#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2r s HIS 2 N 0.00 1.74 0.40 -1.55 -3.43 -1.26 -4.94 115.29 106.26 2k2r s HIS 2 Ca 0.00 0.67 -0.24 0.00 -0.80 0.00 0.00 55.06 54.69 2k2r s HIS 2 Cb 0.00 -4.14 -0.12 0.00 -1.43 0.00 0.00 32.58 26.90 2k2r s HIS 2 CO 0.00 -2.21 0.84 0.39 -2.00 0.00 0.00 174.74 171.76 2k2r n GLU 3 N 9.16 1.03 0.00 -0.38 -0.58 -1.26 -4.73 120.64 123.88 2k2r n GLU 3 Ca 0.22 0.37 0.00 0.00 -0.42 0.00 0.00 57.16 57.33 2k2r n GLU 3 Cb 0.51 -1.81 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 2k2r n GLU 3 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2k2r n ARG 4 N 0.35 0.00 0.00 3.49 0.00 -1.26 -4.97 116.66 114.27 2k2r n ARG 4 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 2k2r n ARG 4 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.84 2k2r n ARG 4 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2k2r n ASP 5 N 0.00 0.00 -0.06 6.15 -0.08 -1.26 -4.77 116.55 116.53 2k2r n ASP 5 Ca 0.00 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.22 2k2r n ASP 5 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 2k2r n ASP 5 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k2r h ALA 6 N -2.00 -0.01 -1.49 -1.67 0.00 -2.00 -3.31 119.26 108.79 2k2r h ALA 6 Ca 0.00 -0.23 0.43 0.00 0.00 0.00 0.00 54.91 55.12 2k2r h ALA 6 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 2k2r h ALA 6 CO 0.00 -0.01 1.06 0.27 0.00 0.00 0.00 179.25 180.57 2k2r h PHE 7 N -1.00 0.07 0.00 0.00 -0.00 -1.94 0.27 116.94 114.34 2k2r h PHE 7 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2k2r h PHE 7 Cb 0.46 -0.02 0.00 0.00 -0.00 0.00 0.00 35.95 36.39 2k2r h PHE 7 CO 0.13 -0.01 0.00 -3.47 -0.00 0.00 0.00 178.31 174.95 2k2r n ASP 8 N -4.14 0.00 0.25 -0.68 2.03 -1.24 -1.61 116.55 111.16 2k2r n ASP 8 Ca 0.33 0.95 0.16 0.00 0.52 0.00 0.00 54.79 56.76 2k2r n ASP 8 Cb 1.53 -0.47 0.62 0.00 -0.72 0.00 0.00 41.12 42.09 2k2r n ASP 8 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2k2r h THR 9 N 0.00 0.00 -0.03 5.18 2.02 -1.48 0.12 112.91 118.73 2k2r h THR 9 Ca 0.00 -0.51 -0.07 0.00 0.77 0.00 0.00 66.41 66.59 2k2r h THR 9 Cb 0.00 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 2k2r h THR 9 CO 0.00 0.00 -0.27 -0.07 0.37 0.00 0.00 175.52 175.55 2k2r h LEU 10 N 0.00 0.28 0.00 2.58 3.38 -0.49 0.78 115.31 121.84 2k2r h LEU 10 Ca 0.00 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.26 2k2r h LEU 10 Cb 0.53 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2k2r h LEU 10 CO 0.00 0.95 -0.46 0.49 0.09 0.00 0.00 178.44 179.51 2k2r n PHE 11 N -4.49 0.33 0.68 1.13 3.72 -0.63 -2.14 117.46 116.05 2k2r n PHE 11 Ca -0.09 0.10 0.07 0.00 -0.05 0.00 0.00 57.45 57.48 2k2r n PHE 11 Cb 0.49 -0.52 -0.04 0.00 -0.94 0.00 0.00 39.48 38.47 2k2r n PHE 11 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2k2r n ASP 12 N -1.85 1.14 -0.77 4.37 8.00 0.02 -4.69 116.55 122.78 2k2r n ASP 12 Ca 0.05 -1.07 -0.02 0.00 0.71 0.00 0.00 54.79 54.46 2k2r n ASP 12 Cb 0.39 0.72 -0.02 0.00 -0.02 0.00 0.00 41.12 42.19 2k2r n ASP 12 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2k2r n HIS 13 N -0.71 0.00 -2.68 1.24 -0.00 0.26 -4.96 115.22 108.37 2k2r n HIS 13 Ca 0.05 -0.21 -0.05 0.00 0.46 0.00 0.00 57.72 57.97 2k2r n HIS 13 Cb 0.27 0.22 0.08 0.00 -0.12 0.00 0.00 29.99 30.45 2k2r n HIS 13 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2k2r n ALA 14 N 0.06 -3.07 0.44 1.57 0.00 -0.91 -4.90 120.51 113.70 2k2r n ALA 14 Ca -0.08 -0.53 0.11 0.00 0.00 0.00 0.00 53.44 52.94 2k2r n ALA 14 Cb 0.67 -2.85 0.46 0.00 0.00 0.00 0.00 19.45 17.73 2k2r n ALA 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2k2r n PRO 15 N 1.35 0.16 -0.07 0.00 -0.05 -1.24 -2.61 135.00 132.54 2k2r n PRO 15 Ca 0.02 0.37 -0.20 0.00 -0.05 0.00 0.00 63.50 63.64 2k2r n PRO 15 Cb 0.70 -1.79 -0.12 0.00 -0.05 0.00 0.00 33.50 32.23 2k2r n PRO 15 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 175.50 175.01 2k2r h ASP 16 N 0.00 0.09 0.09 3.54 3.32 -1.93 -3.32 116.42 118.21 2k2r h ASP 16 Ca 0.00 -0.73 -0.06 0.00 0.02 0.00 0.00 57.03 56.26 2k2r h ASP 16 Cb 0.37 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2k2r h ASP 16 CO 0.00 1.39 -0.20 0.11 -1.72 0.00 0.00 179.24 178.82 2k2r h LYS 17 N -0.83 0.21 -0.82 3.56 1.57 -1.93 -1.24 116.57 117.10 2k2r h LYS 17 Ca -0.24 -0.06 0.12 0.00 -1.87 0.00 0.00 60.65 58.60 2k2r h LYS 17 Cb 1.33 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.56 2k2r h LYS 17 CO -0.09 