.00 0.00 0.00 178.15 176.46 2kwc h ALA 22 N 1.69 0.08 -0.52 1.87 0.00 -1.25 0.43 119.26 121.56 2kwc h ALA 22 Ca 0.00 -1.08 0.02 0.00 0.00 0.00 0.00 54.91 53.86 2kwc h ALA 22 Cb 0.29 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2kwc h ALA 22 CO 0.00 0.95 0.35 0.22 0.00 0.00 0.00 179.25 180.76 2kwc h ASP 23 N 0.12 0.54 0.00 0.00 -0.00 -0.01 0.55 116.42 117.62 2kwc h ASP 23 Ca -0.33 -0.01 -0.23 0.00 -0.00 0.00 0.00 57.03 56.46 2kwc h ASP 23 Cb 2.12 -0.13 -0.03 0.00 -0.00 0.00 0.00 39.33 41.29 2kwc h ASP 23 CO 0.20 0.38 -1.34 -1.14 -0.00 0.00 0.00 179.24 177.34 2kwc n ARG 24 N -4.47 0.55 -3.43 0.28 0.00 -0.75 -4.69 116.66 104.16 2kwc n ARG 24 Ca 0.06 0.52 -0.26 0.00 -0.00 0.00 0.00 57.85 58.16 2kwc n ARG 24 Cb 0.11 -1.70 -0.08 0.00 0.00 0.00 0.00 32.46 30.79 2kwc n ARG 24 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2kwc n PHE 25 N -4.43 2.41 1.09 -0.14 3.72 0.15 -4.87 117.46 115.39 2kwc n PHE 25 Ca -0.32 -3.99 0.11 0.00 -0.05 0.00 0.00 57.45 53.20 2kwc n PHE 25 Cb 0.66 -0.47 0.58 0.00 -0.94 0.00 0.00 39.48 39.30 2kwc n PHE 25 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2kwc n PRO 26 N 1.24 0.35 0.00 -1.08 -0.04 0.19 -1.93 135.00 133.73 2kwc n PRO 26 Ca 0.27 0.07 0.12 0.00 -0.04 0.00 0.00 63.50 63.91 2kwc n PRO 26 Cb 0.43 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.61 2kwc n PRO 26 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kwc n ASN 27 N -1.27 1.32 -4.24 3.54 5.03 -1.26 -4.92 115.26 113.47 2kwc n ASN 27 Ca 0.11 -1.06 -0.17 0.00 0.87 0.00 0.00 54.58 54.33 2kwc n ASN 27 Cb 0.17 0.30 0.07 0.00 -1.02 0.00 0.00 39.78 39.31 2kwc n ASN 27 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kwc n ARG 28 N -0.54 0.38 -3.39 3.52 3.00 -0.81 -2.66 116.66 116.14 2kwc n ARG 28 Ca 0.10 -2.38 -0.20 0.00 -0.01 0.00 0.00 57.85 55.36 2kwc n ARG 28 Cb 0.39 -0.35 -0.09 0.00 0.00 0.00 0.00 32.46 32.40 2kwc n ARG 28 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2kwc s ILE 29 N -2.17 -0.23 -0.63 0.55 1.01 0.49 -4.74 121.20 115.48 2kwc s ILE 29 Ca 0.51 -1.08 -0.27 0.00 0.00 0.00 0.00 60.65 59.81 2kwc s ILE 29 Cb -0.04 -0.81 0.01 0.00 0.01 0.00 0.00 42.46 41.63 2kwc s ILE 29 CO 0.33 -0.66 1.54 -2.16 0.00 0.00 0.00 174.94 173.99 2kwc s PRO 30 N 1.48 3.02 -0.11 2.79 0.04 -1.26 -2.48 135.00 138.48 2kwc s PRO 30 Ca 0.16 0.30 -0.04 0.00 0.04 0.00 0.00 61.00 61.46 2kwc s PRO 30 Cb -0.17 -4.24 -0.04 0.00 0.04 0.00 0.00 34.50 30.09 2kwc s PRO 30 CO -0.07 -2.30 0.06 0.08 0.04 0.00 0.00 177.00 174.82 2kwc s VAL 31 N 7.07 4.81 -0.71 -0.36 1.01 0.78 -3.82 120.40 129.18 2kwc s VAL 31 Ca 0.52 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 2kwc s VAL 31 Cb -0.11 -3.06 0.19 0.00 0.00 0.00 0.00 36.38 33.39 2kwc s VAL 31 CO 0.20 0.60 0.63 -0.63 0.00 0.00 0.00 175.10 175.90 2kwc s ILE 32 N -0.86 5.06 -0.10 2.22 1.09 -0.26 -1.20 121.20 127.15 2kwc s ILE 32 Ca 0.13 -2.36 -0.28 0.00 -1.10 0.00 0.00 60.65 57.04 2kwc s ILE 32 Cb -0.12 -4.18 -0.02 0.00 -1.06 0.00 0.00 42.46 37.08 2kwc s ILE 32 CO 0.03 -0.95 0.95 0.00 -0.10 0.00 0.00 174.94 174.86 2kwc s GLU 34 N 1.78 2.95 0.62 0.00 2.02 0.13 -4.64 118.70 121.57 2kwc s GLU 34 Ca 0.46 -0.86 -0.18 0.00 0.02 0.00 0.00 54.97 54.41 2kwc s GLU 34 Cb -0.18 -2.67 -0.02 