#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kay n GLU 2 N 0.00 0.00 -4.02 0.03 4.71 -1.26 -5.14 120.64 114.96 2kay n GLU 2 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.07 2kay n GLU 2 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 31.44 30.33 2kay n GLU 2 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2kay s THR 3 N 0.57 0.17 0.07 2.62 -4.23 -1.26 -5.06 115.64 108.52 2kay s THR 3 Ca 0.00 -1.38 0.31 0.00 -1.18 0.00 0.00 61.69 59.44 2kay s THR 3 Cb 0.00 -0.99 0.36 0.00 1.34 0.00 0.00 72.50 73.20 2kay s THR 3 CO 0.00 -0.76 1.93 1.55 -0.54 0.00 0.00 174.62 176.79 2kay h PRO 4 N 3.73 0.00 0.20 3.99 0.13 -2.00 -0.58 132.00 137.46 2kay h PRO 4 Ca -0.33 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.48 2kay h PRO 4 Cb 1.17 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.32 2kay h PRO 4 CO 0.55 0.04 -1.48 1.25 -0.23 0.00 0.00 178.00 178.14 2kay h LEU 5 N 0.00 0.66 -0.80 1.56 6.46 -1.98 -2.43 115.31 118.78 2kay h LEU 5 Ca -0.00 -0.92 -0.07 0.00 -0.12 0.00 0.00 57.88 56.76 2kay h LEU 5 Cb 0.59 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 2kay h LEU 5 CO 0.01 1.69 0.08 -0.08 -0.62 0.00 0.00 178.44 179.51 2kay h GLU 6 N 0.00 0.99 -0.14 1.25 4.22 -1.94 -2.02 114.58 116.94 2kay h GLU 6 Ca -0.28 -0.26 -0.14 0.00 0.08 0.00 0.00 59.36 58.77 2kay h GLU 6 Cb 2.02 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.14 2kay h GLU 6 CO 0.20 0.92 -0.51 -0.22 -2.18 0.00 0.00 179.01 177.22 2kay h LYS 7 N 0.93 0.38 -0.32 1.92 1.63 -1.22 -0.32 116.57 119.57 2kay h LYS 7 Ca 0.19 -0.22 0.03 0.00 -0.85 0.00 0.00 60.65 59.79 2kay h LYS 7 Cb 0.42 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.04 2kay h LYS 7 CO 0.01 0.80 0.14 0.00 -3.45 0.00 0.00 179.45 176.95 2kay h ALA 8 N 1.16 0.38 -0.43 5.00 0.00 -1.15 0.31 119.26 124.53 2kay h ALA 8 Ca 0.01 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2kay h ALA 8 Cb 0.99 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2kay h ALA 8 CO 0.09 -0.25 0.00 -0.07 0.00 0.00 0.00 179.25 179.02 2kay h LEU 9 N 0.29 0.66 -0.72 0.00 3.38 -1.13 -2.64 115.31 115.15 2kay h LEU 9 Ca 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2kay h LEU 9 Cb 0.08 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2kay h LEU 9 CO -0.12 0.72 0.43 0.74 0.09 0.00 0.00 178.44 180.30 2kay h THR 10 N 0.65 1.21 -0.54 0.22 2.02 -0.79 -3.01 112.91 112.67 2kay h THR 10 Ca 0.13 -0.48 0.06 0.00 0.77 0.00 0.00 66.41 66.89 2kay h THR 10 Cb 0.40 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2kay h THR 10 CO 0.01 0.22 0.36 0.74 0.37 0.00 0.00 175.52 177.23 2kay h THR 11 N 0.99 0.99 0.15 3.16 2.02 -0.56 -2.47 112.91 117.19 2kay h THR 11 Ca 0.26 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 2kay h THR 11 Cb -0.01 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2kay h THR 11 CO -0.05 0.09 -0.21 0.24 0.37 0.00 0.00 175.52 175.96 2kay h MET 12 N 0.51 -0.37 0.00 6.66 2.07 -1.45 -1.20 114.93 121.15 2kay h MET 12 Ca 0.23 