#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdr s ALA 46 N 0.00 2.41 -0.52 4.31 0.00 -1.26 -4.98 121.76 121.72 3kdr s ALA 46 Ca 0.00 0.39 -0.18 0.00 0.00 0.00 0.00 51.96 52.18 3kdr s ALA 46 Cb 0.00 -3.29 0.08 0.00 0.00 0.00 0.00 23.12 19.92 3kdr s ALA 46 CO 0.00 -1.45 0.56 0.08 0.00 0.00 0.00 175.76 174.95 3kdr s VAL 47 N -2.62 5.01 -0.18 0.00 1.01 -1.26 -4.85 120.40 117.51 3kdr s VAL 47 Ca 0.64 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.77 3kdr s VAL 47 Cb -0.18 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 31.84 3kdr s VAL 47 CO 0.48 -0.82 0.18 0.35 0.00 0.00 0.00 175.10 175.29 3kdr n THR 48 N 5.44 0.00 -4.41 3.92 -2.24 -1.26 -4.64 114.28 111.09 3kdr n THR 48 Ca -0.10 -0.33 -0.24 0.00 -2.27 0.00 0.00 64.05 61.12 3kdr n THR 48 Cb 0.44 0.87 -0.09 0.00 -2.10 0.00 0.00 70.33 69.44 3kdr n THR 48 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3kdr s THR 49 N -1.64 2.80 0.09 4.28 -4.23 -1.26 -4.94 115.64 110.74 3kdr s THR 49 Ca 0.01 -2.23 -0.22 0.00 -1.18 0.00 0.00 61.69 58.06 3kdr s THR 49 Cb 0.03 -2.50 -0.14 0.00 1.34 0.00 0.00 72.50 71.24 3kdr s THR 49 CO 0.20 -0.38 1.74 -0.09 -0.54 0.00 0.00 174.62 175.54 3kdr h ARG 50 N 2.13 0.05 -0.71 3.99 2.43 -1.98 -0.39 114.38 119.90 3kdr h ARG 50 Ca -0.41 -0.00 0.15 0.00 -0.81 0.00 0.00 59.98 58.90 3kdr h ARG 50 Cb 1.26 -0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 30.66 3kdr h ARG 50 CO 0.60 0.04 -0.15 0.00 -1.51 0.00 0.00 179.97 178.96 3kdr h ALA 51 N 1.00 0.51 -0.38 2.80 0.00 -1.98 0.26 119.26 121.47 3kdr h ALA 51 Ca 0.01 0.27 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3kdr h ALA 51 Cb 0.00 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3kdr h ALA 51 CO -0.00 -0.42 -0.00 0.93 0.00 0.00 0.00 179.25 179.76 3kdr h GLU 52 N 0.01 0.67 -0.83 0.00 5.08 -1.81 -2.77 114.58 114.95 3kdr h GLU 52 Ca 0.35 -0.22 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 3kdr h GLU 52 Cb 0.55 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 3kdr h GLU 52 CO -0.71 0.78 0.50 0.00 -1.00 0.00 0.00 179.01 178.57 3kdr h ALA 53 N 0.87 1.14 0.00 3.43 0.00 0.67 -1.75 119.26 123.62 3kdr h ALA 53 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kdr h ALA 53 Cb 0.47 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3kdr h ALA 53 CO 0.02 0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.77 3kdr n LEU 54 N -4.66 0.00 0.00 0.00 4.77 0.72 -1.57 117.00 116.25 3kdr n LEU 54 Ca 0.12 0.41 0.15 0.00 -0.03 0.00 0.00 56.01 56.66 3kdr n LEU 54 Cb 0.19 -0.41 0.80 0.00 -2.33 0.00 0.00 43.42 41.67 3kdr n LEU 54 CO 0.30 -0.19 1.04 0.35 -1.33 0.00 0.00 177.39 177.55 3kdr n THR 55 N -1.41 0.02 -3.31 -5.08 -2.24 -0.66 -4.51 114.28 97.09 3kdr n THR 55 Ca 0.05 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.43 3kdr n THR 55 Cb 0.16 -0.51 -0.08 0.00 -2.10 0.00 0.00 70.33 67.79 3kdr n THR 55 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3kdr s ILE 56 N -2.42 5.08 0.29 2.28 1.01 -0.61 -4.98 121.20 121.86 3kdr s ILE 56 Ca 0.33 0.19 -0.00 0.00 0.00 0.00 0.00 60.65 61.16 3kdr s ILE 56 Cb 0.20 -3.91 0.28 0.00 0.01 0.00 0.00 42.46 39.04 3kdr s ILE 56 CO 0.43 -0.18 1.92 -0.65 0.00 0.00 0.00 174.94 176.45 3kdr h PRO 57 N 8.48 1.05 -0.96 2.79 0.11 -1.87 0.21 132.00 141.81 3kdr h PRO 57 Ca -0.29 -0.06 0.07 0.00 0.11 0.00 0.00 66.00 65.84 3kdr h PRO 57 Cb 1.13 -0.24 -0.07 0.00 0.11 0.00 0.00 31.00 31.94 3kdr h PRO 57 CO 0.74 0.69 0.62 0.00 -0.21 0.00 0.00 178.00 179.85 3kdr h ALA 58 N 1.49 1.48 -0.28 -0.75 0.00 -1.94 0.97 119.26 120.22 3kdr h ALA 58 Ca 0.38 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 3kdr h ALA 58 Cb 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kdr h ALA 58 CO -0.14 0.36 -0.05 0.28 0.00 0.00 0.00 179.25 179.71 3kdr h VAL 59 N 1.08 1.28 -0.58 0.00 2.07 -0.91 -0.98 116.25 118.20 3kdr h VAL 59 Ca 0.42 -1.05 -0.06 0.00 0.82 0.00 0.00 66.70 66.84 3kdr h VAL 59 Cb 0.24 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3kdr h VAL 59 CO -0.17 0.33 0.14 0.25 0.02 0.00 0.00 177.57 178.14 3kdr h LEU 60 N 0.29 0.88 -0.32 2.57 5.85 -0.59 0.87 115.31 124.86 3kdr h LEU 60 Ca 0.07 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 3kdr h LEU 60 Cb 0.51 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3kdr h LEU 60 CO 0.02 0.88 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.91 3kdr h ARG 61 N 0.83 0.56 -0.12 1.25 9.65 -0.63 -2.26 114.38 123.67 3kdr h ARG 61 Ca 0.18 -0.18 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3kdr h ARG 61 Cb 0.35 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 3kdr h ARG 61 CO 0.00 0.71 0.07 0.00 2.80 0.00 0.00 179.97 183.55 3kdr h ALA 62 N 0.84 0.15 -0.96 2.80 0.00 -1.00 -2.19 119.26 118.90 3kdr h ALA 62 Ca 0.09 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.14 3kdr h ALA 62 Cb 0.46 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 3kdr h ALA 62 CO 0.02 -0.34 0.61 -0.09 0.00 0.00 0.00 179.25 179.45 3kdr h ARG 63 N 0.13 0.68 0.03 0.00 1.12 -0.65 -0.07 114.38 115.62 3kdr h ARG 63 Ca 0.04 -0.04 -0.24 0.00 -1.11 0.00 0.00 59.98 58.63 3kdr h ARG 63 Cb 0.03 -0.15 0.02 0.00 -0.01 0.00 0.00 29.97 29.85 3kdr h ARG 63 CO -0.01 0.45 -0.95 -0.91 -3.11 0.00 0.00 179.97 175.45 3kdr h ASN 64 N 0.70 0.77 -0.99 -3.80 2.35 -1.09 0.18 115.58 113.70 3kdr h ASN 64 Ca 0.52 -0.78 0.17 0.00 -0.55 0.00 0.00 56.30 55.67 3kdr h ASN 64 Cb 0.88 -0.24 -0.10 0.00 0.05 0.00 0.00 38.32 38.91 3kdr h ASN 64 CO -0.28 1.46 0.60 -0.07 -1.65 0.00 0.00 177.43 177.48 3kdr h LEU 65 N 0.18 0.79 0.00 1.61 4.07 -0.92 -1.89 115.31 119.15 3kdr h LEU 65 Ca -0.13 0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.92 3kdr h LEU 65 Cb 1.63 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 43.32 3kdr h LEU 65 CO 0.18 0.31 -0.09 -0.07 -1.08 0.00 0.00 178.44 177.69 3kdr h LEU 66 N 0.80 0.00 -0.69 1.67 3.38 -0.74 -3.28 115.31 116.45 3kdr h LEU 66 Ca 0.55 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.55 3kdr h LEU 66 Cb 0.80 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 3kdr h LEU 66 CO -0.36 0.48 0.44 0.28 0.09 0.00 0.00 178.44 179.37 3kdr h SER 67 N -0.87 0.73 -0.79 -0.43 0.02 -0.73 -2.92 113.55 108.56 3kdr h SER 67 Ca 0.00 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 3kdr h SER 67 Cb 0.09 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 3kdr h SER 67 CO 0.00 0.51 0.36 0.74 -1.14 0.00 0.00 176.83 177.30 3kdr h THR 68 N 0.87 1.25 -0.39 -2.27 2.02 -1.48 -2.10 112.91 110.80 3kdr h THR 68 Ca 0.27 -0.73 -0.09 0.00 0.77 0.00 0.00 66.41 66.62 3kdr h THR 68 Cb -0.01 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 3kdr h THR 68 CO -0.09 0.31 -0.11 0.74 0.37 0.00 0.00 175.52 176.73 3kdr h THR 69 N 1.12 1.28 0.21 3.16 2.02 -1.60 -0.08 112.91 119.02 3kdr h THR 69 Ca 0.27 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.23 3kdr h THR 69 Cb 0.15 1.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3kdr h THR 69 CO -0.03 0.40 -0.11 0.58 0.37 0.00 0.00 175.52 176.73 3kdr h VAL 70 N 0.57 0.76 -0.20 3.16 2.07 -1.33 -2.09 116.25 119.19 3kdr h VAL 70 Ca 0.10 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.67 3kdr h VAL 70 Cb 0.64 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3kdr h VAL 70 CO 0.04 0.00 0.14 0.00 0.02 0.00 0.00 177.57 177.77 3kdr h ALA 71 N 0.49 2.15 0.00 1.67 0.00 -1.12 -0.61 119.26 121.85 3kdr h ALA 71 Ca -0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3kdr h ALA 71 Cb 0.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3kdr h ALA 71 CO 0.03 -0.21 -0.33 0.00 0.00 0.00 0.00 179.25 178.75 3kdr h ARG 72 N 0.03 0.00 -5.79 0.00 3.08 -0.37 -3.45 114.38 107.87 3kdr h ARG 72 Ca 0.09 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.55 3kdr h ARG 72 Cb 0.34 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.32 3kdr h ARG 72 CO -0.00 0.33 -0.23 0.95 -1.07 0.00 0.00 179.97 179.95 3kdr s THR 73 N -3.38 5.16 0.62 2.04 -4.23 -0.24 -4.95 115.64 110.66 3kdr s THR 73 Ca 0.02 0.77 -0.10 0.00 -1.18 0.00 0.00 61.69 61.20 3kdr s THR 73 Cb 0.09 -3.71 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 3kdr s THR 73 CO 0.68 0.46 1.01 -2.16 -0.54 0.00 0.00 174.62 174.08 3kdr s PRO 74 N -0.22 3.45 0.03 3.99 0.04 -1.26 -4.79 135.00 136.24 3kdr s PRO 74 Ca 0.22 0.62 -0.08 0.00 0.04 0.00 0.00 61.00 61.81 3kdr s PRO 74 Cb -0.15 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 3kdr s PRO 74 CO 0.10 -0.61 0.31 -0.51 0.04 0.00 0.00 177.00 176.33 3kdr s LEU 75 N -5.16 4.37 0.09 -3.56 1.43 -1.26 -0.96 118.68 113.63 3kdr s LEU 75 Ca 0.55 0.64 -0.10 0.00 -1.03 0.00 0.00 54.13 54.19 3kdr s LEU 75 Cb -0.11 -2.76 0.00 0.00 0.03 0.00 0.00 46.19 43.36 3kdr s LEU 75 CO 0.52 0.23 0.22 -0.69 0.23 0.00 0.00 176.35 176.86 3kdr s VAL 76 N -1.32 0.13 -0.21 -1.59 1.01 0.13 -4.94 120.40 113.61 3kdr s VAL 76 Ca 0.29 -1.10 -0.28 0.00 0.00 0.00 0.00 61.98 60.90 3kdr s VAL 76 Cb -0.14 -1.31 0.11 0.00 0.00 0.00 0.00 36.38 35.05 3kdr s VAL 76 CO 0.16 -0.61 0.93 0.00 0.00 0.00 0.00 175.10 175.59 3kdr s ASP 78 N -0.40 7.22 0.40 0.00 1.01 -1.26 -4.86 116.67 118.77 3kdr s ASP 78 Ca -0.01 1.45 0.00 0.00 0.71 0.00 0.00 52.55 54.70 3kdr s ASP 78 Cb -0.03 -2.44 0.00 0.00 1.01 0.00 0.00 42.92 41.46 3kdr s ASP 78 CO -0.00 0.16 0.00 0.61 0.21 0.00 0.00 175.17 176.15 3kdr n GLY 79 N 1.92 -1.69 3.69 0.21 0.00 -1.26 -4.80 105.19 103.26 3kdr n GLY 79 Ca -0.06 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 3kdr n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kdr s THR 80 N -0.56 3.84 0.16 2.61 2.01 -1.26 -4.95 115.64 117.49 3kdr s THR 80 Ca 0.00 