0.00 0.10 0.00 0.00 34.13 31.36 2kwc s GLU 34 CO 0.19 -0.25 1.24 0.21 0.02 0.00 0.00 175.26 176.66 2kwc s LYS 35 N 1.29 2.75 -0.34 1.61 2.36 -1.26 -3.10 119.74 123.06 2kwc s LYS 35 Ca 0.04 1.90 -0.20 0.00 -2.55 0.00 0.00 55.97 55.15 2kwc s LYS 35 Cb -0.14 -1.89 -0.00 0.00 -1.05 0.00 0.00 37.83 34.75 2kwc s LYS 35 CO -0.11 -1.40 0.63 0.00 1.55 0.00 0.00 175.35 176.02 2kwc s ALA 36 N -1.57 3.48 0.19 3.13 0.00 -0.42 -4.85 121.76 121.71 2kwc s ALA 36 Ca 0.79 -0.78 -0.16 0.00 0.00 0.00 0.00 51.96 51.81 2kwc s ALA 36 Cb -0.33 -3.14 0.16 0.00 0.00 0.00 0.00 23.12 19.81 2kwc s ALA 36 CO 0.36 -1.24 1.65 1.05 0.00 0.00 0.00 175.76 177.58 2kwc h GLU 37 N 8.36 -0.01 -1.63 0.00 4.11 -1.92 0.43 114.58 123.93 2kwc h GLU 37 Ca -0.27 0.00 0.49 0.00 0.07 0.00 0.00 59.36 59.66 2kwc h GLU 37 Cb 1.11 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.27 2kwc h GLU 37 CO 0.82 -0.01 1.13 0.87 0.07 0.00 0.00 179.01 181.90 2kwc h LYS 38 N -0.01 0.03 0.00 1.06 1.79 -1.92 -3.39 116.57 114.13 2kwc h LYS 38 Ca 0.24 -0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.37 2kwc h LYS 38 Cb 0.38 -0.01 0.20 0.00 -1.58 0.00 0.00 32.23 31.22 2kwc h LYS 38 CO -0.52 0.02 -0.17 0.45 -1.08 0.00 0.00 179.45 178.15 2kwc n SER 39 N -4.26 -4.09 0.00 0.86 2.88 0.15 -4.97 113.62 104.19 2kwc n SER 39 Ca 0.39 -0.83 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 2kwc n SER 39 Cb 1.70 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 2kwc n SER 39 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2kwc n ASP 40 N -5.52 1.05 -4.82 -3.46 2.03 -1.26 -5.05 116.55 99.52 2kwc n ASP 40 Ca 0.13 -1.34 -0.32 0.00 0.52 0.00 0.00 54.79 53.77 2kwc n ASP 40 Cb 0.57 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.96 2kwc n ASP 40 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2kwc s ILE 41 N -0.34 4.14 -0.12 5.18 -4.36 -1.26 -4.99 121.20 119.44 2kwc s ILE 41 Ca 0.00 1.03 -0.29 0.00 -0.26 0.00 0.00 60.65 61.13 2kwc s ILE 41 Cb 0.00 -3.54 -0.02 0.00 1.25 0.00 0.00 42.46 40.15 2kwc s ILE 41 CO 0.00 -0.58 1.25 -2.16 0.24 0.00 0.00 174.94 173.70 2kwc s PRO 42 N -4.04 4.27 1.20 0.37 0.04 -1.26 -5.01 135.00 130.57 2kwc s PRO 42 Ca 0.62 1.68 -0.16 0.00 0.04 0.00 0.00 61.00 63.18 2kwc s PRO 42 Cb -0.13 -3.70 0.25 0.00 0.04 0.00 0.00 34.50 30.96 2kwc s PRO 42 CO 0.34 -0.62 0.67 -1.91 0.04 0.00 0.00 177.00 175.51 2kwc n GLU 43 N 6.13 -2.54 -3.76 4.56 2.13 -1.26 -4.87 120.64 121.03 2kwc n GLU 43 Ca 0.13 -0.72 -0.22 0.00 0.66 0.00 0.00 57.16 57.00 2kwc n GLU 43 Cb 0.45 -1.98 -0.04 0.00 0.27 0.00 0.00 31.44 30.14 2kwc n GLU 43 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 2kwc s ILE 44 N -2.31 2.45 0.03 6.31 -4.36 -1.26 -4.97 121.20 117.09 2kwc s ILE 44 Ca 0.64 -1.46 -0.27 0.00 -0.26 0.00 0.00 60.65 59.30 2kwc s ILE 44 Cb -0.20 -2.91 -0.16 0.00 1.25 0.00 0.00 42.46 40.43 2kwc s ILE 44 CO 0.64 0.00 1.29 -0.78 0.24 0.00 0.00 174.94 176.34 2kwc h ASP 45 N 1.12 -0.57 -4.97 4.36 -0.00 -1.96 -3.46 116.42 110.93 2kwc h ASP 45 Ca -0.41 -0.06 -0.17 0.00 -0.00 0.00 0.00 57.03 56.38 2kwc h ASP 45 Cb 1.27 0.15 -0.16 0.00 -0.00 0.00 0.00 39.33 40.58 2kwc h ASP 45 CO 0.61 -0.24 -0.69 -0.75 -0.00 0.00 0.00 179.24 178.16 2kwc s LYS 46 N -5.01 0.64 -0.46 0.28 2.47 -1.26 -5.12 