0.02 -0.03 0.00 -2.07 0.00 0.00 59.70 57.86 2kay h MET 12 Cb 0.27 0.08 -0.00 0.00 -1.87 0.00 0.00 31.60 30.08 2kay h MET 12 CO -0.06 -0.24 -0.13 -0.39 1.07 0.00 0.00 176.91 177.15 2kay h VAL 13 N -0.38 0.93 -0.07 -2.22 -1.51 -1.59 0.85 116.25 112.26 2kay h VAL 13 Ca -0.02 -0.47 -0.03 0.00 -1.23 0.00 0.00 66.70 64.95 2kay h VAL 13 Cb 0.34 1.27 -0.00 0.00 -2.13 0.00 0.00 31.29 30.77 2kay h VAL 13 CO -0.06 0.13 -0.07 0.74 -1.23 0.00 0.00 177.57 177.08 2kay h THR 14 N 0.00 1.38 0.08 7.19 2.02 -1.33 -2.96 112.91 119.29 2kay h THR 14 Ca -0.00 -1.25 -0.26 0.00 0.77 0.00 0.00 66.41 65.67 2kay h THR 14 Cb 0.26 2.06 0.01 0.00 -1.74 0.00 0.00 68.15 68.73 2kay h THR 14 CO 0.02 0.34 -1.12 0.00 0.37 0.00 0.00 175.52 175.13 2kay h THR 15 N -0.28 1.45 -0.66 3.16 1.03 -1.05 -3.36 112.91 113.20 2kay h THR 15 Ca 0.01 -2.79 0.11 0.00 -0.01 0.00 0.00 66.41 63.73 2kay h THR 15 Cb 0.59 2.73 -0.08 0.00 -1.07 0.00 0.00 68.15 70.32 2kay h THR 15 CO 0.02 0.82 0.26 0.15 -0.01 0.00 0.00 175.52 176.76 2kay h PHE 16 N 0.14 0.45 0.00 0.00 3.57 -0.84 -1.34 116.94 118.93 2kay h PHE 16 Ca -0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2kay h PHE 16 Cb 1.81 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.45 2kay h PHE 16 CO 0.06 0.10 0.00 0.72 -2.23 0.00 0.00 178.31 176.97 2kay n HIS 17 N -4.98 0.34 0.15 0.41 8.25 -1.12 -0.66 115.22 117.60 2kay n HIS 17 Ca 0.11 0.14 -0.00 0.00 -0.26 0.00 0.00 57.72 57.70 2kay n HIS 17 Cb 0.31 -0.72 0.22 0.00 1.12 0.00 0.00 29.99 30.92 2kay n HIS 17 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2kay h LYS 18 N 0.00 0.01 0.00 -0.41 6.56 -1.44 -3.17 116.57 118.12 2kay h LYS 18 Ca 0.00 -0.01 -0.38 0.00 -1.06 0.00 0.00 60.65 59.21 2kay h LYS 18 Cb 0.28 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 31.88 2kay h LYS 18 CO 0.00 0.56 -2.30 0.66 -2.06 0.00 0.00 179.45 176.31 2kay n TYR 19 N -3.88 0.00 0.26 -1.35 4.01 -0.46 -4.56 117.16 111.18 2kay n TYR 19 Ca -0.01 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.86 2kay n TYR 19 Cb 0.56 -0.85 0.72 0.00 -0.31 0.00 0.00 39.34 39.46 2kay n TYR 19 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2kay h SER 20 N -0.56 0.00 -0.03 7.72 4.64 -1.07 -2.70 113.55 121.56 2kay h SER 20 Ca -0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 2kay h SER 20 Cb 1.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 2kay h SER 20 CO -0.27 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.42 2kay n GLY 21 N -0.61 -0.83 0.00 -0.77 0.00 -1.20 -3.82 105.19 97.97 2kay n GLY 21 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2kay n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kay n ARG 22 N -0.51 0.00 -1.05 1.61 3.00 -1.02 -4.91 116.66 113.79 2kay n ARG 22 Ca 0.07 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.61 2kay n ARG 22 Cb 0.06 0.00 0.13 0.00 0.00 0.00 0.00 32.46 32.65 2kay n ARG 22 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2kay s GLU 23 N 0.45 1.45 6.88 5.56 2.02 -1.26 -4.87 