1.23 -0.31 0.00 0.31 0.00 0.00 61.69 62.91 3kdr s THR 80 Cb 0.00 -3.79 -0.09 0.00 0.01 0.00 0.00 72.50 68.63 3kdr s THR 80 CO 0.00 0.01 1.46 -0.22 -0.69 0.00 0.00 174.62 175.18 3kdr s LEU 81 N 2.21 4.38 0.28 4.42 2.96 -1.26 -4.94 118.68 126.73 3kdr s LEU 81 Ca 0.62 2.50 -0.30 0.00 -0.22 0.00 0.00 54.13 56.72 3kdr s LEU 81 Cb -0.30 -3.60 -0.13 0.00 0.50 0.00 0.00 46.19 42.67 3kdr s LEU 81 CO 0.26 -0.72 1.36 -2.65 -1.32 0.00 0.00 176.35 173.28 3kdr n PRO 82 N 3.62 2.08 0.30 0.98 -0.02 -1.26 -4.87 135.00 135.83 3kdr n PRO 82 Ca 0.11 0.74 0.16 0.00 -2.02 0.00 0.00 63.50 62.49 3kdr n PRO 82 Cb 0.40 -2.36 0.95 0.00 -0.02 0.00 0.00 33.50 32.48 3kdr n PRO 82 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kdr h PRO 83 N 3.52 0.00 0.00 0.52 0.11 -1.87 -2.12 132.00 132.16 3kdr h PRO 83 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kdr h PRO 83 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3kdr h PRO 83 CO 0.70 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.46 3kdr n PHE 84 N -3.76 0.62 0.03 0.65 1.16 -1.24 -3.64 117.46 111.28 3kdr n PHE 84 Ca -0.03 0.23 -0.13 0.00 -1.87 0.00 0.00 57.45 55.65 3kdr n PHE 84 Cb 0.08 -0.87 -0.09 0.00 -1.61 0.00 0.00 39.48 37.00 3kdr n PHE 84 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 3kdr h VAL 85 N 0.00 1.19 -0.00 1.97 2.07 -1.71 -3.15 116.25 116.61 3kdr h VAL 85 Ca 0.00 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3kdr h VAL 85 Cb 0.42 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3kdr h VAL 85 CO 0.00 0.20 -0.28 -0.81 0.02 0.00 0.00 177.57 176.69 3kdr n PRO 86 N -4.96 0.34 -3.99 1.57 -0.04 -1.25 -4.79 135.00 121.89 3kdr n PRO 86 Ca -0.08 -0.16 -0.30 0.00 -0.04 0.00 0.00 63.50 62.91 3kdr n PRO 86 Cb 0.20 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.00 3kdr n PRO 86 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kdr s VAL 87 N -2.77 1.62 0.00 0.52 1.01 -1.19 -4.82 120.40 114.78 3kdr s VAL 87 Ca 0.18 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3kdr s VAL 87 Cb 0.19 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.87 3kdr s VAL 87 CO 0.58 0.17 0.00 0.00 0.00 0.00 0.00 175.10 175.85 3kdr n ALA 88 N 4.69 0.00 -2.66 5.51 0.00 -1.26 -3.45 120.51 123.34 3kdr n ALA 88 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.92 3kdr n ALA 88 Cb 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.83 3kdr n ALA 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kdr s ALA 89 N -4.00 3.58 0.15 0.00 0.00 -1.20 -4.10 121.76 116.19 3kdr s ALA 89 Ca 0.00 -0.72 -0.13 0.00 0.00 0.00 0.00 51.96 51.11 3kdr s ALA 89 Cb 0.00 -2.50 0.03 0.00 0.00 0.00 0.00 23.12 20.66 3kdr s ALA 89 CO 0.00 -0.28 1.68 -1.35 0.00 0.00 0.00 175.76 175.81 3kdr h PRO 90 N 7.50 0.78 0.00 0.00 0.11 -1.94 -3.42 132.00 135.04 3kdr h PRO 90 Ca -0.37 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3kdr h PRO 90 Cb 1.17 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3kdr h PRO 90 CO 0.68 0.73 0.00 0.00 -0.21 0.00 0.00 178.00 179.20 3kdr n ALA 94 N -2.36 0.00 -2.27 -0.75 0.00 -1.26 -5.17 120.51 108.69 3kdr n ALA 94 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3kdr n ALA 94 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 3kdr n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kdr n THR 95 N 0.00 0.00 -3.32 0.00 -2.24 -1.26 -5.28 114.28 102.18 3kdr n THR 95 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 3kdr n THR 95 Cb 0.00 -1.24 -0.04 0.00 -2.10 0.00 0.00 70.33 66.95 3kdr n THR 95 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3kdr s GLN 97 N -0.80 0.18 0.52 -0.78 0.74 -1.26 -4.93 119.66 113.33 3kdr s GLN 97 Ca 0.00 0.45 -0.21 0.00 0.05 0.00 0.00 55.36 55.65 3kdr s GLN 97 Cb 0.00 0.26 -0.06 0.00 1.10 0.00 0.00 33.01 34.31 3kdr s GLN 97 CO 0.00 -0.06 1.17 0.95 -0.55 0.00 0.00 175.29 176.80 3kdr s THR 98 N 2.22 2.98 0.31 -0.34 -4.23 -1.26 -3.25 115.64 112.08 3kdr s THR 98 Ca -0.02 0.66 0.06 0.00 -1.18 0.00 0.00 61.69 61.22 3kdr s THR 98 Cb -0.04 -3.30 0.31 0.00 1.34 0.00 0.00 72.50 70.81 3kdr s THR 98 CO -0.17 -0.08 1.80 -0.65 -0.54 0.00 0.00 174.62 174.98 3kdr h PRO 99 N 1.48 0.75 0.15 3.99 0.11 -1.93 0.22 132.00 136.76 3kdr h PRO 99 Ca -0.50 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.58 3kdr h PRO 99 Cb 1.27 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3kdr h PRO 99 CO 0.58 0.50 -0.26 0.35 -0.21 0.00 0.00 178.00 178.95 3kdr h PHE 100 N 0.78 -0.70 -0.16 0.65 3.57 -1.91 -1.22 116.94 117.94 3kdr h PHE 100 Ca 0.55 0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.07 3kdr h PHE 100 Cb 0.85 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 3kdr h PHE 100 CO -0.00 -0.37 0.10 1.25 -2.23 0.00 0.00 178.31 177.06 3kdr h HIS 101 N -0.49 0.21 0.00 0.41 2.76 -1.55 -0.87 115.15 115.62 3kdr h HIS 101 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3kdr h HIS 101 Cb 0.50 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.39 3kdr h HIS 101 CO -0.23 0.14 0.00 -2.13 -1.30 0.00 0.00 177.93 174.41 3kdr n ARG 102 N -4.51 0.26 0.00 5.26 0.63 -0.07 -0.96 116.66 117.27 3kdr n ARG 102 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3kdr n ARG 102 Cb 0.08 -1.08 0.00 0.00 0.45 0.00 0.00 32.46 31.91 3kdr n ARG 102 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3kdr n LEU 104 N 0.05 0.00 -0.24 6.15 7.94 -0.33 -1.59 117.00 128.98 3kdr n LEU 104 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.83 3kdr n LEU 104 Cb 0.04 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.03 3kdr n LEU 104 CO 0.00 0.00 1.01 0.00 -1.11 0.00 0.00 177.39 177.29 3kdr h ALA 105 N 0.00 0.86 -0.23 1.96 0.00 -1.29 -1.67 119.26 118.90 3kdr h ALA 105 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3kdr h ALA 105 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3kdr h ALA 105 CO 0.00 0.48 0.03 1.15 0.00 0.00 0.00 179.25 180.91 3kdr h THR 106 N 0.94 1.23 -0.69 0.00 2.02 -1.52 -1.71 112.91 113.18 3kdr h THR 106 Ca 0.22 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 66.64 3kdr h THR 106 Cb 0.20 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 3kdr h THR 106 CO -0.02 0.24 0.43 0.00 0.37 0.00 0.00 175.52 176.55 3kdr h ALA 107 N 0.84 1.47 -0.38 6.16 0.00 -1.74 -1.89 119.26 123.72 3kdr h ALA 107 Ca 0.07 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 3kdr h ALA 107 Cb 0.33 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3kdr h ALA 107 CO 0.00 0.47 -0.35 -0.44 0.00 0.00 0.00 179.25 178.94 3kdr h ASP 108 N 0.94 0.93 -0.72 0.00 3.32 -1.05 -2.64 116.42 117.20 3kdr h ASP 108 Ca 0.25 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 3kdr h ASP 108 Cb -0.07 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.18 3kdr h ASP 108 CO -0.05 1.18 0.31 0.44 -1.72 0.00 0.00 179.24 179.41 3kdr h ASP 109 N 0.73 0.98 0.11 6.45 5.19 -0.66 -1.56 116.42 127.67 3kdr h ASP 109 Ca 0.07 -0.16 -0.17 0.00 -0.62 0.00 0.00 57.03 56.15 3kdr h ASP 109 Cb 0.92 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 40.18 3kdr h ASP 109 CO 0.09 0.86 -0.64 -0.07 -3.12 0.00 0.00 179.24 176.36 3kdr h LEU 110 N 1.03 0.58 0.20 1.55 3.38 -1.30 0.19 115.31 120.94 3kdr h LEU 110 Ca 0.24 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3kdr h LEU 110 Cb 0.17 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kdr h LEU 110 CO -0.02 1.07 -0.09 0.25 0.09 0.00 0.00 178.44 179.73 3kdr h LEU 111 N 0.37 -0.22 0.12 1.67 5.85 -1.36 -1.80 115.31 119.94 3kdr h LEU 111 Ca -0.01 -0.24 -0.21 0.00 0.84 0.00 0.00 57.88 58.26 3kdr h LEU 111 Cb 1.20 0.06 0.02 0.00 0.37 0.00 0.00 40.66 42.31 3kdr h LEU 111 CO 0.12 0.14 -0.89 -0.26 -0.34 0.00 0.00 178.44 177.21 3kdr h PHE 112 N -0.61 0.66 -0.00 1.25 0.04 -1.29 0.99 116.94 117.98 3kdr h PHE 112 Ca -0.03 -0.45 0.00 0.00 2.80 0.00 0.00 57.97 60.30 3kdr h PHE 112 Cb 0.45 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.56 3kdr h PHE 112 CO 0.03 1.32 -0.38 0.09 -0.60 0.00 0.00 178.31 178.77 3kdr n ASN 113 N -4.07 0.97 0.00 2.17 3.02 0.61 -1.77 115.26 116.19 3kdr n ASN 113 Ca -0.13 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 3kdr n ASN 113 Cb 0.84 0.72 0.00 0.00 -0.61 0.00 0.00 39.78 40.73 3kdr n ASN 113 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kdr n GLY 114 N 1.11 0.52 3.47 7.41 0.00 -0.68 -4.37 105.19 112.67 3kdr n GLY 114 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 3kdr n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kdr s VAL 115 N -2.18 0.01 -0.07 1.61 0.11 -1.23 -1.21 120.40 117.44 3kdr s VAL 115 Ca 0.00 -0.05 -0.22 0.00 -2.93 0.00 0.00 61.98 58.78 3kdr s VAL 115 Cb 0.00 -0.98 0.05 0.00 -1.53 0.00 0.00 36.38 33.91 3kdr s VAL 115 CO 0.00 -0.03 0.50 0.00 -3.33 0.00 0.00 175.10 172.24 3kdr s ALA 116 N -1.90 -1.28 -0.08 1.54 0.00 -0.65 -3.88 121.76 115.51 3kdr s ALA 116 Ca -0.08 0.95 0.04 0.00 0.00 0.00 0.00 51.96 52.87 3kdr s ALA 116 Cb -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.98 3kdr s ALA 116 CO 0.03 -0.30 -0.19 0.00 0.00 0.00 0.00 175.76 175.30 3kdr s TRP 118 N 0.35 3.57 -0.29 0.00 0.52 0.11 -2.53 118.94 120.67 3kdr s TRP 118 Ca -0.14 0.54 -0.14 0.00 0.02 0.00 0.00 56.10 56.38 3kdr s TRP 118 Cb -0.16 -1.96 -0.04 0.00 -1.15 0.00 0.00 33.47 30.16 3kdr s TRP 118 CO 0.06 0.62 0.31 0.00 0.02 0.00 0.00 176.95 177.96 3kdr s ALA 119 N -1.29 3.54 0.07 0.98 0.00 0.09 -1.18 121.76 123.97 3kdr s ALA 119 Ca 0.27 -0.99 -0.19 0.00 0.00 0.00 0.00 51.96 51.05 3kdr s ALA 119 Cb -0.13 -2.66 -0.07 0.00 0.00 0.00 0.00 23.12 20.27 3kdr s ALA 119 CO 0.16 -0.71 0.56 -0.51 0.00 0.00 0.00 175.76 175.26 3kdr s LEU 120 N 1.96 4.52 -0.52 