0.41 0.53 -0.07 -0.57 0.00 0.00 179.45 179.67 2k2r h LEU 18 N 0.20 0.61 0.00 2.94 3.38 -1.63 1.65 115.31 122.46 2k2r h LEU 18 Ca 0.04 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2k2r h LEU 18 Cb 0.47 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2k2r h LEU 18 CO 0.03 0.34 -0.00 -1.13 0.09 0.00 0.00 178.44 177.77 2k2r h ASN 19 N 0.67 -0.00 0.05 -0.43 -1.24 -1.32 -2.21 115.58 111.09 2k2r h ASN 19 Ca 0.39 -0.42 -0.11 0.00 0.71 0.00 0.00 56.30 56.88 2k2r h ASN 19 Cb 0.60 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.63 2k2r h ASN 19 CO -0.16 0.41 -0.35 0.58 -1.29 0.00 0.00 177.43 176.63 2k2r h VAL 20 N -0.42 1.29 -0.19 2.57 2.07 -0.98 -2.59 116.25 118.00 2k2r h VAL 20 Ca -0.00 -1.43 -0.04 0.00 0.82 0.00 0.00 66.70 66.05 2k2r h VAL 20 Cb 0.42 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2k2r h VAL 20 CO 0.00 0.44 -0.05 0.58 0.02 0.00 0.00 177.57 178.56 2k2r h VAL 21 N 0.36 1.15 -0.19 2.57 2.07 0.24 -1.09 116.25 121.36 2k2r h VAL 21 Ca 0.04 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 2k2r h VAL 21 Cb 0.78 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2k2r h VAL 21 CO 0.06 0.21 -0.07 0.50 0.02 0.00 0.00 177.57 178.28 2k2r h LYS 22 N 0.28 0.39 -0.03 1.57 3.64 -1.02 -1.70 116.57 119.70 2k2r h LYS 22 Ca 0.06 -0.16 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2k2r h LYS 22 Cb 0.28 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2k2r h LYS 22 CO 0.01 0.67 0.21 0.87 -2.27 0.00 0.00 179.45 178.95 2k2r h LYS 23 N 0.09 0.00 0.23 1.90 1.57 -0.92 0.45 116.57 119.89 2k2r h LYS 23 Ca 0.05 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.52 2k2r h LYS 23 Cb 0.54 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.89 2k2r h LYS 23 CO 0.02 0.00 -1.36 1.15 -0.57 0.00 0.00 179.45 178.70 2k2r h THR 24 N 0.00 1.32 -0.32 -0.16 2.02 -0.36 -2.15 112.91 113.25 2k2r h THR 24 Ca 0.01 -2.66 -0.03 0.00 0.77 0.00 0.00 66.41 64.50 2k2r h THR 24 Cb 0.44 3.08 -0.02 0.00 -1.74 0.00 0.00 68.15 69.91 2k2r h THR 24 CO -0.00 0.79 0.09 -0.07 0.37 0.00 0.00 175.52 176.70 2k2r h LEU 25 N 0.04 0.42 -1.13 2.58 3.38 -0.58 0.87 115.31 120.89 2k2r h LEU 25 Ca -0.24 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 2k2r h LEU 25 Cb 2.07 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.70 2k2r h LEU 25 CO 0.25 0.42 -0.11 0.40 0.09 0.00 0.00 178.44 179.49 2k2r h ILE 26 N 0.46 1.22 -0.56 1.22 2.04 -1.01 -2.64 117.51 118.24 2k2r h ILE 26 Ca 0.11 -0.97 -0.09 0.00 1.00 0.00 0.00 64.86 64.91 2k2r h ILE 26 Cb 0.16 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2k2r h ILE 26 CO -0.01 0.32 0.00 0.74 0.00 0.00 0.00 178.15 179.20 2k2r h THR 27 N 0.45 1.26 -0.16 -0.27 2.02 -0.16 0.52 112.91 116.58 2k2r h THR 27 Ca 0.09 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 2k2r h THR 27 Cb 0.46 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 2k2r h THR 27 CO 0.03 0.40 0.07 0.15 0.37 0.00 0.00 175.52 176.53 2k2r h PHE 28 N 0.89 0.24 -0.19 3.16 3.57 -1.11 -0.96 116.94 122.55 2k2r h PHE 28 Ca 0.16 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2k2r h PHE 28 Cb 0.52 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2k2r h PHE 28 CO 0.03 0.30 0.06 0.28 -2.23 0.00 0.00 178.31 176.76 2k2r h VAL 29 N 0.12 1.18 0.00 1.41 2.07 -1.39 -1.22 116.25 118.41 2k2r h VAL 29 Ca 0.05 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2k2r h VAL 29 Cb 0.16 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2k2r h VAL 29 CO -0.01 0.17 0.27 -1.13 0.02 0.00 0.00 177.57 176.89 2k2r h ASN 30 N 0.13 0.00 0.10 0.57 -0.73 -0.62 0.75 115.58 115.79 2k2r h ASN 30 Ca 0.06 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.23 2k2r h ASN 30 Cb 0.21 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.80 2k2r h ASN 30 CO -0.00 0.00 -0.05 0.50 -0.37 0.00 0.00 177.43 177.51 2k2r h LYS 31 N 0.00 -0.13 0.00 6.67 3.64 0.07 2.16 116.57 128.99 2k2r h LYS 31 Ca 0.00 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2k2r h LYS 31 Cb 0.54 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2k2r h LYS 31 CO 0.00 0.30 -0.15 0.45 -2.27 0.00 0.00 179.45 177.78 2k2r h HIS 32 N -0.95 0.00 0.15 1.91 3.86 -1.06 -2.33 115.15 116.73 2k2r h HIS 32 Ca -0.01 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.94 2k2r h HIS 32 Cb 0.49 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.97 2k2r h HIS 32 CO 0.10 0.15 -1.25 -0.07 0.86 0.00 0.00 177.93 177.72 2k2r h LEU 33 N 0.00 0.49 -2.63 2.43 