119.74 111.29 2kwc s LYS 46 Ca -0.15 -1.16 -0.10 0.00 -1.56 0.00 0.00 55.97 53.01 2kwc s LYS 46 Cb 0.02 0.03 0.11 0.00 -1.46 0.00 0.00 37.83 36.53 2kwc s LYS 46 CO 0.53 -0.06 0.33 1.03 0.16 0.00 0.00 175.35 177.33 2kwc s ARG 47 N -3.45 2.56 -0.28 4.03 3.00 -1.26 -5.01 118.95 118.54 2kwc s ARG 47 Ca 0.05 -1.65 -0.12 0.00 0.00 0.00 0.00 55.73 54.01 2kwc s ARG 47 Cb 0.04 -3.91 0.11 0.00 0.00 0.00 0.00 34.95 31.19 2kwc s ARG 47 CO -0.07 -1.12 0.63 0.21 0.00 0.00 0.00 175.30 174.95 2kwc s LYS 48 N 1.40 0.59 -0.25 3.54 2.20 -1.26 -4.65 119.74 121.31 2kwc s LYS 48 Ca 0.05 1.31 -0.03 0.00 -0.36 0.00 0.00 55.97 56.94 2kwc s LYS 48 Cb -0.25 0.55 0.08 0.00 -1.51 0.00 0.00 37.83 36.70 2kwc s LYS 48 CO 0.01 -0.19 0.09 0.71 -0.36 0.00 0.00 175.35 175.61 2kwc s TYR 49 N 2.40 0.83 -0.67 4.03 1.51 -0.34 -4.97 117.35 120.15 2kwc s TYR 49 Ca -0.07 -0.98 -0.15 0.00 -1.01 0.00 0.00 57.07 54.85 2kwc s TYR 49 Cb -0.10 -1.10 0.17 0.00 -0.11 0.00 0.00 41.96 40.83 2kwc s TYR 49 CO -0.18 -0.72 0.63 -1.17 -1.11 0.00 0.00 175.55 172.99 2kwc s LEU 50 N 1.92 6.40 0.16 -1.29 2.96 -1.26 -0.15 118.68 127.41 2kwc s LEU 50 Ca 0.05 -2.17 0.07 0.00 -0.22 0.00 0.00 54.13 51.86 2kwc s LEU 50 Cb -0.17 -2.22 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 2kwc s LEU 50 CO -0.21 -0.75 -0.00 0.68 -1.32 0.00 0.00 176.35 174.75 2kwc s VAL 51 N 1.03 3.76 0.99 1.68 -7.23 -1.03 -4.86 120.40 114.72 2kwc s VAL 51 Ca 0.10 -1.35 -0.15 0.00 -1.81 0.00 0.00 61.98 58.78 2kwc s VAL 51 Cb -0.21 -2.87 0.18 0.00 0.56 0.00 0.00 36.38 34.05 2kwc s VAL 51 CO -0.02 -0.06 1.17 -2.16 -0.31 0.00 0.00 175.10 173.72 2kwc s PRO 52 N -2.81 0.51 -0.09 4.82 0.04 -1.26 0.18 135.00 136.39 2kwc s PRO 52 Ca 0.27 0.05 0.07 0.00 0.04 0.00 0.00 61.00 61.43 2kwc s PRO 52 Cb -0.10 -1.79 0.36 0.00 0.04 0.00 0.00 34.50 33.01 2kwc s PRO 52 CO 0.18 -2.58 1.09 0.00 0.04 0.00 0.00 177.00 175.73 2kwc n ALA 53 N -3.98 3.02 -0.06 8.56 0.00 -1.09 -3.10 120.51 123.86 2kwc n ALA 53 Ca 0.10 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2kwc n ALA 53 Cb 0.59 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2kwc n ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2kwc n ASP 54 N 0.31 0.76 -4.92 0.00 9.92 -1.26 -4.61 116.55 116.74 2kwc n ASP 54 Ca 0.12 -0.90 -0.27 0.00 -0.53 0.00 0.00 54.79 53.21 2kwc n ASP 54 Cb 0.61 0.17 -0.03 0.00 -0.64 0.00 0.00 41.12 41.24 2kwc n ASP 54 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2kwc s LEU 55 N -0.34 4.11 0.38 0.64 0.20 -1.18 -5.01 118.68 117.49 2kwc s LEU 55 Ca 0.00 0.53 0.08 0.00 0.69 0.00 0.00 54.13 55.43 2kwc s LEU 55 Cb 0.00 -3.34 -0.06 0.00 -0.43 0.00 0.00 46.19 42.36 2kwc s LEU 55 CO 0.00 -0.17 0.10 0.42 -0.29 0.00 0.00 176.35 176.41 2kwc s THR 56 N -2.07 2.43 0.26 3.68 -4.23 -1.26 -1.81 115.64 112.62 2kwc s THR 56 Ca 0.41 -1.83 -0.02 0.00 -1.18 0.00 0.00 61.69 59.07 2kwc s THR 56 Cb -0.10 -2.93 0.23 0.00 1.34 0.00 0.00 72.50 71.04 2kwc s THR 56 CO 0.31 -0.08 1.73 0.58 -0.54 0.00 0.00 174.62 176.62 2kwc h VAL 57 N 1.61 0.65 -0.85 2.29 2.07 -0.91 -2.03 116.25 119.08 2kwc h VAL 57 Ca -0.43 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.00 2kwc h VAL 57 Cb 1.25 0.12 -0.10 0.00 -1.52 0.00 0.00 31.29 31.04 2kwc h VAL 57 CO 0.70 0.09 -0.50 