0.00 1.02 -0.10 -1.46 118.68 124.11 3kdr s LEU 120 Ca 0.12 1.24 -0.03 0.00 0.02 0.00 0.00 54.13 55.48 3kdr s LEU 120 Cb -0.16 -2.87 0.14 0.00 0.02 0.00 0.00 46.19 43.31 3kdr s LEU 120 CO 0.11 0.28 0.33 -0.62 0.02 0.00 0.00 176.35 176.46 3kdr s ASP 121 N -1.10 5.29 -0.34 2.29 2.15 0.36 -4.77 116.67 120.54 3kdr s ASP 121 Ca 0.29 -2.42 -0.20 0.00 0.43 0.00 0.00 52.55 50.65 3kdr s ASP 121 Cb -0.19 -1.86 -0.00 0.00 -0.30 0.00 0.00 42.92 40.57 3kdr s ASP 121 CO 0.19 -0.47 0.62 -0.13 -0.17 0.00 0.00 175.17 175.20 3kdr s ARG 122 N 0.58 3.73 0.00 4.34 0.52 -1.26 -1.20 118.95 125.66 3kdr s ARG 122 Ca 0.12 0.09 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 3kdr s ARG 122 Cb -0.22 -3.79 0.00 0.00 0.52 0.00 0.00 34.95 31.47 3kdr s ARG 122 CO -0.04 -0.68 0.00 -0.25 0.02 0.00 0.00 175.30 174.35 3kdr n ASP 123 N 5.96 0.00 -3.07 0.23 9.92 -1.12 -4.93 116.55 123.55 3kdr n ASP 123 Ca -0.02 0.00 -0.44 0.00 -0.53 0.00 0.00 54.79 53.80 3kdr n ASP 123 Cb 0.49 -0.01 -0.06 0.00 -0.64 0.00 0.00 41.12 40.89 3kdr n ASP 123 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3kdr n GLU 124 N -1.42 0.00 -1.78 -1.24 1.02 -1.25 -4.14 120.64 111.84 3kdr n GLU 124 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 3kdr n GLU 124 Cb 0.00 -0.97 -0.03 0.00 -0.02 0.00 0.00 31.44 30.42 3kdr n GLU 124 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3kdr s SER 125 N 1.92 5.54 0.00 1.62 0.01 -1.26 0.66 113.70 122.19 3kdr s SER 125 Ca 0.68 1.53 0.00 0.00 1.31 0.00 0.00 55.95 59.46 3kdr s SER 125 Cb -0.97 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 62.74 3kdr s SER 125 CO 0.53 -1.95 0.00 0.61 0.41 0.00 0.00 173.24 172.83 3kdr n GLY 126 N 5.65 2.08 3.81 3.44 0.00 -1.26 -5.12 105.19 113.79 3kdr n GLY 126 Ca 0.27 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 3kdr n GLY 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kdr s THR 127 N 0.00 3.92 -0.26 2.61 -4.23 0.21 -4.84 115.64 113.06 3kdr s THR 127 Ca 0.00 0.96 -0.20 0.00 -1.18 0.00 0.00 61.69 61.26 3kdr s THR 127 Cb 0.00 -3.45 -0.02 0.00 1.34 0.00 0.00 72.50 70.37 3kdr s THR 127 CO 0.00 -0.50 0.62 0.00 -0.54 0.00 0.00 174.62 174.21 3kdr n ILE 129 N 5.21 0.00 -3.49 0.00 -5.35 -0.34 -3.92 119.36 111.46 3kdr n ILE 129 Ca -0.01 -0.31 -0.15 0.00 -0.27 0.00 0.00 62.75 62.01 3kdr n ILE 129 Cb 0.49 1.06 -0.05 0.00 -1.74 0.00 0.00 39.64 39.40 3kdr n ILE 129 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3kdr s GLY 130 N -1.77 -0.56 -0.05 3.28 0.00 -0.96 -3.62 107.32 103.63 3kdr s GLY 130 Ca 0.06 1.11 -0.05 0.00 0.00 0.00 0.00 44.72 45.85 3kdr s GLY 130 CO 0.37 0.70 0.14 0.00 0.00 0.00 0.00 173.10 174.31 3kdr s ALA 131 N -2.02 -0.34 0.04 3.20 0.00 -1.22 -0.49 121.76 120.93 3kdr s ALA 131 Ca -0.06 0.34 0.09 0.00 0.00 0.00 0.00 51.96 52.33 3kdr s ALA 131 Cb -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 3kdr s ALA 131 CO 0.02 -0.08 -0.25 0.96 0.00 0.00 0.00 175.76 176.41 3kdr s ILE 132 N -0.06 2.00 0.30 0.00 -4.36 -0.53 -4.22 121.20 114.33 3kdr s ILE 132 Ca -0.01 -1.32 -0.29 0.00 -0.26 0.00 0.00 60.65 58.76 3kdr s ILE 132 Cb -0.02 -1.71 -0.10 0.00 1.25 0.00 0.00 42.46 41.88 3kdr s ILE 132 CO 0.00 0.33 1.17 -2.28 0.24 0.00 0.00 174.94 174.40 3kdr s HIS 133 N -0.79 3.37 0.01 1.37 5.65 -1.26 -0.74 115.29 122.90 3kdr s HIS 133 Ca 0.10 1.60 0.04 0.00 0.25 0.00 0.00 55.06 57.06 3kdr s HIS 133 Cb -0.10 -3.42 -0.01 0.00 -1.18 0.00 0.00 32.58 27.87 3kdr s HIS 133 CO 0.02 -1.02 -0.14 0.96 -0.65 0.00 0.00 174.74 173.91 3kdr s ILE 134 N -1.18 1.07 0.97 0.89 -4.36 -1.05 -4.87 121.20 112.67 3kdr s ILE 134 Ca 0.47 -0.71 -0.11 0.00 -0.26 0.00 0.00 60.65 60.04 3kdr s ILE 134 Cb -0.34 -0.92 0.18 0.00 1.25 0.00 0.00 42.46 42.63 3kdr s ILE 134 CO 0.45 0.20 1.10 -2.84 0.24 0.00 0.00 174.94 174.09 3kdr s PRO 135 N -0.59 0.59 0.40 0.37 0.02 -1.26 -4.46 135.00 130.07 3kdr s PRO 135 Ca 0.04 1.25 0.22 0.00 0.02 0.00 0.00 61.00 62.53 3kdr s PRO 135 Cb -0.06 -1.70 0.41 0.00 0.02 0.00 0.00 34.50 33.18 3kdr s PRO 135 CO 0.00 -2.83 1.62 -0.07 -0.33 0.00 0.00 177.00 175.39 3kdr h LEU 136 N -2.00 0.00 -1.20 -5.54 3.38 -1.97 -2.59 115.31 105.39 3kdr h LEU 136 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3kdr h LEU 136 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3kdr h LEU 136 CO 0.46 0.17 0.00 -0.90 0.09 0.00 0.00 178.44 178.26 3kdr n ASP 137 N -3.17 1.81 0.00 -0.43 5.68 -1.26 -3.26 116.55 115.93 3kdr n ASP 137 Ca 0.03 -1.69 0.10 0.00 -0.50 0.00 0.00 54.79 52.73 3kdr n ASP 137 Cb 0.56 -0.09 -0.09 0.00 -1.14 0.00 0.00 41.12 40.36 3kdr n ASP 137 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 3kdr n THR 138 N 0.42 0.02 -4.14 2.12 -1.04 -0.98 -4.93 114.28 105.74 3kdr n THR 138 Ca 0.17 -0.11 -0.09 0.00 -2.04 0.00 0.00 64.05 61.97 3kdr n THR 138 Cb 0.37 0.69 -0.10 0.00 -1.82 0.00 0.00 70.33 69.47 3kdr n THR 138 CO 0.00 0.00 0.00 -1.66 -0.64 0.00 0.00 175.07 172.77 3kdr s TRP 139 N -3.11 0.82 0.19 -1.42 1.48 -1.20 -1.36 118.94 114.34 3kdr s TRP 139 Ca 0.05 -1.20 -0.20 0.00 -1.06 0.00 0.00 56.10 53.69 3kdr s TRP 139 Cb 0.16 -0.47 0.04 0.00 -1.16 0.00 0.00 33.47 32.03 3kdr s TRP 139 CO 0.86 -0.49 0.57 -0.65 -4.06 0.00 0.00 176.95 173.18 3kdr s GLN 140 N -4.02 1.37 -0.35 3.25 -1.52 -0.95 -4.91 119.66 112.53 3kdr s GLN 140 Ca 0.21 -0.72 -0.07 0.00 -1.95 0.00 0.00 55.36 52.84 3kdr s GLN 140 Cb 0.07 0.55 0.04 0.00 -0.22 0.00 0.00 33.01 33.46 3kdr s GLN 140 CO -0.00 -0.59 0.12 0.42 -0.25 0.00 0.00 175.29 174.99 3kdr s ILE 141 N -3.83 3.82 0.00 1.08 1.01 -1.26 -1.86 121.20 120.16 3kdr s ILE 141 Ca 0.06 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 59.53 3kdr s ILE 141 Cb -0.01 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.26 3kdr s ILE 141 CO -0.06 -0.23 0.00 -1.84 0.00 0.00 0.00 174.94 172.81 3kdr n GLU 142 N 4.82 1.07 -0.07 2.79 -0.00 -0.48 -4.90 120.64 123.87 3kdr n GLU 142 Ca -0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 57.16 56.99 3kdr n GLU 142 Cb 0.44 0.00 -0.04 0.00 -0.00 0.00 0.00 31.44 31.84 3kdr n GLU 142 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 3kdr h GLU 143 N 0.00 -0.13 0.00 3.44 -0.00 -2.03 -3.35 114.58 112.51 3kdr h GLU 143 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.37 3kdr h GLU 143 Cb 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 28.75 28.78 3kdr h GLU 143 CO 0.00 -0.09 -0.85 -1.71 -0.00 0.00 0.00 179.01 176.36 3kdr n ASN 144 N -3.78 4.27 -4.79 3.06 2.85 -1.26 -5.08 115.26 110.52 3kdr n ASN 144 Ca -0.01 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.14 3kdr n ASN 144 Cb 0.13 0.76 0.04 0.00 1.24 0.00 0.00 39.78 41.95 3kdr n ASN 144 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3kdr s THR 145 N -1.74 3.67 -0.04 -0.44 2.01 -1.26 -5.06 115.64 112.79 3kdr s THR 145 Ca 0.00 0.69 0.05 0.00 0.31 0.00 0.00 61.69 62.74 3kdr s THR 145 Cb 0.00 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.23 3kdr s THR 145 CO 0.00 -0.57 -0.18 -0.69 -0.69 0.00 0.00 174.62 172.49 3kdr s VAL 146 N -2.64 2.77 -0.06 3.82 1.01 -1.26 -1.38 120.40 122.65 3kdr s VAL 146 Ca 0.63 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.76 3kdr s VAL 146 Cb -0.17 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.17 3kdr s VAL 146 CO 0.45 0.57 -0.08 -0.13 0.00 0.00 0.00 175.10 175.92 3kdr s ARG 147 N -0.74 1.25 -0.19 2.72 0.52 -0.78 -1.04 118.95 120.68 3kdr s ARG 147 Ca 0.11 -0.24 -0.02 0.00 -0.52 0.00 0.00 55.73 55.06 3kdr s ARG 147 Cb -0.10 -1.15 -0.01 0.00 0.52 0.00 0.00 34.95 34.21 3kdr s ARG 147 CO 0.00 -0.06 -0.08 0.08 0.02 0.00 0.00 175.30 175.26 3kdr s VAL 148 N 0.94 3.21 -1.55 3.52 1.01 -0.59 -2.25 120.40 124.69 3kdr s VAL 148 Ca -0.10 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3kdr s VAL 148 Cb -0.15 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.81 3kdr s VAL 148 CO 0.01 0.46 0.00 0.59 0.00 0.00 0.00 175.10 176.16 3kdr n ASN 149 N 4.36 -4.90 0.00 3.32 3.02 -0.46 -2.10 115.26 118.50 3kdr n ASN 149 Ca -0.18 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 3kdr n ASN 149 Cb 0.51 -3.92 0.00 0.00 -0.61 0.00 0.00 39.78 35.76 3kdr n ASN 149 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kdr n GLY 150 N -1.00 2.95 3.65 7.41 0.00 -1.26 -5.02 105.19 111.92 3kdr n GLY 150 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3kdr n GLY 150 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kdr s LYS 151 N -0.31 4.18 0.39 1.61 0.00 -0.89 -5.01 119.74 119.72 3kdr s LYS 151 Ca 0.00 0.70 -0.27 0.00 0.00 0.00 0.00 55.97 56.40 3kdr s LYS 151 Cb 0.00 -3.61 -0.10 0.00 0.00 0.00 0.00 37.83 34.11 3kdr s LYS 151 CO 0.00 -0.36 1.49 0.00 0.00 0.00 0.00 175.35 176.47 3kdr s ALA 152 N 2.32 3.51 0.19 0.59 0.00 -1.26 -1.55 121.76 125.55 3kdr s ALA 152 Ca 0.30 1.57 0.09 0.00 0.00 0.00 0.00 51.96 53.93 3kdr s ALA 152 Cb -0.16 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 3kdr s ALA 152 CO 0.09 -1.11 -0.19 0.08 0.00 0.00 0.00 175.76 174.63 3kdr s VAL 153 N -1.14 1.96 0.10 0.00 1.01 -0.21 -4.88 120.40 117.25 3kdr s VAL 153 Ca 0.55 -2.04 -0.30 0.00 0.00 0.00 0.00 61.98 60.18 3kdr s VAL 153 Cb -0.46 -1.97 -0.06 0.00 0.00 0.00 0.00 36.38 33.88 3kdr s VAL 153 CO 0.62 -0.34 1.17 -0.62 0.00 0.00 0.00 175.10 175.94 3kdr s ASP 154 N -2.87 7.12 0.00 3.32 3.68 -1.26 -4.57 116.67 122.09 3kdr s ASP 154 Ca 0.19 2.06 0.00 0.00 2.13 0.00 0.00 52.55 56.93 3kdr s ASP 154 Cb -0.05 -2.59 0.00 0.00 -1.45 0.00 0.00 42.92 38.83 3kdr s ASP 154 CO 0.08 -0.40 0.03 -2.65 0.13 0.00 0.00 175.17 172.36 3kdr n PRO 155 N 3.39 0.00 -0.10 4.34 -0.02 -1.26 -4.14 135.00 137.21 3kdr n PRO 155 