3.38 0.49 -3.23 115.31 116.24 2k2r h LEU 33 Ca -0.00 -0.90 0.01 0.00 0.09 0.00 0.00 57.88 57.07 2k2r h LEU 33 Cb 0.73 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 2k2r h LEU 33 CO 0.02 1.57 0.05 -1.13 0.09 0.00 0.00 178.44 179.04 2k2r h ASN 34 N -0.23 0.00 0.27 -0.43 -1.24 0.38 -2.14 115.58 112.18 2k2r h ASN 34 Ca -0.25 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.76 2k2r h ASN 34 Cb 1.80 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 40.83 2k2r h ASN 34 CO 0.13 0.00 -0.43 0.50 -1.29 0.00 0.00 177.43 176.34 2k2r h LYS 35 N 0.00 -0.71 0.00 6.67 1.63 -1.44 0.90 116.57 123.62 2k2r h LYS 35 Ca 0.01 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2k2r h LYS 35 Cb 0.12 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 2k2r h LYS 35 CO -0.00 -0.47 0.00 -0.11 -3.45 0.00 0.00 179.45 175.42 2k2r n LEU 36 N -4.96 0.00 -2.21 5.20 7.94 -1.05 -4.88 117.00 117.04 2k2r n LEU 36 Ca -0.09 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.79 2k2r n LEU 36 Cb 0.36 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.32 2k2r n LEU 36 CO 0.18 0.00 -0.10 -0.46 -1.11 0.00 0.00 177.39 175.90 2k2r n ASN 37 N -0.95 -5.30 0.00 1.96 6.94 0.31 -5.10 115.26 113.12 2k2r n ASN 37 Ca 0.14 0.50 0.00 0.00 -0.02 0.00 0.00 54.58 55.20 2k2r n ASN 37 Cb 0.06 -3.41 0.00 0.00 -2.36 0.00 0.00 39.78 34.07 2k2r n ASN 37 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2k2r n LEU 38 N -0.07 0.00 -3.35 -4.53 4.32 -0.99 -4.93 117.00 107.45 2k2r n LEU 38 Ca 0.04 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 56.05 2k2r n LEU 38 Cb 0.15 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.92 2k2r n LEU 38 CO 0.26 0.00 0.46 -0.70 -1.22 0.00 0.00 177.39 176.19 2k2r s GLU 39 N 1.46 0.37 0.23 3.23 2.12 -1.26 -4.62 118.70 120.23 2k2r s GLU 39 Ca 0.00 0.83 0.07 0.00 0.36 0.00 0.00 54.97 56.23 2k2r s GLU 39 Cb 0.00 0.49 -0.04 0.00 0.26 0.00 0.00 34.13 34.84 2k2r s GLU 39 CO 0.00 -0.23 0.11 0.54 -0.54 0.00 0.00 175.26 175.14 2k2r s VAL 40 N 2.71 4.14 0.00 3.70 0.11 -1.26 -5.03 120.40 124.77 2k2r s VAL 40 Ca 0.01 -1.46 0.00 0.00 -2.93 0.00 0.00 61.98 57.60 2k2r s VAL 40 Cb -0.10 -3.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.57 2k2r s VAL 40 CO -0.17 -0.28 0.00 0.41 -3.33 0.00 0.00 175.10 171.73 2k2r n THR 41 N -0.82 0.00 -3.58 5.04 -1.04 -1.26 -4.98 114.28 107.65 2k2r n THR 41 Ca -0.08 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.65 2k2r n THR 41 Cb 0.57 0.79 -0.11 0.00 -1.82 0.00 0.00 70.33 69.76 2k2r n THR 41 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2k2r s GLU 42 N 0.00 1.34 0.22 -2.82 2.56 -1.26 -4.96 118.70 113.79 2k2r s GLU 42 Ca 0.00 -2.37 -0.08 0.00 0.00 0.00 0.00 54.97 52.53 2k2r s GLU 42 Cb 0.00 -2.07 0.35 0.00 2.00 0.00 0.00 34.13 34.41 2k2r s GLU 42 CO 0.00 -1.32 1.73 1.25 -0.56 0.00 0.00 175.26 176.37 2k2r h LEU 43 N 5.83 0.20 -0.06 2.70 7.12 -1.95 -0.52 115.31 128.64 2k2r h LEU 43 Ca 0.18 0.10 0.02 0.00 0.13 0.00 0.00 57.88 58.31 2k2r h LEU 43 Cb 0.88 0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 41.05 2k2r h LEU 43 CO 0.47 0.10 -0.37 -0.33 -0.13 0.00 0.00 178.44 178.18 2k2r h GLU 44 N 0.40 -0.41 0.00 1.25 5.08 -1.89 -1.34 114.58 117.66 2k2r h GLU 44 Ca 0.35 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 2k2r h GLU 44 Cb 0.48 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2k2r h GLU 44 CO -0.36 -0.27 0.00 -2.37 -1.00 0.00 0.00 179.01 175.01 2k2r n THR 45 N -4.52 0.00 0.25 1.13 5.66 -1.05 -3.05 114.28 112.69 2k2r n THR 45 Ca -0.04 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.10 2k2r n THR 45 Cb 0.26 -0.43 0.53 0.00 -1.55 0.00 0.00 70.33 69.14 2k2r n THR 45 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 2k2r h GLN 46 N 0.00 0.00 0.00 1.09 1.08 0.11 -1.53 115.11 115.86 2k2r h GLN 46 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k2r h GLN 46 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2k2r h GLN 46 CO 0.00 0.07 -1.23 1.19 -0.95 0.00 0.00 178.83 177.92 2k2r n PHE 47 N -3.18 0.24 0.55 2.96 3.01 -1.17 -2.95 117.46 116.92 2k2r n PHE 47 Ca 0.01 0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.54 2k2r n PHE 47 Cb 0.38 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 2k2r n PHE 47 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2k2r n ALA 48 N -1.91 2.05 -0.02 4.37 0.00 -0.58 -2.22 120.51 122.21 2k2r n ALA 48 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2k2r n ALA 48 Cb 0.46 