0.61 0.02 0.00 0.00 177.57 178.49 2kwc n GLY 58 N -1.33 -2.54 0.27 2.17 0.00 0.70 0.74 105.19 105.20 2kwc n GLY 58 Ca 0.16 1.07 0.04 0.00 0.00 0.00 0.00 46.02 47.30 2kwc n GLY 58 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kwc h GLN 59 N 0.00 0.46 -0.51 1.61 4.20 -1.63 -0.87 115.11 118.37 2kwc h GLN 59 Ca 0.14 -0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.92 2kwc h GLN 59 Cb 0.35 -0.10 -0.09 0.00 0.30 0.00 0.00 27.48 27.94 2kwc h GLN 59 CO -0.80 0.31 -0.04 0.35 -0.67 0.00 0.00 178.83 177.98 2kwc h PHE 60 N 0.48 -0.11 0.00 2.96 3.57 0.47 0.86 116.94 125.17 2kwc h PHE 60 Ca 0.40 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.94 2kwc h PHE 60 Cb 0.57 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 2kwc h PHE 60 CO -0.15 -0.15 -0.00 0.28 -2.23 0.00 0.00 178.31 176.05 2kwc h VAL 61 N 0.08 0.19 0.12 1.41 2.07 0.33 -0.30 116.25 120.16 2kwc h VAL 61 Ca 0.26 -0.01 -0.30 0.00 0.82 0.00 0.00 66.70 67.47 2kwc h VAL 61 Cb 0.40 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2kwc h VAL 61 CO -0.46 0.00 -1.43 0.22 0.02 0.00 0.00 177.57 175.92 2kwc h TYR 62 N 0.00 0.48 0.78 1.57 5.03 0.10 -3.10 116.97 121.83 2kwc h TYR 62 Ca -0.00 -0.35 -0.04 0.00 2.58 0.00 0.00 58.73 60.92 2kwc h TYR 62 Cb 0.01 -0.02 0.01 0.00 1.55 0.00 0.00 36.73 38.28 2kwc h TYR 62 CO 0.00 1.35 -0.37 0.28 -1.32 0.00 0.00 178.16 178.10 2kwc h VAL 63 N 0.07 0.22 -0.24 1.81 2.07 0.96 -2.62 116.25 118.52 2kwc h VAL 63 Ca -0.21 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.33 2kwc h VAL 63 Cb 2.01 0.23 -0.07 0.00 -1.52 0.00 0.00 31.29 31.93 2kwc h VAL 63 CO 0.18 0.00 -0.35 0.40 0.02 0.00 0.00 177.57 177.82 2kwc h ILE 64 N -1.08 0.22 -1.58 4.57 5.03 -1.59 0.43 117.51 123.52 2kwc h ILE 64 Ca -0.11 0.00 0.48 0.00 -0.12 0.00 0.00 64.86 65.11 2kwc h ILE 64 Cb 0.81 0.22 -0.10 0.00 -3.03 0.00 0.00 36.82 34.72 2kwc h ILE 64 CO 0.18 0.00 1.09 -0.09 -0.68 0.00 0.00 178.15 178.64 2kwc h ARG 65 N -0.37 0.04 0.16 2.37 2.43 -1.45 1.60 114.38 119.16 2kwc h ARG 65 Ca 0.12 -0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.05 2kwc h ARG 65 Cb 0.56 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 30.13 2kwc h ARG 65 CO -0.44 0.02 -1.06 0.87 -1.51 0.00 0.00 179.97 177.85 2kwc h LYS 66 N 0.04 0.34 0.00 0.20 1.79 0.11 1.43 116.57 120.48 2kwc h LYS 66 Ca 0.84 -0.58 -0.00 0.00 -2.18 0.00 0.00 60.65 58.73 2kwc h LYS 66 Cb 3.04 0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 33.90 2kwc h LYS 66 CO -0.20 1.28 -0.01 0.00 -1.08 0.00 0.00 179.45 179.44 2kwc h ARG 67 N -0.25 0.00 -0.00 3.15 -0.00 0.43 -1.04 114.38 116.66 2kwc h ARG 67 Ca -0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.28 2kwc h ARG 67 Cb 1.77 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.74 2kwc h ARG 67 CO 0.16 0.01 -0.14 0.44 0.00 0.00 0.00 179.97 180.43 2kwc n ILE 68 N -3.99 0.00 -4.26 2.04 -5.35 0.17 -4.87 119.36 103.10 2kwc n ILE 68 Ca -0.03 -0.43 -0.33 0.00 -0.27 0.00 0.00 62.75 61.69 2kwc n ILE 68 Cb 0.09 1.08 -0.08 0.00 -1.74 0.00 0.00 39.64 39.00 2kwc n ILE 68 CO 0.00 0.00 0.00 1.15 -1.76 0.00 0.00 176.55 175.94 2kwc n MET 69 N -0.31 -1.00 -2.19 6.28 0.00 0.47 -4.88 117.12 115.49 2kwc n MET 69 Ca 0.03 0.11 -0.33 0.00 0.00 0.00 0.00 57.70 57.51 2kwc