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3kdr n PRO 155 Cb 0.46 -0.87 0.00 0.00 -0.02 0.00 0.00 33.50 33.07 3kdr n PRO 155 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kdr n GLU 157 N 1.47 0.00 -3.86 -0.52 1.02 -1.26 -4.72 120.64 112.77 3kdr n GLU 157 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 3kdr n GLU 157 Cb 0.00 -1.69 -0.10 0.00 -0.02 0.00 0.00 31.44 29.62 3kdr n GLU 157 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3kdr s VAL 158 N -0.22 0.07 -0.17 2.62 0.11 -1.26 -0.92 120.40 120.63 3kdr s VAL 158 Ca 0.00 -0.54 -0.01 0.00 -2.93 0.00 0.00 61.98 58.50 3kdr s VAL 158 Cb 0.00 -0.38 0.05 0.00 -1.53 0.00 0.00 36.38 34.52 3kdr s VAL 158 CO 0.00 -0.30 -0.04 0.00 -3.33 0.00 0.00 175.10 171.44 3kdr s ILE 160 N 1.66 4.97 0.01 0.00 1.01 -1.26 0.05 121.20 127.64 3kdr s ILE 160 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.68 3kdr s ILE 160 Cb -0.16 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 3kdr s ILE 160 CO -0.07 0.59 -0.03 -0.36 0.00 0.00 0.00 174.94 175.07 3kdr s PHE 161 N -0.74 3.00 -0.01 3.97 0.40 0.21 -4.95 117.98 119.86 3kdr s PHE 161 Ca 0.13 0.03 0.05 0.00 -0.60 0.00 0.00 56.93 56.53 3kdr s PHE 161 Cb -0.12 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 3kdr s PHE 161 CO 0.03 0.43 -0.15 0.08 0.70 0.00 0.00 175.22 176.31 3kdr s VAL 162 N -1.07 3.04 0.00 -0.44 1.01 -1.26 -1.64 120.40 120.04 3kdr s VAL 162 Ca 0.19 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.26 3kdr s VAL 162 Cb -0.11 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.03 3kdr s VAL 162 CO 0.10 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3kdr n GLY 163 N 1.91 1.34 0.90 4.51 0.00 -0.35 -4.80 105.19 108.71 3kdr n GLY 163 Ca -0.16 -1.90 0.12 0.00 0.00 0.00 0.00 46.02 44.08 3kdr n GLY 163 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kdr n ILE 164 N 0.00 0.11 -3.56 -0.61 -5.35 -1.26 -4.97 119.36 103.72 3kdr n ILE 164 Ca 0.00 -0.50 -0.00 0.00 -0.27 0.00 0.00 62.75 61.98 3kdr n ILE 164 Cb 0.00 1.17 0.00 0.00 -1.74 0.00 0.00 39.64 39.07 3kdr n ILE 164 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kdr n HIS 165 N 1.13 -0.51 0.55 4.28 1.44 -1.26 -5.02 115.22 115.83 3kdr n HIS 165 Ca 0.16 -0.07 0.08 0.00 -2.01 0.00 0.00 57.72 55.87 3kdr n HIS 165 Cb 0.55 0.04 0.34 0.00 0.12 0.00 0.00 29.99 31.03 3kdr n HIS 165 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kdr n GLY 166 N -0.05 -1.05 0.00 -1.39 0.00 -1.26 -4.46 105.19 96.97 3kdr n GLY 166 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3kdr n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdr n GLY 167 N 0.15 2.69 0.34 -0.02 0.00 -1.26 -3.55 105.19 103.53 3kdr n GLY 167 Ca 0.04 -1.72 -0.02 0.00 0.00 0.00 0.00 46.02 44.32 3kdr n GLY 167 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kdr h LEU 168 N 0.00 0.97 -2.30 0.99 3.38 -0.22 -1.37 115.31 116.76 3kdr h LEU 168 Ca 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3kdr h LEU 168 Cb 0.00 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3kdr h LEU 168 CO 0.00 0.79 -0.03 -0.07 0.09 0.00 0.00 178.44 179.22 3kdr h LEU 169 N 1.08 0.00 0.00 1.67 3.38 -1.61 0.87 115.31 120.70 3kdr h LEU 169 Ca 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3kdr h LEU 169 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3kdr h LEU 169 CO -0.04 0.03 -0.14 0.74 0.09 0.00 0.00 178.44 179.13 3kdr h THR 170 N 0.00 0.22 0.04 0.22 2.02 -1.49 -3.37 112.91 110.54 3kdr h THR 170 Ca -0.00 -1.18 -0.23 0.00 0.77 0.00 0.00 66.41 65.77 3kdr h THR 170 Cb 0.09 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 3kdr h THR 170 CO 0.00 0.07 -1.00 0.45 0.37 0.00 0.00 175.52 175.42 3kdr h HIS 171 N -1.00 0.41 -0.61 3.16 3.86 -1.07 -3.35 115.15 116.55 3kdr h HIS 171 Ca -0.01 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 3kdr h HIS 171 Cb 0.24 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.68 3kdr h HIS 171 CO -0.01 1.10 0.00 0.00 0.86 0.00 0.00 177.93 179.88 3kdr n ALA 172 N -2.49 3.57 -0.06 2.45 0.00 0.30 -4.58 120.51 119.70 3kdr n ALA 172 Ca -0.05 -1.81 -0.10 0.00 0.00 0.00 0.00 53.44 51.48 3kdr n ALA 172 Cb 0.88 -1.08 -0.04 0.00 0.00 0.00 0.00 19.45 19.22 3kdr n ALA 172 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kdr h SER 173 N 4.04 0.28 -0.45 0.00 0.87 -1.69 -1.58 113.55 115.02 3kdr h SER 173 Ca 0.00 -0.10 0.06 0.00 -1.23 0.00 0.00 61.79 60.52 3kdr h SER 173 Cb 1.78 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 63.61 3kdr h SER 173 CO 0.39 0.30 0.14 -0.33 -0.53 0.00 0.00 176.83 176.80 3kdr h GLU 174 N 0.24 0.29 -0.27 2.24 5.08 -1.86 -0.40 114.58 119.90 3kdr h GLU 174 Ca 0.08 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 3kdr h GLU 174 Cb 0.09 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3kdr h GLU 174 CO -0.01 0.19 -0.48 1.15 -1.00 0.00 0.00 179.01 178.86 3kdr h THR 175 N 0.30 1.29 -0.54 1.13 2.02 -1.83 0.11 112.91 115.38 3kdr h THR 175 Ca 0.22 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 65.72 3kdr h THR 175 Cb 0.24 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 3kdr h THR 175 CO -0.24 0.54 0.34 -0.26 0.37 0.00 0.00 175.52 176.27 3kdr h PHE 176 N 0.56 0.70 -0.64 3.16 0.04 -1.22 -0.28 116.94 119.26 3kdr h PHE 176 Ca 0.02 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.81 3kdr h PHE 176 Cb 1.09 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.97 3kdr h PHE 176 CO 0.08 0.47 0.40 1.15 -0.60 0.00 0.00 178.31 179.81 3kdr h THR 177 N 0.73 1.10 -0.60 -1.55 2.02 -0.65 -1.58 112.91 112.39 3kdr h THR 177 Ca 0.20 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 3kdr h THR 177 Cb -0.04 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.58 3kdr h THR 177 CO -0.04 0.15 0.17 0.44 0.37 0.00 0.00 175.52 176.61 3kdr h ASP 178 N 0.80 0.86 -0.06 4.18 5.19 -0.64 -0.56 116.42 126.18 3kdr h ASP 178 Ca 0.25 -0.15 -0.16 0.00 -0.62 0.00 0.00 57.03 56.35 3kdr h ASP 178 Cb -0.01 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.27 3kdr h ASP 178 CO -0.09 0.82 -0.49 0.00 -3.12 0.00 0.00 179.24 176.36 3kdr h ALA 179 N 1.29 0.70 -0.10 3.45 0.00 -0.39 -1.41 119.26 122.80 3kdr h ALA 179 Ca 0.20 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 3kdr h ALA 179 Cb 0.28 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kdr h ALA 179 CO -0.01 0.68 -0.18 -0.09 0.00 0.00 0.00 179.25 179.65 3kdr h ARG 180 N 0.49 0.30 -0.08 0.00 1.12 -1.20 -3.23 114.38 111.78 3kdr h ARG 180 Ca 0.02 -0.19 -0.03 0.00 -1.11 0.00 0.00 59.98 58.67 3kdr h ARG 180 Cb 1.04 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 31.01 3kdr h ARG 180 CO 0.10 0.77 -0.11 -0.91 -3.11 0.00 0.00 179.97 176.71 3kdr h ASN 181 N -0.13 0.11 -0.47 -3.80 2.35 -0.86 -2.68 115.58 110.10 3kdr h ASN 181 Ca 0.01 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 3kdr h ASN 181 Cb 0.75 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 3kdr h ASN 181 CO 0.04 0.24 -0.12 0.25 -1.65 0.00 0.00 177.43 176.19 3kdr h LEU 182 N 0.12 0.92 -1.11 1.61 6.46 -1.28 1.06 115.31 123.09 3kdr h LEU 182 Ca 0.03 -0.36 -0.09 0.00 -0.12 0.00 0.00 57.88 57.34 3kdr h LEU 182 Cb 0.27 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 3kdr h LEU 182 CO 0.02 1.07 -0.31 0.58 -0.62 0.00 0.00 178.44 179.18 3kdr h VAL 183 N 0.76 1.26 -0.14 1.05 2.07 -1.53 -1.09 116.25 118.62 3kdr h VAL 183 Ca 0.12 -1.25 -0.19 0.00 0.82 0.00 0.00 66.70 66.20 3kdr h VAL 183 Cb 0.68 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3kdr h VAL 183 CO 0.05 0.38 -0.67 0.03 0.02 0.00 0.00 177.57 177.37 3kdr h ARG 184 N 0.21 0.56 -0.06 1.57 3.08 -0.88 -2.61 114.38 116.26 3kdr h ARG 184 Ca 0.03 -0.42 0.01 0.00 0.07 0.00 0.00 59.98 59.67 3kdr h ARG 184 Cb 0.65 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 3kdr h ARG 184 CO 0.05 1.04 -0.01 0.00 -1.07 0.00 0.00 179.97 179.98 3kdr h ALA 185 N 0.85 0.04 -0.59 0.04 0.00 0.18 -1.91 119.26 117.87 3kdr h ALA 185 Ca -0.02 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3kdr h ALA 185 Cb 1.25 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 3kdr h ALA 185 CO 0.13 -0.49 0.39 0.00 0.00 0.00 0.00 179.25 179.28 3kdr h ALA 186 N 1.05 1.69 -0.18 0.00 0.00 -1.13 -0.72 119.26 119.97 3kdr h ALA 186 Ca 0.03 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 3kdr h ALA 186 Cb 0.04 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kdr h ALA 186 CO -0.05 0.25 -0.72 0.00 0.00 0.00 0.00 179.25 178.73 3kdr h ALA 187 N 1.66 0.33 -0.40 0.00 0.00 -1.16 -1.01 119.26 118.68 3kdr h ALA 187 Ca 0.23 -0.58 0.01 0.00 0.00 0.00 0.00 54.91 54.58 3kdr h ALA 187 Cb 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3kdr h ALA 187 CO -0.06 0.67 0.25 0.00 0.00 0.00 0.00 179.25 180.11 3kdr h ARG 188 N 0.56 0.50 -0.02 0.00 3.08 -0.64 -3.20 114.38 114.66 3kdr h ARG 188 Ca -0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3kdr h ARG 188 Cb 1.35 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3kdr h ARG 188 CO 0.15 0.33 -0.07 1.33 -1.07 0.00 0.00 179.97 180.64 3kdr n VAL 189 N -4.83 0.00 -0.25 2.04 0.24 -0.34 -2.73 118.33 112.46 3kdr n VAL 189 Ca 0.01 -0.26 -0.05 0.00 -2.04 0.00 0.00 64.34 62.00 3kdr n VAL 189 Cb 0.04 0.64 0.10 0.00 -1.47 0.00 0.00 33.84 33.15 3kdr n VAL 189 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kdr h ALA 190 N 4.25 1.08 0.00 2.33 0.00 -1.17 -3.13 119.26 122.61 3kdr h ALA 190 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3kdr h ALA 190 Cb 0.58 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kdr h ALA 190 CO 0.00 0.64 -1.29 1.04 0.00 0.00 0.00 179.25 179.64 3kdr n GLN 191 N -4.27 0.94 -3.29 0.00 