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2k2r n ALA 48 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k2r n ASP 49 N 0.72 0.00 -0.09 0.00 5.68 -1.25 -4.90 116.55 116.70 2k2r n ASP 49 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.28 2k2r n ASP 49 Cb 0.27 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.25 2k2r n ASP 49 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k2r n GLY 50 N 0.00 0.08 0.23 6.12 0.00 -0.94 -4.76 105.19 105.91 2k2r n GLY 50 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2k2r n GLY 50 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k2r h VAL 51 N 0.00 0.00 0.00 1.61 2.07 -1.90 -2.81 116.25 115.22 2k2r h VAL 51 Ca -0.02 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2k2r h VAL 51 Cb 0.66 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2k2r h VAL 51 CO 0.03 0.00 0.21 -1.22 0.02 0.00 0.00 177.57 176.61 2k2r n TYR 52 N -4.97 0.55 0.13 1.57 4.01 -1.26 -1.75 117.16 115.44 2k2r n TYR 52 Ca -0.06 0.29 -0.06 0.00 -0.16 0.00 0.00 57.90 57.90 2k2r n TYR 52 Cb 0.20 -0.82 -0.03 0.00 -0.31 0.00 0.00 39.34 38.38 2k2r n TYR 52 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2k2r h LEU 53 N 0.00 -0.34 -1.72 7.72 3.38 -1.76 -1.94 115.31 120.65 2k2r h LEU 53 Ca 0.00 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.20 2k2r h LEU 53 Cb 0.42 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 2k2r h LEU 53 CO 0.00 0.07 0.59 0.58 0.09 0.00 0.00 178.44 179.78 2k2r h VAL 54 N -1.04 0.64 0.43 1.22 2.07 -1.19 -0.26 116.25 118.12 2k2r h VAL 54 Ca -0.04 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2k2r h VAL 54 Cb 0.31 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2k2r h VAL 54 CO 0.07 0.04 -0.20 -0.07 0.02 0.00 0.00 177.57 177.43 2k2r h LEU 55 N 0.23 -0.48 -0.89 2.57 -0.00 -1.45 -2.24 115.31 113.04 2k2r h LEU 55 Ca 0.44 -0.05 0.12 0.00 -0.00 0.00 0.00 57.88 58.39 2k2r h LEU 55 Cb 1.34 0.13 -0.14 0.00 -0.00 0.00 0.00 40.66 41.99 2k2r h LEU 55 CO -0.10 -0.25 -0.44 0.25 -0.00 0.00 0.00 178.44 177.90 2k2r h LEU 56 N -0.70 -1.61 -1.88 1.67 7.12 -0.22 1.75 115.31 121.44 2k2r h LEU 56 Ca -0.06 0.30 0.16 0.00 0.13 0.00 0.00 57.88 58.41 2k2r h LEU 56 Cb 0.51 0.78 -0.03 0.00 -0.53 0.00 0.00 40.66 41.39 2k2r h LEU 56 CO 0.10 -0.29 0.44 0.24 -0.13 0.00 0.00 178.44 178.80 2k2r h MET 57 N -0.06 0.12 0.17 1.25 2.86 -1.30 -1.40 114.93 116.57 2k2r h MET 57 Ca 0.26 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 2k2r h MET 57 Cb 0.54 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2k2r h MET 57 CO -0.90 0.08 -0.08 0.78 1.06 0.00 0.00 176.91 177.85 2k2r h GLY 58 N 0.12 -0.24 1.60 8.32 0.00 0.32 -2.08 103.07 111.11 2k2r h GLY 58 Ca 0.30 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.72 2k2r h GLY 58 CO -0.04 -0.09 0.16 1.41 0.00 0.00 0.00 176.54 177.99 2k2r h LEU 59 N -1.03 0.00 0.00 3.11 -0.00 -0.88 0.55 115.31 117.05 2k2r h LEU 59 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.86 2k2r h LEU 59 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 2k2r h LEU 59 CO 0.04 0.00 -0.00 0.25 -0.00 0.00 0.00 178.44 178.73 2k2r h LEU 60 N 0.00 -0.00 -1.74 1.67 7.12 -1.21 -3.23 115.31 117.91 2k2r h LEU 60 Ca 0.00 -0.89 -0.01 0.00 0.13 0.00 0.00 57.88 57.11 2k2r h LEU 60 Cb 0.32 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.45 2k2r h LEU 60 CO 0.00 0.94 -0.05 -0.33 -0.13 0.00 0.00 178.44 178.87 2k2r h GLU 61 N -0.99 0.00 0.00 1.25 5.08 0.05 -3.46 114.58 116.51 2k2r h GLU 61 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k2r h GLU 61 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2k2r h GLU 61 CO 0.00 0.05 0.00 0.41 -1.00 0.00 0.00 179.01 178.47 2k2r n GLY 62 N -0.24 0.79 2.52 -3.84 0.00 0.16 -5.05 105.19 99.52 2k2r n GLY 62 Ca -0.00 -0.62 0.09 0.00 0.00 0.00 0.00 46.02 45.49 2k2r n GLY 62 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2k2r n TYR 63 N 0.00 -2.65 -1.17 1.61 9.36 -1.05 -4.92 117.16 118.35 2k2r n TYR 63 Ca 0.00 0.82 0.00 0.00 3.32 0.00 0.00 57.90 62.04 2k2r n TYR 63 Cb 0.00 -1.47 0.00 0.00 -0.63 0.00 0.00 39.34 37.24 2k2r n TYR 63 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2k2r n PHE 64 N -2.39 0.00 -3.38 2.98 7.35 -1.26 -4.70 117.46 116.06 2k2r n PHE 64 Ca 0.00 0.00 -0.21 0.00 -0.76 0.00 0.00 57.45 56.49 2k2r n PHE 64 Cb 0.30 -1.62 -0.09 0.00 0.35 0.00 0.00 39.48 38.42 2k2r n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2k2r s VAL 65 N -2.78 -0.18 1.18 -2.13 -7.23 -1.26 -4.92 120.40 103.08 2k2r s VAL 65 Ca 0.00 -1.26 -0.15 0.00 -1.81 0.00 0.00 61.98 58.76 2k2r s VAL 65 Cb 0.00 -0.80 0.28 0.00 0.56 0.00 0.00 36.38 36.42 2k2r s VAL 65 CO 0.00 -0.72 1.03 -2.84 -0.31 0.00 0.00 175.10 172.26 2k2r s PRO 66 N 1.26 -1.07 -0.13 4.82 0.02 -1.26 -4.98 135.00 133.66 2k2r s PRO 66 Ca 0.18 0.56 -0.18 0.00 0.02 0.00 0.00 61.00 61.58 2k2r s PRO 66 Cb -0.17 -1.56 -0.16 0.00 0.02 0.00 0.00 34.50 32.63 2k2r s PRO 66 CO -0.02 -3.75 0.43 1.25 -0.33 0.00 0.00 177.00 174.58 2k2r h LEU 67 N -2.63 0.00 0.00 -5.54 5.85 -2.00 -3.29 115.31 107.70 2k2r h LEU 67 Ca -0.57 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 57.56 2k2r h LEU 67 Cb 1.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.37 2k2r h LEU 67 CO 0.48 0.88 0.00 0.00 -0.34 0.00 0.00 178.44 179.46 2k2r n HIS 68 N -4.64 0.00 -0.18 1.25 1.44 -1.26 -3.57 115.22 108.25 2k2r n HIS 68 Ca -0.09 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.58 2k2r n HIS 68 Cb 0.34 0.00 0.14 0.00 0.12 0.00 0.00 29.99 30.59 2k2r n HIS 68 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2k2r h SER 69 N 0.00 0.89 0.00 4.39 0.87 -1.94 -3.43 113.55 114.32 2k2r h SER 69 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2k2r h SER 69 Cb 0.00 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 2k2r h SER 69 CO 0.00 0.85 0.00 2.22 -0.53 0.00 0.00 176.83 179.37 2k2r n PHE 70 N -4.26 0.00 -0.82 2.24 -1.74 -1.23 -5.06 117.46 106.58 2k2r n PHE 70 Ca 0.05 0.00 -0.18 0.00 -0.56 0.00 0.00 57.45 56.75 2k2r n PHE 70 Cb 0.23 0.00 0.15 0.00 1.52 0.00 0.00 39.48 41.38 2k2r n PHE 70 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2k2r n PHE 71 N 0.00 -3.53 0.00 2.97 7.35 -1.26 -5.04 117.46 117.94 2k2r n PHE 71 Ca 0.00 -0.60 0.00 0.00 -0.76 0.00 0.00 57.45 56.09 2k2r n PHE 71 Cb 0.00 -0.70 0.00 0.00 0.35 0.00 0.00 39.48 39.13 2k2r n PHE 71 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2k2r n LEU 72 N 0.00 0.00 -3.70 -2.13 7.99 -1.26 -4.73 117.00 113.17 2k2r n LEU 72 Ca 0.09 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.96 2k2r n LEU 72 Cb 0.36 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 43.54 2k2r n LEU 72 CO 0.25 0.00 -0.14 -0.89 -1.51 0.00 0.00 177.39 175.10 2k2r s THR 73 N 0.00 -0.18 0.13 -5.08 2.01 -1.26 -4.94 115.64 106.32 2k2r s THR 73 Ca 0.00 0.21 -0.33 0.00 0.31 0.00 0.00 61.69 61.87 2k2r s THR 73 Cb 0.00 -0.39 -0.13 0.00 0.01 0.00 0.00 72.50 71.99 2k2r s THR 73 CO 0.00 0.09 1.66 -2.65 -0.69 0.00 0.00 174.62 173.02 2k2r n PRO 74 N 4.69 2.29 -0.05 4.92 -0.02 -1.26 -4.86 135.00 140.70 2k2r n PRO 74 Ca -0.17 0.83 -0.08 0.00 -2.02 0.00 0.00 63.50 62.05 2k2r n PRO 74 Cb 0.52 -2.63 -0.04 0.00 -0.02 0.00 0.00 33.50 31.33 2k2r n PRO 74 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2k2r n ASP 75 N 4.10 1.83 -2.41 2.55 2.03 -1.26 -4.96 116.55 118.42 2k2r n ASP 75 Ca 0.18 0.04 -0.05 0.00 0.52 0.00 0.00 54.79 55.48 2k2r n ASP 75 Cb 0.30 -0.21 -0.01 0.00 -0.72 0.00 0.00 41.12 40.48 2k2r n ASP 75 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2k2r n SER 76 N -3.13 2.13 0.29 1.67 3.41 -1.26 -5.03 113.62 111.70 2k2r n SER 76 Ca -0.17 -1.34 -0.14 0.00 -0.26 0.00 0.00 58.87 56.96 2k2r n SER 76 Cb 0.65 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.57 2k2r n SER 76 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2k2r h PHE 77 N 0.99 -0.71 -1.01 7.33 3.57 -1.99 -2.69 116.94 122.43 2k2r h PHE 77 Ca -0.06 -0.02 0.26 0.00 3.53 0.00 0.00 57.97 61.68 2k2r h PHE 77 Cb 0.20 0.24 -0.13 0.00 2.79 0.00 0.00 35.95 39.04 2k2r h PHE 77 CO 0.00 -0.39 0.59 1.49 -2.23 0.00 0.00 178.31 177.77 2k2r h GLU 78 N -1.11 0.51 -0.59 1.11 4.81 -1.97 0.46 114.58 117.81 2k2r h GLU 78 Ca -0.08 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 2k2r h GLU 78 Cb 0.64 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 2k2r h GLU 78 CO 0.13 0.34 0.13 1.96 -0.73 0.00 0.00 179.01 180.83 2k2r h GLN 79 N 0.53 0.92 -0.04 1.92 4.20 -1.94 -1.06 115.11 119.63 2k2r h GLN 79 Ca 0.66 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 59.12 2k2r h GLN 79 Cb 1.33 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2k2r h GLN 79 CO -0.49 0.83 -0.17 0.87 -0.67 0.00 0.00 178.83 179.19 2k2r h LYS 80 N 0.88 0.20 -0.37 1.46 1.57 0.11 -2.53 116.57 117.87 2k2r h LYS 80 Ca 0.19 -0.15 0.11 0.00 -1.87 0.00 0.00 60.65 58.92 2k2r h LYS 80 Cb 0.34 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2k2r h LYS 80 CO 0.00 0.79 