n MET 69 Cb 0.15 -3.49 -0.01 0.00 0.00 0.00 0.00 33.22 29.88 2kwc n MET 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2kwc s LEU 70 N -7.37 3.57 0.91 3.17 1.02 -0.10 -4.99 118.68 114.88 2kwc s LEU 70 Ca 0.08 1.76 -0.12 0.00 0.02 0.00 0.00 54.13 55.86 2kwc s LEU 70 Cb -0.04 -4.53 0.14 0.00 0.02 0.00 0.00 46.19 41.77 2kwc s LEU 70 CO 0.99 -0.96 1.14 -2.16 0.02 0.00 0.00 176.35 175.37 2kwc s PRO 71 N -3.99 1.18 0.00 1.29 0.04 -1.26 -4.92 135.00 127.33 2kwc s PRO 71 Ca 0.63 0.30 0.24 0.00 0.04 0.00 0.00 61.00 62.20 2kwc s PRO 71 Cb -0.14 -1.84 1.42 0.00 0.04 0.00 0.00 34.50 33.98 2kwc s PRO 71 CO 0.34 -2.18 1.79 -0.35 0.04 0.00 0.00 177.00 176.64 2kwc n PRO 72 N -3.75 0.75 -0.07 0.56 -0.04 -1.26 -2.48 135.00 128.71 2kwc n PRO 72 Ca 0.07 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.43 2kwc n PRO 72 Cb 0.59 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.40 2kwc n PRO 72 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kwc n GLU 73 N -1.00 0.66 -0.80 0.54 1.02 -1.26 -4.96 120.64 114.85 2kwc n GLU 73 Ca 0.18 0.13 -0.29 0.00 -0.02 0.00 0.00 57.16 57.16 2kwc n GLU 73 Cb 0.08 -1.64 0.21 0.00 -0.02 0.00 0.00 31.44 30.07 2kwc n GLU 73 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2kwc s LYS 74 N -2.54 -0.20 -0.22 3.49 -0.14 -1.03 -5.04 119.74 114.06 2kwc s LYS 74 Ca -0.08 0.80 -0.04 0.00 -1.36 0.00 0.00 55.97 55.29 2kwc s LYS 74 Cb 0.07 -1.64 0.09 0.00 -1.68 0.00 0.00 37.83 34.67 2kwc s LYS 74 CO 0.82 -3.23 0.17 0.00 -0.76 0.00 0.00 175.35 172.35 2kwc s ALA 75 N -2.66 0.10 0.08 5.17 0.00 -1.26 -4.96 121.76 118.22 2kwc s ALA 75 Ca 0.67 -0.22 0.05 0.00 0.00 0.00 0.00 51.96 52.46 2kwc s ALA 75 Cb -0.22 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 2kwc s ALA 75 CO 0.61 -1.32 -0.03 -1.50 0.00 0.00 0.00 175.76 173.52 2kwc s ILE 76 N 2.23 3.82 -0.03 0.00 2.07 -1.26 -3.63 121.20 124.40 2kwc s ILE 76 Ca 0.06 -1.02 -0.03 0.00 -1.41 0.00 0.00 60.65 58.24 2kwc s ILE 76 Cb -0.16 -2.79 0.01 0.00 0.13 0.00 0.00 42.46 39.65 2kwc s ILE 76 CO -0.17 0.16 0.09 -0.36 -1.91 0.00 0.00 174.94 172.74 2kwc s PHE 77 N -1.25 -0.06 0.23 3.50 0.08 0.13 -4.96 117.98 115.65 2kwc s PHE 77 Ca 0.24 0.14 0.01 0.00 0.12 0.00 0.00 56.93 57.44 2kwc s PHE 77 Cb -0.11 0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.31 2kwc s PHE 77 CO 0.16 -0.09 0.39 0.42 -0.10 0.00 0.00 175.22 176.00 2kwc s ILE 78 N -0.24 5.22 -0.02 0.64 -1.09 -1.26 -0.77 121.20 123.67 2kwc s ILE 78 Ca -0.03 -0.57 -0.08 0.00 -2.23 0.00 0.00 60.65 57.74 2kwc s ILE 78 Cb -0.02 -3.78 0.01 0.00 -1.58 0.00 0.00 42.46 37.08 2kwc s ILE 78 CO 0.00 -0.26 0.17 -0.36 -1.23 0.00 0.00 174.94 173.26 2kwc s PHE 79 N -1.95 -0.05 -0.03 3.97 0.40 0.44 -4.36 117.98 116.39 2kwc s PHE 79 Ca 0.37 0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.80 2kwc s PHE 79 Cb -0.10 0.00 0.03 0.00 0.51 0.00 0.00 43.02 43.45 2kwc s PHE 79 CO 0.30 -0.24 -0.01 0.14 0.70 0.00 0.00 175.22 176.12 2kwc s VAL 80 N -0.92 0.23 -1.48 -0.44 -7.23 -0.79 -1.05 120.40 108.71 2kwc s VAL 80 Ca -0.10 0.06 -0.12 0.00 -1.81 0.00 0.00 61.98 60.01 2kwc s VAL 80 Cb -0.05 -0.32 0.07 0.00 0.56 0.00 0.00 36.38 36.63 2kwc s VAL 80 CO 0.01 0.16 1.02 0.59 -0.31 0.00 0.00 175.10 176.57 2kwc n ASN 81 N 4.14 -4.96 -3.01 4.85 3.02 -1.26 -0.43 115.26 117.60 2kwc n ASN 81 Ca -0.26 -0.73 -0.20 0.00 -0.03 0.00 0.00 54.58 53.36 2kwc n ASN 81 Cb 0.50 -4.15 0.06 0.00 -0.61 0.00 0.00 39.78 35.58 2kwc n ASN 81 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2kwc n ASP 82 N -2.89 -5.66 -2.22 6.41 8.00 -1.26 -4.99 116.55 113.94 2kwc n ASP 82 Ca 0.02 -0.41 -0.09 0.00 0.71 0.00 0.00 54.79 55.01 2kwc n ASP 82 Cb 0.54 -4.31 -0.03 0.00 -0.02 0.00 0.00 41.12 37.30 2kwc n ASP 82 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2kwc n THR 83 N -4.57 0.00 -3.50 -3.53 5.66 0.43 -4.92 114.28 103.86 2kwc n THR 83 Ca -0.01 -0.93 -0.28 0.00 -3.05 0.00 0.00 64.05 59.77 2kwc n THR 83 Cb 0.56 0.38 -0.13 0.00 -1.55 0.00 0.00 70.33 69.59 2kwc n THR 83 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2kwc s LEU 84 N 0.00 0.67 0.67 1.09 0.20 -1.26 -1.88 118.68 118.16 2kwc s LEU 84 Ca 0.11 -1.65 -0.12 0.00 0.69 0.00 0.00 54.13 53.15 2kwc s LEU 84 Cb 0.01 -0.30 -0.00 0.00 -0.43 0.00 0.00 46.19 45.46 2kwc s LEU 84 CO 0.07 -0.38 1.06 -2.16 -0.29 0.00 0.00 176.35 174.65 2kwc s PRO 85 N 1.66 3.06 0.98 0.98 0.04 -1.26 -5.01 135.00 135.44 2kwc s PRO 85 Ca 0.13 1.01 -0.15 0.00 0.04 0.00 0.00 61.00 62.04 2kwc s PRO 85 Cb -0.19 -2.00 0.18 0.00 0.04 0.00 0.00 34.50 32.53 2kwc s PRO 85 CO -0.20 -1.01 1.17 -1.25 0.04 0.00 0.00 177.00 175.76 2kwc s PRO 86 N -4.80 0.53 0.31 0.56 0.04 -1.26 -4.93 135.00 125.46 2kwc s PRO 86 Ca 0.59 0.06 0.23 0.00 0.04 0.00 0.00 61.00 61.92 2kwc s PRO 86 Cb -0.14 -1.79 0.22 0.00 0.04 0.00 0.00 34.50 32.83 2kwc s PRO 86 CO 0.50 -2.56 1.36 0.00 0.04 0.00 0.00 177.00 176.34 2kwc h THR 87 N -1.76 0.00 0.08 1.26 1.03 -1.97 -3.27 112.91 108.29 2kwc h THR 87 Ca -0.48 -0.95 -0.25 0.00 -0.01 0.00 0.00 66.41 64.73 2kwc h THR 87 Cb 1.30 1.71 -0.00 0.00 -1.07 0.00 0.00 68.15 70.09 2kwc h THR 87 CO 0.51 0.00 -1.12 0.00 -0.01 0.00 0.00 175.52 174.89 2kwc h ALA 88 N 2.05 0.22 -1.07 0.00 0.00 -1.95 0.20 119.26 118.71 2kwc h ALA 88 Ca 0.00 -0.84 -0.67 0.00 0.00 0.00 0.00 54.91 53.40 2kwc h ALA 88 Cb 0.97 -0.03 0.11 0.00 0.00 0.00 0.00 17.79 18.84 2kwc h ALA 88 CO 0.00 0.98 -0.47 0.00 0.00 0.00 0.00 179.25 179.76 2kwc n ALA 89 N -2.50 -2.69 -2.46 0.00 0.00 -1.23 -4.61 120.51 107.01 2kwc n ALA 89 Ca -0.06 0.44 -0.38 0.00 0.00 0.00 0.00 53.44 53.43 2kwc n ALA 89 Cb 0.96 -1.64 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 2kwc n ALA 89 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2kwc s LEU 90 N 2.76 4.47 0.16 0.00 2.96 -1.26 -0.90 118.68 126.87 2kwc s LEU 90 Ca 0.64 1.04 0.15 0.00 -0.22 0.00 0.00 54.13 55.74 2kwc s LEU 90 Cb -0.92 -2.70 0.72 0.00 0.50 0.00 0.00 46.19 43.79 2kwc s LEU 90 CO 0.56 0.27 1.46 0.23 -1.32 0.00 0.00 176.35 177.55 2kwc n MET 91 N 2.04 0.09 -0.01 1.98 2.81 -0.75 -0.31 117.12 122.98 2kwc n MET 91 Ca -0.12 0.48 -0.22 0.00 -1.81 0.00 0.00 57.70 56.03 2kwc n MET 91 Cb 0.52 -1.73 -0.14 0.00 -0.71 0.00 0.00 33.22 31.16 2kwc n MET 91 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2kwc h SER 92 N 0.00 0.35 0.01 7.83 4.64 -1.82 -2.80 113.55 121.77 2kwc h SER 92 Ca 0.00 -0.85 -0.19 0.00 -0.47 0.00 0.00 61.79 60.27 2kwc h SER 92 Cb 0.13 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2kwc h SER 92 CO 0.00 1.75 -0.69 0.00 -0.87 0.00 0.00 176.83 177.02 2kwc h ALA 93 N -0.05 0.51 0.58 5.18 0.00 -1.75 -0.77 119.26 122.95 2kwc h ALA 93 Ca -0.38 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 53.92 2kwc h ALA 93 Cb 1.86 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.60 2kwc h ALA 93 CO 0.04 0.71 -0.28 0.82 0.00 0.00 0.00 179.25 180.54 2kwc h ILE 94 N 0.44 0.00 -0.20 0.00 1.08 -0.82 -2.86 117.51 115.15 2kwc h ILE 94 Ca -0.03 -0.29 0.06 0.00 -0.39 0.00 0.00 64.86 64.21 2kwc h ILE 94 Cb 1.28 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.02 2kwc h ILE 94 CO 0.13 0.00 0.22 0.22 -0.69 0.00 0.00 178.15 178.03 2kwc h TYR 95 N -1.07 0.00 -0.72 1.37 5.03 -1.58 1.34 116.97 121.34 2kwc h TYR 95 Ca -0.08 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.20 2kwc h TYR 95 Cb 0.59 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.84 2kwc h TYR 95 CO 0.02 0.00 0.32 1.96 -1.32 0.00 0.00 178.16 179.14 2kwc h GLN 96 N 0.00 1.06 -0.02 1.82 4.20 -0.98 1.39 115.11 122.58 2kwc h GLN 96 Ca 0.09 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2kwc h GLN 96 Cb 0.53 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2kwc h GLN 96 CO -0.00 0.86 -0.05 0.39 -0.67 0.00 0.00 178.83 179.35 2kwc n GLU 97 N -4.38 1.36 0.00 1.46 1.02 -0.04 -4.21 120.64 115.84 2kwc n GLU 97 Ca 0.06 -1.38 0.04 0.00 -0.02 0.00 0.00 57.16 55.86 2kwc n GLU 97 Cb 0.16 -1.31 0.02 0.00 -0.02 0.00 0.00 31.44 30.29 2kwc n GLU 97 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kwc n HIS 98 N 0.77 0.00 -1.86 -0.32 8.25 0.44 -5.01 115.22 117.49 2kwc n HIS 98 Ca 0.09 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.14 2kwc n HIS 98 Cb 0.40 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.50 2kwc n HIS 98 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2kwc s LYS 99 N -0.77 4.16 0.69 -0.41 2.36 0.47 -4.62 119.74 121.62 2kwc s LYS 99 Ca 0.08 2.50 0.04 0.00 -2.55 0.00 0.00 55.97 56.04 2kwc s LYS 99 Cb 0.06 -3.01 0.13 0.00 -1.05 0.00 0.00 37.83 33.96 2kwc s LYS 99 CO 0.12 -0.51 0.95 -0.25 1.55 0.00 0.00 175.35 177.21 2kwc n ASP 100 N 1.26 1.69 0.13 1.43 9.92 -1.13 -4.94 116.55 124.91 2kwc n ASP 100 Ca 0.04 -2.33 0.00 0.00 -0.53 0.00 0.00 54.79 51.97 2kwc n ASP 100 Cb 0.39 -0.58 0.30 0.00 -0.64 0.00 0.00 41.12 40.59 2kwc n ASP 100 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2kwc h LYS 101 N 0.00 0.14 0.00 -1.24 1.57 -1.95 -1.99 116.57 113.11 2kwc h LYS 101 Ca -0.32 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.29 2kwc h LYS 101 Cb 1.27 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 2kwc h LYS 101 CO 0.38 0.48 -0.55 0.38 -0.57 0.00 0.00 179.45 179.57 2kwc h ASP 102 N 0.13 0.00 0.00 0.86 3.04 -1.94 -3.48 116.42 115.03 2kwc h ASP 102 Ca 0.01 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 2kwc h ASP 102 Cb 0.68 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.97 2kwc h ASP 102 CO 0.05 0.55 0.00 0.61 -2.04 0.00 0.00 179.24 178.41 2kwc n GLY 103 N 0.68 3.27 3.06 7.15 0.00 -0.75 -4.22 105.19 114.39 2kwc n GLY 103 Ca 0.00 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 2kwc n GLY 103 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kwc n PHE 104 N 0.00 -2.34 -4.71 1.61 3.72 -1.26 -3.96 117.46 110.51 2kwc n PHE 