6.02 -1.25 -4.74 117.38 110.80 3kdr n GLN 191 Ca 0.06 -0.08 -0.26 0.00 -0.01 0.00 0.00 57.00 56.72 3kdr n GLN 191 Cb 0.21 -1.20 -0.07 0.00 1.02 0.00 0.00 30.24 30.20 3kdr n GLN 191 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kdr n ASN 192 N -1.75 2.74 0.29 1.08 3.02 -1.11 -4.95 115.26 114.58 3kdr n ASN 192 Ca -0.01 -3.25 0.16 0.00 -0.03 0.00 0.00 54.58 51.44 3kdr n ASN 192 Cb 0.25 -0.65 0.86 0.00 -0.61 0.00 0.00 39.78 39.63 3kdr n ASN 192 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3kdr h PRO 193 N 3.92 0.00 -5.28 3.52 0.11 -1.81 -3.39 132.00 129.07 3kdr h PRO 193 Ca 0.15 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.64 3kdr h PRO 193 Cb 0.72 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 31.69 3kdr h PRO 193 CO 0.72 0.06 -0.18 0.00 -0.21 0.00 0.00 178.00 178.39 3kdr s ALA 194 N -4.18 3.57 0.16 -0.75 0.00 -1.26 -0.38 121.76 118.92 3kdr s ALA 194 Ca -0.03 -0.68 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 3kdr s ALA 194 Cb 0.13 -2.72 -0.00 0.00 0.00 0.00 0.00 23.12 20.53 3kdr s ALA 194 CO 0.54 -0.56 1.38 0.00 0.00 0.00 0.00 175.76 177.12 3kdr h ALA 195 N 7.88 0.51 -3.43 0.00 0.00 -1.23 -3.44 119.26 119.55 3kdr h ALA 195 Ca -0.33 -0.69 -0.67 0.00 0.00 0.00 0.00 54.91 53.23 3kdr h ALA 195 Cb 1.16 -0.06 -0.28 0.00 0.00 0.00 0.00 17.79 18.61 3kdr h ALA 195 CO 0.68 0.84 -0.80 -1.17 0.00 0.00 0.00 179.25 178.81 3kdr s LEU 196 N -7.65 2.55 -0.09 0.00 2.96 -1.02 -5.04 118.68 110.40 3kdr s LEU 196 Ca -0.04 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.54 3kdr s LEU 196 Cb 0.10 -1.55 -0.00 0.00 0.50 0.00 0.00 46.19 45.23 3kdr s LEU 196 CO 0.84 0.19 -0.23 -0.63 -1.32 0.00 0.00 176.35 175.19 3kdr s ILE 197 N 0.21 2.14 -0.11 6.68 -1.09 -1.26 -0.48 121.20 127.29 3kdr s ILE 197 Ca -0.10 -1.01 0.00 0.00 -2.23 0.00 0.00 60.65 57.32 3kdr s ILE 197 Cb -0.16 -1.81 -0.02 0.00 -1.58 0.00 0.00 42.46 38.90 3kdr s ILE 197 CO 0.06 0.56 -0.11 -0.70 -1.23 0.00 0.00 174.94 173.52 3kdr s GLU 198 N 0.17 3.17 -0.23 2.79 2.12 0.48 -4.98 118.70 122.21 3kdr s GLU 198 Ca -0.13 -0.65 -0.07 0.00 0.36 0.00 0.00 54.97 54.48 3kdr s GLU 198 Cb -0.16 -2.61 -0.03 0.00 0.26 0.00 0.00 34.13 31.59 3kdr s GLU 198 CO 0.07 0.36 0.05 -0.51 -0.54 0.00 0.00 175.26 174.69 3kdr s LEU 199 N -0.01 3.41 -0.18 2.70 1.43 -1.26 -1.13 118.68 123.63 3kdr s LEU 199 Ca -0.03 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3kdr s LEU 199 Cb -0.14 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.21 3kdr s LEU 199 CO 0.04 0.00 -0.18 -0.60 0.23 0.00 0.00 176.35 175.84 3kdr s ARG 200 N 1.38 2.82 0.07 1.70 3.52 -0.05 -4.94 118.95 123.46 3kdr s ARG 200 Ca 0.05 -0.80 -0.26 0.00 -0.13 0.00 0.00 55.73 54.58 3kdr s ARG 200 Cb -0.15 -2.50 -0.06 0.00 -1.56 0.00 0.00 34.95 30.69 3kdr s ARG 200 CO 0.03 -0.23 0.82 -1.14 -0.81 0.00 0.00 175.30 173.96 3kdr s GLN 201 N 1.32 4.56 0.00 5.12 0.74 -1.26 -1.20 119.66 128.94 3kdr s GLN 201 Ca 0.04 1.18 0.00 0.00 0.05 0.00 0.00 55.36 56.63 3kdr s GLN 201 Cb -0.13 -3.36 0.00 0.00 1.10 0.00 0.00 33.01 30.62 3kdr s GLN 201 CO -0.12 0.29 0.00 0.25 -0.55 0.00 0.00 175.29 175.16 3kdr n THR 202 N 2.69 0.00 -1.05 -0.34 -2.24 -1.24 -4.97 114.28 107.13 3kdr n THR 202 Ca -0.01 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.47 3kdr n THR 202 Cb 0.50 -0.25 0.25 0.00 -2.10 0.00 0.00 70.33 68.72 3kdr n THR 202 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3kdr n ASN 203 N -1.64 -2.08 -0.27 3.42 6.94 -1.26 -5.01 115.26 115.36 3kdr n ASN 203 Ca 0.00 -1.16 0.03 0.00 -0.02 0.00 0.00 54.58 53.43 3kdr n ASN 203 Cb 0.24 -0.99 0.08 0.00 -2.36 0.00 0.00 39.78 36.74 3kdr n ASN 203 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3kdr n ASN 204 N -4.85 2.44 -4.63 0.53 3.02 -1.26 -5.03 115.26 105.48 3kdr n ASN 204 Ca 0.15 -2.12 -0.42 0.00 -0.03 0.00 0.00 54.58 52.16 3kdr n ASN 204 Cb 0.58 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 3kdr n ASN 204 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kdr n ALA 205 N -0.21 0.40 -2.63 5.41 0.00 -1.26 -4.98 120.51 117.25 3kdr n ALA 205 Ca 0.06 0.28 -0.39 0.00 0.00 0.00 0.00 53.44 53.39 3kdr n ALA 205 Cb 0.37 -2.12 -0.08 0.00 0.00 0.00 0.00 19.45 17.62 3kdr n ALA 205 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3kdr s GLN 206 N -1.93 4.08 -0.05 0.00 -1.52 -1.26 -5.08 119.66 113.91 3kdr s GLN 206 Ca 0.61 0.23 0.04 0.00 -1.95 0.00 0.00 55.36 54.28 3kdr s GLN 206 Cb -0.58 -3.63 -0.02 0.00 -0.22 0.00 0.00 33.01 28.56 3kdr s GLN 206 CO 0.58 -0.26 -0.15 -0.51 -0.25 0.00 0.00 175.29 174.70 3kdr s LEU 207 N 2.02 2.69 0.77 2.90 1.43 -1.26 -5.10 118.68 122.13 3kdr s LEU 207 Ca 0.19 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 52.95 3kdr s LEU 207 Cb -0.16 -1.54 0.06 0.00 0.03 0.00 0.00 46.19 44.58 3kdr s LEU 207 CO 0.09 0.34 1.13 -0.94 0.23 0.00 0.00 176.35 177.19 3kdr s SER 208 N -0.68 4.27 0.30 2.29 1.04 -1.26 -4.81 113.70 114.85 3kdr s SER 208 Ca 0.10 2.03 0.01 0.00 0.48 0.00 0.00 55.95 58.58 3kdr s SER 208 Cb -0.11 -2.55 0.73 0.00 0.10 0.00 0.00 66.02 64.20 3kdr s SER 208 CO 0.01 -2.20 1.59 -0.65 0.98 0.00 0.00 173.24 172.96 3kdr h PRO 209 N -0.87 0.04 -0.57 4.02 0.11 -1.99 -1.34 132.00 131.39 3kdr h PRO 209 Ca -0.45 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 3kdr h PRO 209 Cb 1.25 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3kdr h PRO 209 CO 0.50 0.03 0.07 0.22 -0.21 0.00 0.00 178.00 178.61 3kdr h ASP 210 N 0.04 0.93 -0.41 -2.05 3.58 -1.98 0.94 116.42 117.46 3kdr h ASP 210 Ca 0.58 -0.27 0.08 0.00 0.42 0.00 0.00 57.03 57.84 3kdr h ASP 210 Cb 1.20 -0.25 -0.08 0.00 1.72 0.00 0.00 39.33 41.92 3kdr h ASP 210 CO -0.86 0.96 -0.10 0.44 -2.88 0.00 0.00 179.24 176.80 3kdr h ASP 211 N 0.86 -0.37 0.14 2.28 3.32 -1.61 0.22 116.42 121.26 3kdr h ASP 211 Ca 0.17 0.12 -0.18 0.00 0.02 0.00 0.00 57.03 57.16 3kdr h ASP 211 Cb 0.44 0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 3kdr h ASP 211 CO 0.01 -0.13 -0.69 -0.37 -1.72 0.00 0.00 179.24 176.35 3kdr h VAL 212 N 0.00 1.35 -0.68 -1.35 -1.51 -0.98 -0.96 116.25 112.12 3kdr h VAL 212 Ca 0.20 -2.02 0.07 0.00 -1.23 0.00 0.00 66.70 63.72 3kdr h VAL 212 Cb 0.30 2.00 -0.06 0.00 -2.13 0.00 0.00 31.29 31.39 3kdr h VAL 212 CO -0.42 0.62 0.35 0.44 -1.23 0.00 0.00 177.57 177.33 3kdr h ASP 213 N 0.35 0.49 -0.53 4.19 3.32 -0.15 -0.36 116.42 123.73 3kdr h ASP 213 Ca -0.02 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3kdr h ASP 213 Cb 1.26 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 3kdr h ASP 213 CO 0.12 0.30 0.34 0.03 -1.72 0.00 0.00 179.24 178.32 3kdr h ARG 214 N 0.63 0.71 -0.34 3.56 3.08 -0.37 -1.78 114.38 119.86 3kdr h ARG 214 Ca 0.32 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 3kdr h ARG 214 Cb 0.27 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3kdr h ARG 214 CO -0.22 0.49 0.19 0.82 -1.07 0.00 0.00 179.97 180.17 3kdr h ILE 215 N 0.72 1.14 -0.71 2.04 2.04 0.16 -1.68 117.51 121.21 3kdr h ILE 215 Ca 0.19 -0.36 0.07 0.00 1.00 0.00 0.00 64.86 65.76 3kdr h ILE 215 Cb -0.06 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 3kdr h ILE 215 CO -0.04 0.14 0.40 0.40 0.00 0.00 0.00 178.15 179.05 3kdr h ILE 216 N 0.43 0.96 -0.67 -0.67 2.04 -1.00 -3.03 117.51 115.57 3kdr h ILE 216 Ca 0.12 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 3kdr h ILE 216 Cb 0.06 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 3kdr h ILE 216 CO -0.02 0.13 0.25 0.78 0.00 0.00 0.00 178.15 179.29 3kdr h ASN 217 N 0.73 0.92 -0.99 1.72 2.35 -0.40 -1.56 115.58 118.35 3kdr h ASN 217 Ca 0.32 -0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 3kdr h ASN 217 Cb 0.22 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.30 3kdr h ASN 217 CO -0.20 0.83 0.65 1.23 -1.65 0.00 0.00 177.43 178.29 3kdr h GLY 218 N 1.06 1.40 2.00 2.83 0.00 -1.37 -2.23 103.07 106.77 3kdr h GLY 218 Ca 0.22 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 3kdr h GLY 218 CO -0.02 0.52 -0.01 -0.97 0.00 0.00 0.00 176.54 176.07 3kdr h TYR 219 N 1.35 0.00 -0.11 5.60 0.05 -1.31 -2.19 116.97 120.35 3kdr h TYR 219 Ca 0.36 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 59.04 3kdr h TYR 219 Cb -0.