0.41 0.28 -0.57 0.00 0.00 179.45 180.37 2k2r h VAL 81 N -0.36 0.38 0.20 0.50 2.07 -0.54 -0.22 116.25 118.28 2k2r h VAL 81 Ca -0.01 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.17 2k2r h VAL 81 Cb 0.82 0.67 0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2k2r h VAL 81 CO 0.04 0.00 -1.64 0.25 0.02 0.00 0.00 177.57 176.24 2k2r h LEU 82 N 0.00 0.66 -1.86 2.57 5.85 -1.00 -0.72 115.31 120.81 2k2r h LEU 82 Ca 0.18 -0.87 -0.01 0.00 0.84 0.00 0.00 57.88 58.02 2k2r h LEU 82 Cb 1.01 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 2k2r h LEU 82 CO -0.00 1.72 -0.01 -1.13 -0.34 0.00 0.00 178.44 178.67 2k2r h ASN 83 N 0.11 0.06 0.49 1.25 -0.73 -0.63 -0.81 115.58 115.32 2k2r h ASN 83 Ca -0.30 -0.00 -0.29 0.00 1.87 0.00 0.00 56.30 57.57 2k2r h ASN 83 Cb 2.11 -0.02 -0.04 0.00 0.27 0.00 0.00 38.32 40.65 2k2r h ASN 83 CO 0.21 0.09 -1.64 0.58 -0.37 0.00 0.00 177.43 176.29 2k2r h VAL 84 N 0.07 0.96 0.00 2.57 2.07 -1.42 -2.89 116.25 117.60 2k2r h VAL 84 Ca 0.02 -2.75 -0.02 0.00 0.82 0.00 0.00 66.70 64.77 2k2r h VAL 84 Cb 0.07 2.53 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2k2r h VAL 84 CO 0.00 0.64 -0.11 0.77 0.02 0.00 0.00 177.57 178.89 2k2r h SER 85 N 0.02 0.00 0.14 0.57 4.64 -0.47 0.62 113.55 119.07 2k2r h SER 85 Ca -0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 2k2r h SER 85 Cb 1.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.08 2k2r h SER 85 CO 0.10 0.11 -0.07 0.15 -0.87 0.00 0.00 176.83 176.25 2k2r h PHE 86 N 0.00 -0.18 -0.46 4.77 3.57 -1.20 -0.69 116.94 122.75 2k2r h PHE 86 Ca -0.00 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 2k2r h PHE 86 Cb 0.24 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2k2r h PHE 86 CO 0.00 0.16 0.32 0.00 -2.23 0.00 0.00 178.31 176.56 2k2r h ALA 87 N -0.64 2.29 0.00 2.41 0.00 -1.28 1.49 119.26 123.53 2k2r h ALA 87 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2k2r h ALA 87 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k2r h ALA 87 CO 0.03 -0.42 -0.16 0.35 0.00 0.00 0.00 179.25 179.06 2k2r h PHE 88 N 0.10 0.00 0.08 0.00 3.04 -0.84 -1.40 116.94 117.93 2k2r h PHE 88 Ca 0.22 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 62.06 2k2r h PHE 88 Cb 0.72 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.25 2k2r h PHE 88 CO -0.00 0.16 -0.47 0.93 -2.02 0.00 0.00 178.31 176.91 2k2r h GLU 89 N 0.00 0.19 0.00 1.11 4.39 0.36 -0.30 114.58 120.33 2k2r h GLU 89 Ca -0.00 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2k2r h GLU 89 Cb 0.78 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 2k2r h GLU 89 CO 0.02 1.13 0.00 -0.07 -1.16 0.00 0.00 179.01 178.93 2k2r h LEU 90 N -0.60 0.00 0.01 1.33 3.38 -1.18 -2.52 115.31 115.74 2k2r h LEU 90 Ca -0.08 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 2k2r h LEU 90 Cb 1.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 2k2r h LEU 90 CO 0.09 0.00 -0.64 0.24 0.09 0.00 0.00 178.44 178.22 2k2r h MET 91 N 0.00 0.02 -0.72 1.13 2.86 -1.22 0.22 114.93 117.22 2k2r h MET 91 Ca 0.00 -0.03 0.21 0.00 -2.06 0.00 0.00 59.70 57.82 2k2r h MET 91 Cb 0.43 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 2k2r h MET 91 CO 0.00 1.01 0.57 1.96 1.06 0.00 0.00 176.91 181.52 2k2r h GLN 92 N -0.95 0.00 0.00 1.72 1.08 -0.89 0.91 115.11 116.97 2k2r h GLN 92 Ca -0.17 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 56.96 2k2r h GLN 92 Cb 1.18 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 2k2r h GLN 92 CO -0.09 0.00 -0.50 0.22 -0.95 0.00 0.00 178.83 177.51 2k2r h ASP 93 N 0.00 0.00 0.00 1.46 3.58 -1.48 -3.25 116.42 116.73 2k2r h ASP 93 Ca 0.34 -0.43 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2k2r h ASP 93 Cb 1.48 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.53 2k2r h ASP 93 CO -0.00 1.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.97 2k2r n GLY 94 N 1.59 -0.16 0.00 -0.78 0.00 0.76 -4.90 105.19 101.70 2k2r n GLY 94 Ca -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2k2r n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k2r n GLY 95 N -0.55 0.40 4.39 -0.02 0.00 0.30 -4.97 105.19 104.73 2k2r n GLY 95 Ca 0.02 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2k2r n GLY 95 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k2r n LEU 96 N 0.00 0.00 0.00 0.99 -0.00 -1.25 -3.35 117.00 113.39 2k2r n LEU 96 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2k2r n LEU 96 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2k2r