104 Ca 0.00 -0.05 -0.32 0.00 -0.05 0.00 0.00 57.45 57.04 2kwc n PHE 104 Cb 0.00 -1.40 -0.17 0.00 -0.94 0.00 0.00 39.48 36.97 2kwc n PHE 104 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2kwc s LEU 105 N -0.52 2.04 -0.56 4.37 2.96 -1.25 -2.85 118.68 122.86 2kwc s LEU 105 Ca 0.41 -0.57 -0.17 0.00 -0.22 0.00 0.00 54.13 53.59 2kwc s LEU 105 Cb -0.07 -1.37 0.13 0.00 0.50 0.00 0.00 46.19 45.37 2kwc s LEU 105 CO 0.39 0.08 0.56 -0.31 -1.32 0.00 0.00 176.35 175.75 2kwc s TYR 106 N 0.77 3.21 0.30 5.38 1.51 -1.26 -1.11 117.35 126.15 2kwc s TYR 106 Ca -0.09 -1.24 0.09 0.00 -1.01 0.00 0.00 57.07 54.82 2kwc s TYR 106 Cb -0.16 -3.85 -0.06 0.00 -0.11 0.00 0.00 41.96 37.78 2kwc s TYR 106 CO -0.00 -1.08 -0.10 0.54 -1.11 0.00 0.00 175.55 173.79 2kwc s VAL 107 N 1.79 1.99 -0.11 0.71 0.11 -1.19 -4.43 120.40 119.28 2kwc s VAL 107 Ca 0.05 -2.20 -0.13 0.00 -2.93 0.00 0.00 61.98 56.77 2kwc s VAL 107 Cb -0.28 -2.46 0.03 0.00 -1.53 0.00 0.00 36.38 32.14 2kwc s VAL 107 CO 0.03 -0.31 0.36 -0.89 -3.33 0.00 0.00 175.10 170.96 2kwc s THR 108 N -2.79 0.01 0.32 5.04 2.01 -0.22 -0.69 115.64 119.32 2kwc s THR 108 Ca 0.30 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.23 2kwc s THR 108 Cb 0.02 -0.54 -0.06 0.00 0.01 0.00 0.00 72.50 71.93 2kwc s THR 108 CO 0.14 -0.05 0.08 -0.72 -0.69 0.00 0.00 174.62 173.37 2kwc s TYR 109 N -0.13 1.84 0.20 4.92 1.13 -1.18 0.17 117.35 124.29 2kwc s TYR 109 Ca -0.03 -1.05 -0.23 0.00 -1.41 0.00 0.00 57.07 54.34 2kwc s TYR 109 Cb -0.03 -1.17 0.05 0.00 -1.10 0.00 0.00 41.96 39.71 2kwc s TYR 109 CO 0.01 -0.12 0.88 0.45 -2.51 0.00 0.00 175.55 174.27 2kwc s SER 110 N -3.45 -0.20 0.00 -0.18 0.15 0.05 -1.31 113.70 108.76 2kwc s SER 110 Ca 0.36 -0.49 0.21 0.00 0.70 0.00 0.00 55.95 56.72 2kwc s SER 110 Cb 0.08 0.57 1.24 0.00 -1.71 0.00 0.00 66.02 66.21 2kwc s SER 110 CO 0.15 -1.06 1.76 0.61 1.20 0.00 0.00 173.24 175.89 2kwc n GLY 111 N -0.47 -0.93 3.40 9.45 0.00 -1.26 0.20 105.19 115.57 2kwc n GLY 111 Ca -0.05 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 2kwc n GLY 111 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kwc s GLU 112 N -2.00 1.46 -0.45 1.61 2.12 -1.24 -4.46 118.70 115.74 2kwc s GLU 112 Ca 0.31 -1.55 -0.03 0.00 0.36 0.00 0.00 54.97 54.06 2kwc s GLU 112 Cb 0.14 -1.58 0.16 0.00 0.26 0.00 0.00 34.13 33.11 2kwc s GLU 112 CO 0.24 0.32 2.43 -1.71 -0.54 0.00 0.00 175.26 176.00 2kwc n ASN 113 N -0.01 6.63 -4.41 -1.70 2.85 -1.26 -4.30 115.26 113.06 2kwc n ASN 113 Ca -0.10 -3.24 -0.26 0.00 -0.11 0.00 0.00 54.58 50.87 2kwc n ASN 113 Cb 0.58 -1.15 -0.12 0.00 1.24 0.00 0.00 39.78 40.33 2kwc n ASN 113 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2kwc s THR 114 N -2.62 2.24 -2.07 -0.44 -4.23 -1.26 -5.01 115.64 102.25 2kwc s THR 114 Ca 0.50 -2.03 0.18 0.00 -1.18 0.00 0.00 61.69 59.16 2kwc s THR 114 Cb 0.35 -2.07 0.48 0.00 1.34 0.00 0.00 72.50 72.60 2kwc s THR 114 CO -0.15 -0.18 1.63 0.49 -0.54 0.00 0.00 174.62 175.87 2kwc n PHE 115 N 0.22 0.06 -1.50 3.99 3.72 -1.26 -4.91 117.46 117.77 2kwc n PHE 115 Ca -0.12 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 2kwc n PHE 115 Cb 0.56 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 2kwc n PHE 115 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12