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.60 3kdr h TYR 219 CO 0.00 0.01 -0.34 0.28 -1.05 0.00 0.00 178.16 177.06 3kdr h VAL 220 N 0.00 1.39 -0.40 -2.88 2.07 -0.91 -2.21 116.25 113.31 3kdr h VAL 220 Ca -0.00 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.85 3kdr h VAL 220 Cb 0.77 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 3kdr h VAL 220 CO 0.00 0.49 0.22 0.00 0.02 0.00 0.00 177.57 178.30 3kdr h ALA 221 N 0.49 0.51 -0.99 1.67 0.00 -1.27 0.16 119.26 119.83 3kdr h ALA 221 Ca -0.01 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3kdr h ALA 221 Cb 0.96 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 3kdr h ALA 221 CO 0.07 0.04 0.66 0.00 0.00 0.00 0.00 179.25 180.02 3kdr h ALA 222 N 1.07 1.32 -0.11 0.00 0.00 -1.41 0.26 119.26 120.39 3kdr h ALA 222 Ca 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3kdr h ALA 222 Cb 0.06 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 3kdr h ALA 222 CO -0.02 0.61 0.01 0.00 0.00 0.00 0.00 179.25 179.85 3kdr h ARG 223 N 1.31 0.19 -0.19 0.00 3.08 -0.88 -2.80 114.38 115.08 3kdr h ARG 223 Ca 0.38 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.38 3kdr h ARG 223 Cb -0.08 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.95 3kdr h ARG 223 CO -0.10 0.41 0.00 0.54 -1.07 0.00 0.00 179.97 179.75 3kdr n ARG 224 N -4.83 0.50 0.00 0.04 1.74 0.51 -4.76 116.66 109.86 3kdr n ARG 224 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3kdr n ARG 224 Cb 0.18 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 3kdr n ARG 224 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kdr n GLY 225 N 0.09 0.81 3.72 -0.13 0.00 -0.81 -5.01 105.19 103.86 3kdr n GLY 225 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3kdr n GLY 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kdr n ARG 226 N -1.68 2.45 -3.11 1.61 1.74 0.85 -1.47 116.66 117.05 3kdr n ARG 226 Ca 0.00 0.87 -0.21 0.00 -0.77 0.00 0.00 57.85 57.74 3kdr n ARG 226 Cb 0.00 -2.58 0.00 0.00 -1.02 0.00 0.00 32.46 28.86 3kdr n ARG 226 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3kdr n ASN 227 N 1.74 -4.33 -3.65 0.55 5.03 -1.26 -1.74 115.26 111.60 3kdr n ASN 227 Ca 0.08 -0.25 -0.27 0.00 0.87 0.00 0.00 54.58 55.00 3kdr n ASN 227 Cb 0.36 -3.57 0.02 0.00 -1.02 0.00 0.00 39.78 35.56 3kdr n ASN 227 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3kdr n SER 228 N -2.25 -4.69 -0.25 6.41 3.41 -0.54 -2.08 113.62 113.62 3kdr n SER 228 Ca -0.06 -0.61 -0.01 0.00 -0.26 0.00 0.00 58.87 57.92 3kdr n SER 228 Cb 0.57 -3.78 0.00 0.00 -0.26 0.00 0.00 64.21 60.74 3kdr n SER 228 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kdr n GLY 229 N -1.53 0.40 3.59 5.00 0.00 -0.71 -5.04 105.19 106.91 3kdr n GLY 229 Ca 0.01 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 3kdr n GLY 229 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kdr s VAL 230 N -2.22 4.26 0.10 1.61 1.01 -0.88 -4.94 120.40 119.33 3kdr s VAL 230 Ca 0.01 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.77 3kdr s VAL 230 Cb -0.00 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 3kdr s VAL 230 CO 0.01 0.52 -0.08 -0.83 0.00 0.00 0.00 175.10 174.72 3kdr s GLY 231 N -0.03 0.79 -0.16 4.51 0.00 -1.26 -4.77 107.32 106.40 3kdr s GLY 231 Ca 0.03 -1.24 0.01 0.00 0.00 0.00 0.00 44.72 43.52 3kdr s GLY 231 CO 0.02 -1.33 -0.19 -0.12 0.00 0.00 0.00 173.10 171.48 3kdr s PHE 232 N -2.93 2.74 -0.28 1.90 5.36 -1.26 -5.09 117.98 118.42 3kdr s PHE 232 Ca 0.08 -1.34 -0.09 0.00 -0.96 0.00 0.00 56.93 54.61 3kdr s PHE 232 Cb 0.00 -1.87 -0.03 0.00 -0.34 0.00 0.00 43.02 40.78 3kdr s PHE 232 CO -0.02 -0.63 0.14 -1.12 -1.46 0.00 0.00 175.22 172.13 3kdr s SER 233 N 0.97 5.61 0.07 6.13 0.01 -1.26 -5.01 113.70 120.23 3kdr s SER 233 Ca -0.03 -0.18 -0.10 0.00 1.31 0.00 0.00 55.95 56.96 3kdr s SER 233 Cb -0.15 -2.03 -0.26 0.00 0.21 0.00 0.00 66.02 63.79 3kdr s SER 233 CO -0.05 -0.07 1.14 -1.28 0.41 0.00 0.00 173.24 173.39 3kdr h SER 234 N 8.32 0.67 -0.69 2.44 0.87 -1.99 -3.43 113.55 119.75 3kdr h SER 234 Ca -0.36 -0.65 0.01 0.00 -1.23 0.00 0.00 61.79 59.56 3kdr h SER 234 Cb 1.18 -0.21 -0.18 0.00 -0.44 0.00 0.00 62.40 62.74 3kdr h SER 234 CO 0.57 1.48 -0.32 -0.55 -0.53 0.00 0.00 176.83 177.48 3kdr s SER 235 N -7.31 -1.06 0.00 6.23 0.15 -1.26 -4.82 113.70 105.62 3kdr s SER 235 Ca -0.07 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.00 3kdr s SER 235 Cb 0.06 1.36 0.00 0.00 -1.71 0.00 0.00 66.02 65.74 3kdr s SER 235 CO 0.91 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.85 3kdr n GLY 236 N 4.06 3.14 3.77 9.45 0.00 -1.26 -4.34 105.19 120.00 3kdr n GLY 236 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3kdr n GLY 236 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kdr s LEU 237 N 0.00 4.05 -0.02 0.99 2.96 -1.26 -3.62 118.68 121.78 3kdr s LEU 237 Ca 0.00 2.50 0.04 0.00 -0.22 0.00 0.00 54.13 56.45 3kdr s LEU 237 Cb 0.00 -4.13 -0.01 0.00 0.50 0.00 0.00 46.19 42.55 3kdr s LEU 237 CO 0.00 -1.01 -0.13 -1.61 -1.32 0.00 0.00 176.35 172.28 3kdr s GLU 238 N -2.58 1.18 0.16 1.98 2.02 -0.34 -4.71 118.70 116.41 3kdr s GLU 238 Ca 0.63 -0.46 -0.15 0.00 0.02 0.00 0.00 54.97 55.01 3kdr s GLU 238 Cb -0.34 -1.11 -0.07 0.00 0.10 0.00 0.00 34.13 32.71 3kdr s GLU 238 CO 0.42 0.24 0.58 0.14 0.02 0.00 0.00 175.26 176.65 3kdr s VAL 239 N -0.13 4.81 -0.02 2.63 -7.23 -1.26 -0.87 120.40 118.33 3kdr s VAL 239 Ca 0.02 0.89 0.00 0.00 -1.81 0.00 0.00 61.98 61.08 3kdr s VAL 239 Cb -0.07 -3.75 0.03 0.00 0.56 0.00 0.00 36.38 33.14 3kdr s VAL 239 CO 0.00 0.24 0.01 -1.00 -0.31 0.00 0.00 175.10 174.03 3kdr s HIS 240 N -1.48 0.22 -0.12 2.82 3.76 -0.28 -4.99 115.29 115.22 3kdr s HIS 240 Ca 0.39 0.03 -0.07 0.00 -0.15 0.00 0.00 55.06 55.26 3kdr s HIS 240 Cb -0.15 -0.33 -0.04 0.00 1.11 0.00 0.00 32.58 33.17 3kdr s HIS 240 CO 0.19 -0.11 0.13 -1.83 -0.85 0.00 0.00 174.74 172.28 3kdr s GLU 241 N 0.94 3.43 0.22 1.40 -1.05 -1.26 -0.39 118.70 121.98 3kdr s GLU 241 Ca -0.09 -0.15 0.01 0.00 -0.15 0.00 0.00 54.97 54.59 3kdr s GLU 241 Cb -0.12 -3.17 -0.05 0.00 -0.44 0.00 0.00 34.13 30.35 3kdr s GLU 241 CO -0.02 0.76 0.07 -1.01 0.95 0.00 0.00 175.26 176.01 3kdr s HIS 242 N -0.97 1.33 0.39 4.83 3.76 0.37 -4.97 115.29 120.02 3kdr s HIS 242 Ca 0.15 -1.17 0.00 0.00 -0.15 0.00 0.00 55.06 53.88 3kdr s HIS 242 Cb -0.12 -0.75 0.00 0.00 1.11 0.00 0.00 32.58 32.82 3kdr s HIS 242 CO 0.04 -0.37 0.00 0.39 -0.85 0.00 0.00 174.74 173.95 3kdr n GLU 243 N -0.34 -3.30 -4.87 1.40 -0.58 -1.26 -2.44 120.64 109.24 3kdr n GLU 243 Ca -0.02 2.46 -0.32 0.00 -0.42 0.00 0.00 57.16 58.87 3kdr n GLU 243 Cb 0.65 -2.96 -0.13 0.00 -0.57 0.00 0.00 31.44 28.43 3kdr n GLU 243 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kdr s ALA 245 N -3.49 2.54 -0.71 0.62 0.00 0.49 -1.57 121.76 119.65 3kdr s ALA 245 Ca 0.00 -1.09 -0.22 0.00 0.00 0.00 0.00 51.96 50.65 3kdr s ALA 245 Cb 0.00 -0.80 0.08 0.00 0.00 0.00 0.00 23.12 22.40 3kdr s ALA 245 CO 0.00 0.56 1.00 0.15 0.00 0.00 0.00 175.76 177.47 3kdr s LYS 246 N -1.00 3.19 0.16 0.00 -0.14 -1.26 -4.93 119.74 115.76 3kdr s LYS 246 Ca 0.13 -0.98 -0.16 0.00 -1.36 0.00 0.00 55.97 53.60 3kdr s LYS 246 Cb -0.10 -4.36 0.03 0.00 -1.68 0.00 0.00 37.83 31.72 3kdr s LYS 246 CO 0.02 -1.82 1.81 1.49 -0.76 0.00 0.00 175.35 176.10 3kdr h GLU 247 N 9.47 0.54 0.00 1.68 4.81 -2.00 -2.96 114.58 126.11 3kdr h GLU 247 Ca -0.21 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 58.91 3kdr h GLU 247 Cb 1.06 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 3kdr h GLU 247 CO 1.18 0.36 -0.37 -0.91 -0.73 0.00 0.00 179.01 178.54 3kdr h ASN 248 N 0.56 0.00 -0.19 1.04 2.35 -1.99 -1.83 115.58 115.52 3kdr h ASN 248 Ca 0.16 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.73 3kdr h ASN 248 Cb -0.04 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 3kdr h ASN 248 CO -0.05 0.37 -0.56 0.25 -1.65 0.00 0.00 177.43 175.79 3kdr h LEU 249 N 0.00 0.87 -0.25 1.61 5.85 -1.94 0.15 115.31 121.60 3kdr h LEU 249 Ca -0.00 -0.47 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 3kdr h LEU 249 Cb 0.68 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3kdr h LEU 249 CO 0.05 1.25 0.04 -0.07 -0.34 0.00 0.00 178.44 179.36 3kdr h LEU 250 N 0.60 0.41 0.18 2.25 3.38 -1.43 0.12 115.31 120.81 3kdr h LEU 250 Ca 0.01 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3kdr h LEU 250 Cb 1.15 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3kdr h LEU 250 CO 0.12 0.57 -0.15 0.40 0.09 0.00 0.00 178.44 179.47 3kdr h ILE 251 N 0.23 0.67 -0.21 1.22 2.04 -1.20 -1.45 117.51 118.81 3kdr h ILE 251 Ca 0.08 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.77 3kdr h ILE 251 Cb 0.34 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3kdr h ILE 251 CO 0.01 0.00 -0.56 -0.08 0.00 0.00 0.00 178.15 177.52 3kdr h GLU 252 N -0.35 0.64 -0.10 2.37 4.57 -1.01 -2.75 114.58 117.95 3kdr h GLU 252 Ca -0.00 -0.41 -0.04 0.00 -1.18 0.00 0.00 59.36 57.73 3kdr h GLU 252 Cb 0.32 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3kdr h GLU 252 CO -0.02 1.02 -0.10 0.78 -1.18 0.00 0.00 179.01 179.51 3kdr h GLY 253 N 0.96 0.17 0.98 1.92 0.00 -0.63 -2.21 103.07 104.26 3kdr h GLY 253 Ca 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 3kdr h GLY 253 CO 0.11 0.08 0.22 -0.09 0.00 0.00 0.00 176.54 176.86 3kdr h ARG 254 N 0.15 0.80 -0.37 4.80 2.43 -0.95 0.04 114.38 121.28 3kdr h ARG 254 Ca 0.03 -0.14 -0.14 0.00 -0.81 0.00 0.00 59.98 58.92 3kdr h ARG 254 Cb 0.27 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3kdr h ARG 254 CO 0.02 0.70 -0.34 -0.97 -1.51 0.00 0.00 179.97 177.86 3kdr h ASN 255 N 0.73 0.90 -0.57 -3.80 -1.24 -1.56 -2.30 115.58 107.74 3kdr h ASN 255 Ca 0.18 -0.39 0.00 0.00 0.71 0.00 0.00 56.30 56.81 3kdr h ASN 255 Cb 0.19 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 38.96 3kdr h ASN 255 CO -0.02 1.15 0.37 0.00 -1.29 0.00 0.00 177.43 177.64 3kdr h ALA 256 N 0.90 1.57 -0.39 1.57 0.00 -1.18 0.19 119.26 121.92 3kdr h ALA 256 Ca 0.07 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3kdr h ALA 256 Cb 0.90 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3kdr h ALA 256 CO 0.08 0.39 -0.31 0.00 0.00 0.00 0.00 179.25 179.41 3kdr h ALA 257 N 1.63 0.56 -0.61 0.00 0.00 -0.57 -0.68 119.26 119.58 3kdr h ALA 257 Ca 0.21 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3kdr h ALA 257 Cb -0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3kdr h ALA 257 CO -0.04 0.61 0.16 0.00 0.00 0.00 0.00 179.25 179.98 3kdr h ALA 258 N 0.78 1.13 -0.37 0.00 0.00 -0.61 -1.43 119.26 118.76 3kdr h ALA 258 Ca 0.07 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 3kdr h ALA 258 Cb 0.90 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3kdr h ALA 258 CO 0.08 0.59 -0.38 0.28 0.00 0.00 0.00 179.25 179.82 3kdr h VAL 259 N 0.91 1.27 -0.22 0.00 2.07 -0.20 -1.93 116.25 118.15 3kdr h VAL 259 Ca 0.20 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 3kdr h VAL 259 Cb 0.31 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3kdr h VAL 259 CO -0.00 0.52 0.04 0.44 0.02 0.00 0.00 177.57 178.58 3kdr h ASP 260 N 0.73 0.28 -0.14 0.57 5.19 -0.74 -0.76 116.42 121.54 3kdr h ASP 260 Ca 0.06 -0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 56.38 3kdr h ASP 260 Cb 0.97 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.41 3kdr h ASP 260 CO 0.09 0.31 -0.14 0.58 -3.12 0.00 0.00 179.24 176.96 3kdr h VAL 261 N 0.31 1.34 -0.85 -1.35 2.07 -0.92 -1.75 116.25 115.11 3kdr h VAL 261 Ca 0.08 -1.29 0.12 0.00 0.82 0.00 0.00 66.70 66.43 3kdr h VAL 261 Cb 0.15 1.87 -0.08 0.00 -1.52 0.00 0.00 31.29 31.71 3kdr h VAL 261 CO -0.00 0.38 0.47 0.00 0.02 0.00 0.00 177.57 178.44 3kdr h ALA 262 N 0.61 1.26 0.20 1.67 0.00 -0.94 -2.18 119.26 119.89 3kdr h ALA 262 Ca 0.02 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3kdr h ALA 262 Cb 0.