n LEU 96 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.77 2k2r n GLU 97 N -0.28 0.00 -3.74 1.96 1.02 -1.26 -4.44 120.64 113.89 2k2r n GLU 97 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 2k2r n GLU 97 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 2k2r n GLU 97 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2k2r s LYS 98 N 0.00 2.26 1.02 3.49 1.02 -1.26 -4.75 119.74 121.52 2k2r s LYS 98 Ca 0.00 -2.13 -0.11 0.00 0.02 0.00 0.00 55.97 53.75 2k2r s LYS 98 Cb 0.00 -3.66 0.21 0.00 -0.52 0.00 0.00 37.83 33.86 2k2r s LYS 98 CO 0.00 -1.12 1.10 -2.14 -0.92 0.00 0.00 175.35 172.27 2k2r s PRO 99 N 0.63 0.18 -0.10 -1.68 0.02 -1.26 -4.97 135.00 127.82 2k2r s PRO 99 Ca 0.12 1.27 -0.27 0.00 0.02 0.00 0.00 61.00 62.14 2k2r s PRO 99 Cb -0.22 -1.65 -0.24 0.00 0.02 0.00 0.00 34.50 32.42 2k2r s PRO 99 CO -0.04 -3.11 0.89 0.87 -0.33 0.00 0.00 177.00 175.28 2k2r h LYS 100 N -2.21 -0.01 0.00 5.54 1.57 -1.96 -3.46 116.57 116.05 2k2r h LYS 100 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2k2r h LYS 100 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 2k2r h LYS 100 CO 0.45 0.81 0.00 -0.35 -0.57 0.00 0.00 179.45 179.79 2k2r n PRO 101 N -4.69 2.36 -3.48 3.15 -0.05 -1.26 -5.10 135.00 125.92 2k2r n PRO 101 Ca -0.09 0.00 -0.13 0.00 -0.05 0.00 0.00 63.50 63.23 2k2r n PRO 101 Cb 0.40 0.00 -0.03 0.00 -0.05 0.00 0.00 33.50 33.82 2k2r n PRO 101 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 175.50 174.47 2k2r s ARG 102 N 0.00 1.05 0.46 0.54 1.70 -1.26 -5.00 118.95 116.44 2k2r s ARG 102 Ca 0.00 -0.17 0.27 0.00 -0.47 0.00 0.00 55.73 55.36 2k2r s ARG 102 Cb 0.00 0.49 0.93 0.00 -0.57 0.00 0.00 34.95 35.80 2k2r s ARG 102 CO 0.00 -0.41 1.08 -2.30 -1.08 0.00 0.00 175.30 172.59 2k2r n PRO 103 N 0.12 0.01 0.14 3.89 -0.02 -1.26 0.68 135.00 138.55 2k2r n PRO 103 Ca -0.15 0.82 -0.07 0.00 -2.02 0.00 0.00 63.50 62.08 2k2r n PRO 103 Cb 0.61 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 2k2r n PRO 103 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k2r h GLU 104 N 0.00 -0.42 -1.07 -0.52 5.08 -1.95 -1.99 114.58 113.71 2k2r h GLU 104 Ca 0.50 0.03 0.34 0.00 -1.00 0.00 0.00 59.36 59.24 2k2r h GLU 104 Cb 2.53 0.10 -0.14 0.00 0.50 0.00 0.00 28.75 31.73 2k2r h GLU 104 CO -0.01 -0.28 0.64 -0.44 -1.00 0.00 0.00 179.01 177.92 2k2r h ASP 105 N -1.07 0.44 0.09 1.42 3.32 -0.14 0.39 116.42 120.87 2k2r h ASP 105 Ca -0.04 0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 2k2r h ASP 105 Cb 0.33 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2k2r h ASP 105 CO 0.07 -0.14 -0.04 0.40 -1.72 0.00 0.00 179.24 177.82 2k2r h ILE 106 N 0.27 0.00 -1.34 0.35 1.08 -1.41 -2.99 117.51 113.47 2k2r h ILE 106 Ca 0.74 -0.06 0.40 0.00 -0.39 0.00 0.00 64.86 65.55 2k2r h ILE 106 Cb 1.87 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 35.53 2k2r h ILE 106 CO -0.54 0.00 0.91 0.58 -0.69 0.00 0.00 178.15 178.41 2k2r h VAL 107 N -0.17 0.26 0.00 1.67 2.07 -0.54 0.31 116.25 119.84 2k2r h VAL 107 Ca -0.01 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2k2r h VAL 107 Cb 0.09 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 2k2r h VAL 107 CO 0.02 0.02 0.00 -3.20 0.02 0.00 0.00 177.57 174.43 2k2r n ASN 108 N -4.42 0.01 0.00 0.57 2.85 0.13 -4.45 115.26 109.95 2k2r n ASN 108 Ca 0.33 -0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.76 2k2r n ASN 108 Cb 1.36 -0.00 0.00 0.00 1.24 0.00 0.00 39.78 42.38 2k2r n ASN 108 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k2r n ASP 110 N 0.88 0.14 0.00 0.00 5.68 -1.19 -4.82 116.55 117.24 2k2r n ASP 110 Ca 0.00 0.64 0.00 0.00 -0.50 0.00 0.00 54.79 54.93 2k2r n ASP 110 Cb 0.26 -1.37 0.00 0.00 -1.14 0.00 0.00 41.12 38.87 2k2r n ASP 110 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2k2r n LEU 111 N -1.47 0.03 0.00 -2.12 7.99 -1.26 -4.20 117.00 115.97 2k2r n LEU 111 Ca 0.12 0.04 0.00 0.00 -0.01 0.00 0.00 56.01 56.17 2k2r n LEU 111 Cb 0.50 -0.44 0.00 0.00 -0.11 0.00 0.00 43.42 43.36 2k2r n LEU 111 CO 0.49 -0.44 0.18 1.17 -1.51 0.00 0.00 177.39 177.28 2k2r n LYS 112 N -2.33 0.00 0.48 3.23 4.81 -1.26 -0.47 118.16 122.62 2k2r n LYS 112 Ca 0.00 0.37 -0.19 0.00 -0.87 0.00 0.00 58.31 57.61 2k2r n LYS 112 Cb 0.00 -0.60 -0.09 0.00 0.02 0.00 0.00 35.03 34.35 2k2r n LYS 112 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2k2r h SER 113 N 0.00 -1.04 -1.57 3.14 4.64 -1.93 -2.44 113.55 114.34 2k2r h SER 113 Ca 0.00 0.03 0.47 0.00 -0.47 0.00 0.00 