118.70 128.93 2kay s GLU 23 Ca 0.00 1.15 0.00 0.00 0.02 0.00 0.00 54.97 56.14 2kay s GLU 23 Cb 0.00 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.42 2kay s GLU 23 CO 0.00 -2.20 0.00 0.41 0.02 0.00 0.00 175.26 173.49 2kay n GLY 24 N -0.68 3.31 3.77 -1.39 0.00 -1.26 -4.41 105.19 104.52 2kay n GLY 24 Ca 0.09 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 2kay n GLY 24 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kay s SER 25 N -4.00 5.49 0.46 1.61 0.15 -1.26 -4.97 113.70 111.18 2kay s SER 25 Ca 0.00 2.15 0.26 0.00 0.70 0.00 0.00 55.95 59.06 2kay s SER 25 Cb 0.00 -2.57 0.88 0.00 -1.71 0.00 0.00 66.02 62.62 2kay s SER 25 CO 0.00 -1.38 1.80 0.11 1.20 0.00 0.00 173.24 174.98 2kay h LYS 26 N 0.84 0.00 0.00 5.44 1.57 -1.77 -3.12 116.57 119.53 2kay h LYS 26 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2kay h LYS 26 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2kay h LYS 26 CO 0.56 0.15 -0.20 -0.11 -0.57 0.00 0.00 179.45 179.28 2kay n LEU 27 N -3.24 0.32 -4.54 2.94 7.94 -1.26 -3.40 117.00 115.76 2kay n LEU 27 Ca 0.01 0.35 -0.27 0.00 -1.11 0.00 0.00 56.01 54.99 2kay n LEU 27 Cb 0.44 -0.37 -0.10 0.00 0.53 0.00 0.00 43.42 43.91 2kay n LEU 27 CO 0.32 0.00 -0.44 0.42 -1.11 0.00 0.00 177.39 176.59 2kay s THR 28 N -3.03 3.01 -0.27 1.96 -4.23 -1.18 -3.71 115.64 108.19 2kay s THR 28 Ca 0.12 -1.73 0.03 0.00 -1.18 0.00 0.00 61.69 58.92 2kay s THR 28 Cb 0.17 -2.48 0.07 0.00 1.34 0.00 0.00 72.50 71.59 2kay s THR 28 CO 0.60 -0.11 -0.07 -1.48 -0.54 0.00 0.00 174.62 173.03 2kay s LEU 29 N -2.79 3.43 1.07 4.79 0.05 -0.35 -4.41 118.68 120.47 2kay s LEU 29 Ca 0.24 -1.47 -0.16 0.00 0.05 0.00 0.00 54.13 52.79 2kay s LEU 29 Cb -0.09 -1.46 0.23 0.00 -2.05 0.00 0.00 46.19 42.82 2kay s LEU 29 CO 0.14 -0.24 1.13 -0.55 -0.55 0.00 0.00 176.35 176.29 2kay s SER 30 N 1.15 2.07 0.00 1.48 0.15 -1.26 -2.63 113.70 114.66 2kay s SER 30 Ca -0.05 0.80 0.01 0.00 0.70 0.00 0.00 55.95 57.42 2kay s SER 30 Cb -0.20 -1.21 0.06 0.00 -1.71 0.00 0.00 66.02 62.97 2kay s SER 30 CO -0.06 -3.43 0.39 -1.14 1.20 0.00 0.00 173.24 170.20 2kay n ARG 31 N -4.32 0.32 0.00 5.44 0.63 -1.26 -0.82 116.66 116.65 2kay n ARG 31 Ca 0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 2kay n ARG 31 Cb 0.59 -1.05 0.00 0.00 0.45 0.00 0.00 32.46 32.45 2kay n ARG 31 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2kay n LYS 32 N -0.55 0.79 0.03 -0.14 4.01 -1.26 -4.28 118.16 116.75 2kay n LYS 32 Ca 0.01 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.70 2kay n LYS 32 Cb 0.00 -0.97 -0.04 0.00 -0.51 0.00 0.00 35.03 33.51 2kay n LYS 32 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 2kay h GLU 33 N 0.00 -0.38 -0.02 1.97 5.08 -1.58 -2.75 114.58 116.90 2kay h GLU 33 Ca 0.00 0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.21 2kay h GLU 33 Cb 0.95 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2kay h GLU 33 CO 0.00 -0.25 -0.78 1.25 -1.00 0.00 0.00 179.01 178.23 2kay h LEU 34 N -0.39 0.24 -0.53 1.33 5.85 -1.19 -2.72 115.31 117.89 2kay h LEU 34 Ca 0.08 -0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.73 2kay h LEU 34 Cb 0.52 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 2kay h LEU 34 CO -0.30 0.92 0.05 0.50 -0.34 0.00 0.00 178.44 179.28 2kay h LYS 35 N 0.12 0.17 -0.19 1.25 3.64 -1.72 -1.19 116.57 118.65 2kay h LYS 35 Ca -0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2kay h LYS 35 Cb 1.36 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2kay h LYS 35 CO 0.12 0.11 0.00 -1.91 -2.27 0.00 0.00 179.45 175.50 2kay n GLU 36 N -5.19 1.87 -0.00 1.90 4.07 -1.05 -1.23 120.64 121.01 2kay n GLU 36 Ca 0.07 -1.30 -0.01 0.00 -0.06 0.00 0.00 57.16 55.85 2kay n GLU 36 Cb 0.29 -1.42 -0.01 0.00 -0.06 0.00 0.00 31.44 30.24 2kay n GLU 36 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2kay h LEU 37 N 2.66 -0.07 -0.74 4.31 6.46 -1.13 -3.38 115.31 123.42 2kay h LEU 37 Ca 0.00 0.00 0.14 0.00 -0.12 0.00 0.00 57.88 57.90 2kay h LEU 37 Cb 0.58 0.02 -0.10 0.00 -0.73 0.00 0.00 40.66 40.44 2kay h LEU 37 CO 0.00 0.32 0.28 0.40 -0.62 0.00 0.00 178.44 178.82 2kay h ILE 38 N -0.83 0.65 0.00 4.05 2.04 -1.18 -0.24 117.51 122.00 2kay h ILE 38 Ca -0.01 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 2kay h ILE 38 Cb 0.06 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 2kay h ILE 38 CO 0.01 0.08 -0.00 0.11 0.00 0.00 0.00 178.15 178.35 2kay h LYS 39 N 0.42 0.00 0.00 2.37 1.79 -1.39 -0.28 116.57 119.48 2kay h LYS 39 Ca 0.41 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.54 2kay h LYS 39 Cb 0.62 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.21 2kay h LYS 39 CO -0.41 0.00 -2.29 1.63 -1.08 0.00 0.00 179.45 177.29 2kay n LYS 40 N -3.08 0.64 0.00 3.15 5.02 -0.24 -4.31 118.16 119.33 2kay n LYS 40 Ca -0.02 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2kay n LYS 40 Cb 0.14 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 2kay n LYS 40 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2kay n GLU 41 N -3.10 0.00 -0.96 1.97 2.13 -0.40 -3.92 120.64 116.36 2kay n GLU 41 Ca -0.39 0.15 -0.11 0.00 0.66 0.00 0.00 57.16 57.46 2kay n GLU 41 Cb 0.95 -1.12 -0.13 0.00 0.27 0.00 0.00 31.44 31.41 2kay n GLU 41 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2kay n LEU 42 N -0.90 5.38 -0.20 4.31 4.77 -0.13 -4.63 117.00 125.60 2kay n LEU 42 Ca 0.00 -3.13 0.00 0.00 -0.03 0.00 0.00 56.01 52.85 2kay n LEU 42 Cb 0.00 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 39.74 2kay n LEU 42 CO 0.00 1.58 0.17 0.00 -1.33 0.00 0.00 177.39 177.81 2kay n LEU 44 N -0.18 0.59 0.00 0.00 -0.00 -1.26 -5.09 117.00 111.06 2kay n LEU 44 Ca 0.00 -0.73 -0.27 0.00 -0.00 0.00 0.00 56.01 55.01 2kay n LEU 44 Cb 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.43 2kay n LEU 44 CO 0.00 0.15 -0.08 0.61 -0.00 0.00 0.00 177.39 178.07 2kay n GLY 45 N 0.27 3.17 1.29 1.47 0.00 -1.09 -5.03 105.19 105.28 2kay n GLY 45 Ca 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 