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3kdr h ALA 262 CO 0.03 0.02 -0.10 0.00 0.00 0.00 0.00 179.25 179.21 3kdr h ARG 263 N 0.73 -0.26 -1.39 0.00 3.08 -1.00 -0.55 114.38 114.98 3kdr h ARG 263 Ca 0.44 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.51 3kdr h ARG 263 Cb 0.52 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3kdr h ARG 263 CO -0.30 -0.16 0.00 0.00 -1.07 0.00 0.00 179.97 178.44 3kdr n ALA 264 N -2.22 1.54 -1.84 0.04 0.00 -0.67 -4.67 120.51 112.69 3kdr n ALA 264 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.34 3kdr n ALA 264 Cb 0.14 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.58 3kdr n ALA 264 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kdr n ASN 266 N 0.79 -0.24 -4.30 0.00 5.15 -0.27 -5.02 115.26 111.36 3kdr n ASN 266 Ca 0.00 -0.65 -0.27 0.00 -0.60 0.00 0.00 54.58 53.06 3kdr n ASN 266 Cb 0.07 0.09 -0.14 0.00 -0.53 0.00 0.00 39.78 39.27 3kdr n ASN 266 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3kdr s VAL 267 N 0.01 1.90 0.31 3.44 0.11 -0.88 -4.18 120.40 121.11 3kdr s VAL 267 Ca 0.00 -1.40 -0.28 0.00 -2.93 0.00 0.00 61.98 57.37 3kdr s VAL 267 Cb 0.02 -1.66 -0.09 0.00 -1.53 0.00 0.00 36.38 33.12 3kdr s VAL 267 CO -0.01 0.18 1.10 -2.16 -3.33 0.00 0.00 175.10 170.88 3kdr s PRO 268 N -1.47 4.53 0.42 1.54 0.04 -1.26 -4.23 135.00 134.57 3kdr s PRO 268 Ca 0.09 1.77 0.18 0.00 0.04 0.00 0.00 61.00 63.08 3kdr s PRO 268 Cb -0.10 -3.05 1.09 0.00 0.04 0.00 0.00 34.50 32.48 3kdr s PRO 268 CO 0.03 0.12 1.85 0.00 0.04 0.00 0.00 177.00 179.04 3kdr h ALA 269 N 3.53 2.22 -0.13 8.56 0.00 -1.89 0.61 119.26 132.16 3kdr h ALA 269 Ca -0.47 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 3kdr h ALA 269 Cb 1.21 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3kdr h ALA 269 CO 0.66 -0.51 -0.06 0.00 0.00 0.00 0.00 179.25 179.34 3kdr h ALA 270 N 1.61 1.66 0.00 0.00 0.00 -1.91 -0.99 119.26 119.62 3kdr h ALA 270 Ca 0.47 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3kdr h ALA 270 Cb 1.20 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kdr h ALA 270 CO -0.18 0.26 -0.03 0.74 0.00 0.00 0.00 179.25 180.04 3kdr h PHE 271 N 0.19 0.00 -0.27 0.00 0.04 -0.09 -1.38 116.94 115.43 3kdr h PHE 271 Ca 0.04 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.71 3kdr h PHE 271 Cb 0.24 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.33 3kdr h PHE 271 CO 0.00 0.03 -0.07 0.44 -0.60 0.00 0.00 178.31 178.11 3kdr n ILE 272 N -3.28 2.40 -3.80 -0.55 -5.35 -0.88 -4.96 119.36 102.93 3kdr n ILE 272 Ca -0.02 -2.50 -0.28 0.00 -0.27 0.00 0.00 62.75 59.68 3kdr n ILE 272 Cb 0.17 -0.29 0.04 0.00 -1.74 0.00 0.00 39.64 37.82 3kdr n ILE 272 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3kdr n ASP 273 N -0.99 -5.28 -4.87 7.28 9.92 -0.52 -4.99 116.55 117.11 3kdr n ASP 273 Ca 0.28 -0.70 -0.35 0.00 -0.53 0.00 0.00 54.79 53.49 3kdr n ASP 273 Cb 0.94 -4.19 -0.05 0.00 -0.64 0.00 0.00 41.12 37.17 3kdr n ASP 273 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kdr s ALA 274 N -3.29 3.75 -0.13 2.24 0.00 -0.43 -5.00 121.76 118.90 3kdr s ALA 274 Ca 0.64 -0.41 -0.05 0.00 0.00 0.00 0.00 51.96 52.14 3kdr s ALA 274 Cb -0.31 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 3kdr s ALA 274 CO 0.79 0.58 0.05 0.95 0.00 0.00 0.00 175.76 178.12 3kdr s THR 275 N -1.34 4.70 0.00 0.00 -4.23 -1.26 -3.96 115.64 109.54 3kdr s THR 275 Ca 0.31 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 3kdr s THR 275 Cb -0.14 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.66 3kdr s THR 275 CO 0.17 0.56 0.00 0.55 -0.54 0.00 0.00 174.62 175.36 3kdr n VAL 276 N 2.60 0.00 0.00 2.29 3.14 -1.26 -4.97 118.33 120.13 3kdr n VAL 276 Ca -0.18 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 3kdr n VAL 276 Cb 0.53 -0.29 0.00 0.00 -1.06 0.00 0.00 33.84 33.02 3kdr n VAL 276 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3kdr n GLN 284 N -2.32 0.00 -0.65 1.45 6.02 -1.26 -5.23 117.38 115.38 3kdr n GLN 284 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 3kdr n GLN 284 Cb 0.00 0.00 0.18 0.00 1.02 0.00 0.00 30.24 31.44 3kdr n GLN 284 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3kdr n ASN 285 N 0.00 -0.12 -0.24 1.08 2.04 -1.26 -4.79 115.26 111.97 3kdr n ASN 285 Ca 0.00 0.33 0.04 0.00 -0.44 0.00 0.00 54.58 54.51 3kdr n ASN 285 Cb 0.00 -1.43 0.14 0.00 -2.53 0.00 0.00 39.78 35.96 3kdr n ASN 285 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3kdr h ALA 286 N -1.99 0.72 -0.69 -2.53 0.00 -2.02 -2.04 119.26 110.71 3kdr h ALA 286 Ca -0.45 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3kdr h ALA 286 Cb 1.28 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 3kdr h ALA 286 CO 0.41 -0.41 0.21 0.00 0.00 0.00 0.00 179.25 179.46 3kdr h ALA 287 N 1.66 0.91 -0.49 0.00 0.00 -1.97 -2.34 119.26 117.02 3kdr h ALA 287 Ca 0.38 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3kdr h ALA 287 Cb 0.65 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3kdr h ALA 287 CO -0.62 0.59 0.25 0.77 0.00 0.00 0.00 179.25 180.24 3kdr h SER 288 N 1.02 0.36 0.00 0.00 0.02 -1.74 -1.19 113.55 112.02 3kdr h SER 288 Ca 0.22 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3kdr h SER 288 Cb 0.31 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3kdr h SER 288 CO -0.01 0.25 0.00 0.54 -1.14 0.00 0.00 176.83 176.48 3kdr n ARG 289 N -4.89 0.61 0.00 3.45 1.74 -0.88 -1.36 116.66 115.33 3kdr n ARG 289 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3kdr n ARG 289 Cb 0.12 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 3kdr n ARG 289 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3kdr n ILE 291 N 0.80 0.00 -0.21 0.55 5.41 -0.45 -0.03 119.36 125.43 3kdr n ILE 291 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 3kdr n ILE 291 Cb 0.30 0.00 0.05 0.00 -0.71 0.00 0.00 39.64 39.28 3kdr n ILE 291 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3kdr h GLU 292 N 0.00 1.06 -0.39 0.38 4.57 -1.46 0.11 114.58 118.85 3kdr h GLU 292 Ca 0.00 -0.32 -0.11 0.00 -1.18 0.00 0.00 59.36 57.75 3kdr h GLU 292 Cb 0.00 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 3kdr h GLU 292 CO 0.00 1.02 -0.19 1.25 -1.18 0.00 0.00 179.01 179.91 3kdr h LEU 293 N 0.97 0.84 -0.38 1.64 5.85 -0.71 -2.71 115.31 120.81 3kdr h LEU 293 Ca 0.18 -0.40 -0.08 0.00 0.84 0.00 0.00 57.88 58.42 3kdr h LEU 293 Cb 0.52 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3kdr h LEU 293 CO 0.03 1.06 -0.06 0.58 -0.34 0.00 0.00 178.44 179.71 3kdr h VAL 294 N 0.62 1.27 -0.39 1.05 2.07 -1.75 0.40 116.25 119.53 3kdr h VAL 294 Ca 0.09 -1.11 -0.12 0.00 0.82 0.00 0.00 66.70 66.38 3kdr h VAL 294 Cb 0.74 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3kdr h VAL 294 CO 0.06 0.37 -0.22 0.74 0.02 0.00 0.00 177.57 178.53 3kdr h THR 295 N 0.53 1.28 0.00 2.57 2.02 -0.68 -0.18 112.91 118.45 3kdr h THR 295 Ca 0.10 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 65.91 3kdr h THR 295 Cb 0.56 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 3kdr h THR 295 CO 0.03 0.46 -0.84 0.49 0.37 0.00 0.00 175.52 176.03 3kdr n PHE 296 N -4.22 0.00 -0.04 3.16 3.72 -1.03 -4.58 117.46 114.47 3kdr n PHE 296 Ca -0.02 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.33 3kdr n PHE 296 Cb 0.45 -0.08 -0.02 0.00 -0.94 0.00 0.00 39.48 38.89 3kdr n PHE 296 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kdr n GLY 297 N 1.43 -0.35 0.10 1.37 0.00 0.13 -4.77 105.19 103.09 3kdr n GLY 297 Ca 0.01 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 3kdr n GLY 297 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kdr h VAL 298 N -0.61 1.36 -0.33 1.61 2.07 -1.25 -3.37 116.25 115.73 3kdr h VAL 298 Ca 0.00 -2.99 0.03 0.00 0.82 0.00 0.00 66.70 64.56 3kdr h VAL 298 Cb 0.61 2.83 -0.02 0.00 -1.52 0.00 0.00 31.29 33.19 3kdr h VAL 298 CO 0.00 0.85 0.22 -0.08 0.02 0.00 0.00 177.57 178.58 3kdr h GLU 299 N 0.06 0.29 -0.56 1.57 4.57 -1.26 -0.53 114.58 118.72 3kdr h GLU 299 Ca -0.17 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 57.94 3kdr h GLU 299 Cb 1.96 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 30.46 3kdr h GLU 299 CO 0.17 0.19 0.13 -1.35 -1.18 0.00 0.00 179.01 176.97 3kdr h PRO 300 N 0.30 0.87 -1.78 0.92 0.11 -1.84 -0.38 132.00 130.20 3kdr h PRO 300 Ca 0.14 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3kdr h PRO 300 Cb 0.17 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.16 3kdr h PRO 300 CO -0.03 0.79 0.00 1.28 -0.21 0.00 0.00 178.00 179.83 3kdr n LEU 301 N -4.26 1.04 0.00 2.35 4.77 -0.21 -2.40 117.00 118.30 3kdr n LEU 301 Ca 0.04 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 3kdr n LEU 301 Cb 0.24 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3kdr n LEU 301 CO 0.40 0.18 0.00 -1.20 -1.33 0.00 0.00 177.39 175.45 3kdr n SER 303 N 1.11 0.00 -0.06 -1.43 7.64 -0.15 -1.71 113.62 119.02 3kdr n SER 303 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 3kdr n SER 303 Cb 0.15 0.00 0.28 0.00 -1.01 0.00 0.00 64.21 63.62 3kdr n SER 303 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kdr h ALA 304 N 0.00 1.38 0.07 -0.43 0.00 -1.74 -1.59 119.26 116.95 3kdr h ALA 304 Ca 0.00 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.46 3kdr h ALA 304 Cb 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 17.63 3kdr h ALA 304 CO 0.00 0.45 -1.14 0.82 0.00 0.00 0.00 179.25 179.38 3kdr h ILE 305 N 0.64 1.29 -0.75 0.00 2.04 -1.62 -3.13 117.51 115.98 3kdr h ILE 305 Ca 0.15 -2.37 -0.05 0.00 1.00 0.00 0.00 64.86 63.60 3kdr h ILE 305 Cb 0.23 2.