61.79 61.83 2k2r h SER 113 Cb 0.00 0.27 -0.09 0.00 -0.31 0.00 0.00 62.40 62.27 2k2r h SER 113 CO 0.00 -0.71 1.10 0.00 -0.87 0.00 0.00 176.83 176.35 2k2r h THR 114 N -1.30 0.14 -0.07 2.95 1.03 -1.64 1.28 112.91 115.30 2k2r h THR 114 Ca -0.13 -0.01 -0.01 0.00 -0.01 0.00 0.00 66.41 66.25 2k2r h THR 114 Cb 0.95 0.10 -0.00 0.00 -1.07 0.00 0.00 68.15 68.12 2k2r h THR 114 CO 0.21 0.01 -0.00 -0.07 -0.01 0.00 0.00 175.52 175.65 2k2r h LEU 115 N 0.04 0.12 -0.43 0.00 -0.00 -0.30 -1.00 115.31 113.73 2k2r h LEU 115 Ca 0.82 -0.32 0.09 0.00 -0.00 0.00 0.00 57.88 58.46 2k2r h LEU 115 Cb 3.01 -0.03 -0.09 0.00 -0.00 0.00 0.00 40.66 43.54 2k2r h LEU 115 CO -0.16 0.41 -0.22 0.03 -0.00 0.00 0.00 178.44 178.51 2k2r h ARG 116 N -0.18 -0.13 0.54 1.13 3.08 0.19 -0.42 114.38 118.60 2k2r h ARG 116 Ca 0.02 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 2k2r h ARG 116 Cb 0.35 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.44 2k2r h ARG 116 CO 0.00 -0.09 -0.26 0.28 -1.07 0.00 0.00 179.97 178.84 2k2r h VAL 117 N -0.13 0.43 -0.73 2.04 2.07 -1.37 -2.74 116.25 115.82 2k2r h VAL 117 Ca 0.21 -0.20 0.15 0.00 0.82 0.00 0.00 66.70 67.68 2k2r h VAL 117 Cb 0.46 0.52 -0.10 0.00 -1.52 0.00 0.00 31.29 30.64 2k2r h VAL 117 CO -0.52 0.03 0.21 -0.07 0.02 0.00 0.00 177.57 177.25 2k2r h LEU 118 N -0.85 0.10 -0.52 2.57 -0.00 -0.85 0.35 115.31 116.12 2k2r h LEU 118 Ca -0.07 0.13 0.10 0.00 -0.00 0.00 0.00 57.88 58.04 2k2r h LEU 118 Cb 0.61 0.16 -0.10 0.00 -0.00 0.00 0.00 40.66 41.32 2k2r h LEU 118 CO 0.12 0.01 -0.20 0.22 -0.00 0.00 0.00 178.44 178.59 2k2r h TYR 119 N 0.32 -0.49 -0.93 1.13 3.20 -0.95 0.59 116.97 119.85 2k2r h TYR 119 Ca 0.40 0.05 0.26 0.00 3.14 0.00 0.00 58.73 62.59 2k2r h TYR 119 Cb 0.66 0.30 -0.14 0.00 1.54 0.00 0.00 36.73 39.09 2k2r h TYR 119 CO -0.23 -0.29 0.38 -0.97 -1.64 0.00 0.00 178.16 175.41 2k2r h ASN 120 N -0.08 0.25 0.34 -2.11 -0.00 -0.01 -0.99 115.58 112.98 2k2r h ASN 120 Ca 0.24 0.18 -0.02 0.00 -0.00 0.00 0.00 56.30 56.71 2k2r h ASN 120 Cb 0.46 0.19 0.00 0.00 -0.00 0.00 0.00 38.32 38.97 2k2r h ASN 120 CO -0.57 -0.11 -0.16 -0.07 -0.00 0.00 0.00 177.43 176.52 2k2r h LEU 121 N 0.30 -0.39 -1.41 0.34 3.38 0.58 -2.83 115.31 115.28 2k2r h LEU 121 Ca 0.61 -0.04 0.35 0.00 0.09 0.00 0.00 57.88 58.89 2k2r h LEU 121 Cb 1.27 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 42.07 2k2r h LEU 121 CO -0.61 0.07 1.17 0.15 0.09 0.00 0.00 178.44 179.31 2k2r h PHE 122 N -1.09 0.00 -0.00 1.13 3.57 -0.38 1.69 116.94 121.86 2k2r h PHE 122 Ca -0.05 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 2k2r h PHE 122 Cb 0.41 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2k2r h PHE 122 CO 0.01 0.00 -0.01 1.15 -2.23 0.00 0.00 178.31 177.23 2k2r h THR 123 N 0.00 1.59 0.00 4.41 2.02 -1.11 -0.30 112.91 119.52 2k2r h THR 123 Ca 0.57 -1.73 -0.06 0.00 0.77 0.00 0.00 66.41 65.95 2k2r h THR 123 Cb 2.91 2.76 -0.01 0.00 -1.74 0.00 0.00 68.15 72.07 2k2r h THR 123 CO -0.01 0.45 -0.30 0.11 0.37 0.00 0.00 175.52 176.15 2k2r h LYS 124 N -0.72 0.00 0.00 6.66 1.57 0.27 -3.26 116.57 121.09 2k2r h LYS 124 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k2r h LYS 124 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 2k2r h LYS 124 CO 0.00 0.30 -1.52 0.66 -0.57 0.00 0.00 179.45 178.32 2k2r n TYR 125 N -3.80 0.00 -0.57 -1.35 4.02 -0.33 -4.30 117.16 110.82 2k2r n TYR 125 Ca -0.01 0.00 0.45 0.00 -0.01 0.00 0.00 57.90 58.33 2k2r n TYR 125 Cb 0.39 -0.29 0.75 0.00 -0.02 0.00 0.00 39.34 40.17 2k2r n TYR 125 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2k2r h ARG 126 N 0.00 0.02 0.00 -0.72 2.43 -1.08 0.57 114.38 115.60 2k2r h ARG 126 Ca 0.00 -0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 58.96 2k2r h ARG 126 Cb 0.64 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 2k2r h ARG 126 CO 0.00 0.01 -2.09 0.09 -1.51 0.00 0.00 179.97 176.47 2k2r n ASN 127 N -4.30 0.64 -4.59 -3.80 5.03 -1.26 -4.90 115.26 102.07 2k2r n ASN 127 Ca 0.41 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.51 2k2r n ASN 127 Cb 1.73 1.27 -0.10 0.00 -1.02 0.00 0.00 39.78 41.66 2k2r n ASN 127 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2k2r s VAL 128 N -2.75 4.63 -2.00 2.41 1.01 0.20 -5.22 120.40 118.69 2k2r s VAL 128 Ca -0.08 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.83 2k2r s VAL 128 Cb 0.08 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.40 2k2r s VAL 128 CO 0.75 0.44 0.57 -0.62 0.00 0.00 0.00 175.10 176.24