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.87 3kdr h ILE 305 CO -0.00 0.72 0.29 -0.33 0.00 0.00 0.00 178.15 178.83 3kdr h GLU 306 N 0.29 1.13 -0.56 2.37 5.08 -1.79 -2.52 114.58 118.58 3kdr h GLU 306 Ca -0.16 -0.21 0.11 0.00 -1.00 0.00 0.00 59.36 58.10 3kdr h GLU 306 Cb 1.81 -0.18 -0.10 0.00 0.50 0.00 0.00 28.75 30.78 3kdr h GLU 306 CO 0.22 0.93 -0.10 0.00 -1.00 0.00 0.00 179.01 179.07 3kdr h ALA 307 N 1.15 0.43 -0.05 3.43 0.00 -1.24 0.44 119.26 123.41 3kdr h ALA 307 Ca 0.25 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 3kdr h ALA 307 Cb 0.23 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3kdr h ALA 307 CO -0.02 -0.42 -0.03 -0.09 0.00 0.00 0.00 179.25 178.69 3kdr h ARG 308 N 0.03 0.11 -0.01 0.00 9.65 -1.51 -2.95 114.38 119.71 3kdr h ARG 308 Ca 0.28 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.10 3kdr h ARG 308 Cb 0.43 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.01 3kdr h ARG 308 CO -0.55 0.50 -0.01 -0.07 2.80 0.00 0.00 179.97 182.65 3kdr h LEU 309 N -0.29 0.01 -4.16 3.80 3.38 -0.98 -2.69 115.31 114.38 3kdr h LEU 309 Ca 0.01 -0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.52 3kdr h LEU 309 Cb 0.47 -0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.05 3kdr h LEU 309 CO 0.01 0.02 0.45 0.59 0.09 0.00 0.00 178.44 179.60 3kdr n ASN 310 N -4.53 6.59 -4.44 -0.43 5.03 0.15 -3.89 115.26 113.74 3kdr n ASN 310 Ca -0.03 -3.22 -0.26 0.00 0.87 0.00 0.00 54.58 51.94 3kdr n ASN 310 Cb 0.10 -1.15 -0.11 0.00 -1.02 0.00 0.00 39.78 37.59 3kdr n ASN 310 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3kdr s GLN 311 N -1.96 1.57 0.42 3.52 -1.52 -1.02 -4.89 119.66 115.78 3kdr s GLN 311 Ca 0.50 -1.55 0.15 0.00 -1.95 0.00 0.00 55.36 52.50 3kdr s GLN 311 Cb 0.35 -1.85 1.02 0.00 -0.22 0.00 0.00 33.01 32.30 3kdr s GLN 311 CO -0.14 0.39 1.92 -1.35 -0.25 0.00 0.00 175.29 175.85 3kdr h PRO 312 N 3.03 0.44 -0.08 2.91 0.11 -1.89 -1.28 132.00 135.24 3kdr h PRO 312 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kdr h PRO 312 Cb 1.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3kdr h PRO 312 CO 0.50 0.29 0.00 -0.40 -0.21 0.00 0.00 178.00 178.18 3kdr n ASP 313 N -4.49 0.08 -4.55 -2.05 3.85 -1.26 -3.95 116.55 104.19 3kdr n ASP 313 Ca 0.14 -0.52 -0.21 0.00 -0.71 0.00 0.00 54.79 53.49 3kdr n ASP 313 Cb 0.51 -0.04 -0.07 0.00 -1.35 0.00 0.00 41.12 40.17 3kdr n ASP 313 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.20 177.76 3kdr n HIS 315 N -0.22 1.15 0.60 2.11 -0.00 -0.48 -4.62 115.22 113.76 3kdr n HIS 315 Ca 0.00 0.04 0.12 0.00 -0.00 0.00 0.00 57.72 57.87 3kdr n HIS 315 Cb 0.02 -2.49 0.45 0.00 -0.00 0.00 0.00 29.99 27.98 3kdr n HIS 315 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kdr n ALA 316 N 16.86 1.97 -0.95 1.57 0.00 -1.25 -2.24 120.51 136.47 3kdr n ALA 316 Ca 0.46 -0.01 -0.07 0.00 0.00 0.00 0.00 53.44 53.82 3kdr n ALA 316 Cb 0.43 -1.39 0.29 0.00 0.00 0.00 0.00 19.45 18.78 3kdr n ALA 316 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kdr n ASP 317 N -1.94 4.72 0.21 0.00 2.03 -1.26 -4.72 116.55 115.59 3kdr n ASP 317 Ca 0.04 -3.18 0.06 0.00 0.52 0.00 0.00 54.79 52.24 3kdr n ASP 317 Cb 0.29 -0.74 0.55 0.00 -0.72 0.00 0.00 41.12 40.51 3kdr n ASP 317 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 3kdr h HIS 318 N 2.53 0.08 0.44 -0.67 2.07 -1.66 0.02 115.15 117.96 3kdr h HIS 318 Ca 0.27 -0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.77 3kdr h HIS 318 Cb 2.31 -0.02 0.00 0.00 2.57 0.00 0.00 27.41 32.27 3kdr h HIS 318 CO 1.26 0.12 -0.21 1.25 -3.07 0.00 0.00 177.93 177.28 3kdr h LEU 319 N 0.08 -0.50 -0.12 6.12 5.85 -1.87 -1.83 115.31 123.04 3kdr h LEU 319 Ca 0.02 -0.10 -0.21 0.00 0.84 0.00 0.00 57.88 58.43 3kdr h LEU 319 Cb 0.12 0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.29 3kdr h LEU 319 CO 0.01 -0.13 -0.73 0.00 -0.34 0.00 0.00 178.44 177.25 3kdr h ALA 320 N -0.57 0.25 -2.14 1.25 0.00 -1.94 -3.39 119.26 112.73 3kdr h ALA 320 Ca -0.06 -0.58 -0.59 0.00 0.00 0.00 0.00 54.91 53.68 3kdr h ALA 320 Cb 0.57 -0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.94 3kdr h ALA 320 CO 0.10 0.59 -0.73 0.09 0.00 0.00 0.00 179.25 179.30 3kdr n ASN 321 N -4.02 2.86 -4.77 0.00 3.02 -0.01 -5.02 115.26 107.33 3kdr n ASN 321 Ca -0.08 -3.26 -0.39 0.00 -0.03 0.00 0.00 54.58 50.82 3kdr n ASN 321 Cb 0.72 -0.66 -0.01 0.00 -0.61 0.00 0.00 39.78 39.22 3kdr n ASN 321 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3kdr s PRO 322 N -2.20 4.03 0.26 3.52 0.04 -0.69 -4.42 135.00 135.54 3kdr s PRO 322 Ca 0.39 1.99 -0.29 0.00 0.04 0.00 0.00 61.00 63.13 3kdr s PRO 322 Cb 0.16 -2.73 -0.09 0.00 0.04 0.00 0.00 34.50 31.88 3kdr s PRO 322 CO -0.04 -0.39 1.26 -1.17 0.04 0.00 0.00 177.00 176.70 3kdr s LEU 323 N -2.43 4.45 -0.05 -3.56 2.96 -1.26 -4.58 118.68 114.20 3kdr s LEU 323 Ca 0.57 2.46 -0.06 0.00 -0.22 0.00 0.00 54.13 56.88 3kdr s LEU 323 Cb -0.34 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 42.73 3kdr s LEU 323 CO 0.44 -0.44 0.17 -0.54 -1.32 0.00 0.00 176.35 174.66 3kdr s LYS 324 N -0.97 0.25 0.52 1.98 1.02 -0.27 -4.92 119.74 117.35 3kdr s LYS 324 Ca 0.51 0.14 -0.21 0.00 0.02 0.00 0.00 55.97 56.43 3kdr s LYS 324 Cb -0.36 0.12 -0.06 0.00 -0.52 0.00 0.00 37.83 37.00 3kdr s LYS 324 CO 0.44 -0.04 1.22 -0.06 -0.92 0.00 0.00 175.35 175.99 3kdr s PHE 325 N -0.14 2.60 -0.64 3.18 0.08 -1.26 0.17 117.98 121.96 3kdr s PHE 325 Ca -0.02 1.49 0.06 0.00 0.12 0.00 0.00 56.93 58.58 3kdr s PHE 325 Cb -0.02 -3.49 0.24 0.00 -0.57 0.00 0.00 43.02 39.18 3kdr s PHE 325 CO 0.00 -2.01 0.72 -3.47 -0.10 0.00 0.00 175.22 170.36 3kdr n ASP 326 N -0.97 3.59 -0.09 1.36 2.03 -0.13 -4.87 116.55 117.47 3kdr n ASP 326 Ca 0.10 -3.40 0.25 0.00 0.52 0.00 0.00 54.79 52.26 3kdr n ASP 326 Cb 0.48 -0.68 0.72 0.00 -0.72 0.00 0.00 41.12 40.92 3kdr n ASP 326 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3kdr h PRO 327 N 4.29 0.00 -0.55 -0.67 0.11 -1.95 0.19 132.00 133.43 3kdr h PRO 327 Ca 0.19 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.40 3kdr h PRO 327 Cb 0.68 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.75 3kdr h PRO 327 CO 0.82 0.00 0.37 0.00 -0.21 0.00 0.00 178.00 178.98 3kdr h ALA 328 N 1.56 2.08 -0.81 -0.75 0.00 -1.98 0.34 119.26 119.70 3kdr h ALA 328 Ca 0.34 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.43 3kdr h ALA 328 Cb 1.46 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.13 3kdr h ALA 328 CO -0.00 -0.21 0.55 0.00 0.00 0.00 0.00 179.25 179.58 3kdr h ALA 329 N 1.72 2.26 -0.10 0.00 0.00 -1.37 -1.93 119.26 119.84 3kdr h ALA 329 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 3kdr h ALA 329 Cb 0.57 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3kdr h ALA 329 CO -0.06 -0.50 -0.49 -0.07 0.00 0.00 0.00 179.25 178.12 3kdr h LEU 330 N 0.33 0.29 -0.47 0.00 3.38 -1.09 -2.73 115.31 115.02 3kdr h LEU 330 Ca 0.41 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 58.08 3kdr h LEU 330 Cb 1.09 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 3kdr h LEU 330 CO -0.12 0.74 -0.76 -0.07 0.09 0.00 0.00 178.44 178.32 3kdr h LEU 331 N 0.22 0.00 -0.72 1.67 3.38 -1.40 -3.00 115.31 115.45 3kdr h LEU 331 Ca 0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 3kdr h LEU 331 Cb 0.95 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 3kdr h LEU 331 CO 0.08 0.76 -0.62 0.44 0.09 0.00 0.00 178.44 179.19 3kdr h ASP 332 N 0.00 0.11 0.74 -0.43 3.32 -1.39 -2.77 116.42 116.00 3kdr h ASP 332 Ca -0.01 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 3kdr h ASP 332 Cb 1.35 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 3kdr h ASP 332 CO 0.10 0.70 -0.42 0.00 -1.72 0.00 0.00 179.24 177.89 3kdr h ALA 333 N 1.30 1.03 -2.57 3.45 0.00 -1.44 -3.43 119.26 117.60 3kdr h ALA 333 Ca -0.01 -0.38 -0.53 0.00 0.00 0.00 0.00 54.91 53.99 3kdr h ALA 333 Cb 1.10 -0.07 0.05 0.00 0.00 0.00 0.00 17.79 18.88 3kdr h ALA 333 CO 0.09 0.53 1.02 -0.89 0.00 0.00 0.00 179.25 180.00 3kdr n ILE 334 N -3.64 0.11 -1.37 0.00 5.41 -1.05 -4.93 119.36 113.89 3kdr n ILE 334 Ca -0.01 -0.02 -0.32 0.00 1.00 0.00 0.00 62.75 63.40 3kdr n ILE 334 Cb 0.52 -1.99 0.09 0.00 -0.71 0.00 0.00 39.64 37.55 3kdr n ILE 334 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3kdr s PRO 335 N 1.62 2.26 -0.21 0.38 0.02 -1.26 -5.01 135.00 132.80 3kdr s PRO 335 Ca 0.78 1.36 -0.07 0.00 0.02 0.00 0.00 61.00 63.08 3kdr s PRO 335 Cb -0.52 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.08 3kdr s PRO 335 CO 0.34 -1.66 0.06 0.95 -0.33 0.00 0.00 177.00 176.36 3kdr s THR 336 N -2.58 4.53 -1.30 0.99 -4.23 -1.26 -5.13 115.64 106.65 3kdr s THR 336 Ca 0.65 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 3kdr s THR 336 Cb -0.20 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.56 3kdr s THR 336 CO 0.50 0.40 0.33 0.41 -0.54 0.00 0.00 174.62 175.72