46.02 43.69 2kay n GLY 45 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kay n GLU 46 N -1.45 0.58 -1.20 1.61 4.71 -1.26 -4.80 120.64 118.83 2kay n GLU 46 Ca -0.11 0.00 -0.24 0.00 -0.01 0.00 0.00 57.16 56.80 2kay n GLU 46 Cb 0.59 -1.21 -0.10 0.00 -1.01 0.00 0.00 31.44 29.71 2kay n GLU 46 CO 0.00 0.00 0.00 -0.12 0.09 0.00 0.00 177.13 177.10 2kay n MET 47 N 1.12 2.76 -2.02 3.49 1.56 -1.26 -4.72 117.12 118.05 2kay n MET 47 Ca 0.00 -1.66 -0.29 0.00 -0.27 0.00 0.00 57.70 55.48 2kay n MET 47 Cb 0.29 -2.32 0.06 0.00 2.15 0.00 0.00 33.22 33.40 2kay n MET 47 CO 0.00 0.00 0.00 0.21 -0.73 0.00 0.00 175.97 175.45 2kay s LYS 48 N 1.05 2.56 0.19 2.12 2.20 -1.26 -4.80 119.74 121.81 2kay s LYS 48 Ca 0.67 0.20 -0.19 0.00 -0.36 0.00 0.00 55.97 56.28 2kay s LYS 48 Cb 0.27 -2.07 0.15 0.00 -1.51 0.00 0.00 37.83 34.67 2kay s LYS 48 CO -0.04 -1.14 1.59 1.49 -0.36 0.00 0.00 175.35 176.88 2kay h GLU 49 N -0.66 -0.13 -0.04 4.03 4.57 -1.99 -0.21 114.58 120.15 2kay h GLU 49 Ca -0.45 0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 57.61 2kay h GLU 49 Cb 1.28 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 2kay h GLU 49 CO 0.63 -0.09 -0.54 0.77 -1.18 0.00 0.00 179.01 178.61 2kay h SER 50 N -0.13 0.11 0.50 1.04 0.02 -1.96 -0.53 113.55 112.61 2kay h SER 50 Ca 0.25 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2kay h SER 50 Cb 0.54 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 2kay h SER 50 CO -0.69 0.63 -0.01 0.28 -1.14 0.00 0.00 176.83 175.90 2kay h SER 51 N 0.08 0.00 0.29 3.07 0.02 -1.37 -2.52 113.55 113.12 2kay h SER 51 Ca -0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.62 2kay h SER 51 Cb 0.98 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.46 2kay h SER 51 CO 0.08 0.01 -1.97 -0.38 -1.14 0.00 0.00 176.83 173.42 2kay n ILE 52 N -3.14 1.54 -0.07 3.27 5.41 -0.49 -4.03 119.36 121.85 2kay n ILE 52 Ca -0.01 -0.81 -0.14 0.00 1.00 0.00 0.00 62.75 62.79 2kay n ILE 52 Cb 0.19 -0.88 -0.06 0.00 -0.71 0.00 0.00 39.64 38.19 2kay n ILE 52 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2kay h ASP 53 N 0.00 0.65 0.29 4.38 1.82 -0.76 0.15 116.42 122.95 2kay h ASP 53 Ca -0.39 -0.50 -0.11 0.00 -0.39 0.00 0.00 57.03 55.64 2kay h ASP 53 Cb 2.09 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 41.91 2kay h ASP 53 CO 0.06 1.02 -0.43 -0.78 -1.61 0.00 0.00 179.24 177.51 2kay h ASP 54 N 0.29 0.20 0.46 2.28 3.58 -1.70 -0.50 116.42 121.02 2kay h ASP 54 Ca 0.03 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 2kay h ASP 54 Cb 0.87 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2kay h ASP 54 CO 0.07 0.61 -0.22 0.25 -2.88 0.00 0.00 179.24 177.07 2kay h LEU 55 N 0.16 -0.52 -0.94 2.28 7.12 -1.66 -2.01 115.31 119.74 2kay h LEU 55 Ca 0.01 -0.00 0.16 0.00 0.13 0.00 0.00 57.88 58.18 2kay h LEU 55 Cb 0.83 0.13 -0.10 0.00 -0.53 0.00 0.00 40.66 40.99 2kay h LEU 55 CO 0.06 -0.35 0.54 0.24 -0.13 0.00 0.00 178.44 178.81 2kay h MET 56 N -0.65 0.73 0.00 1.25 2.86 -0.52 0.66 114.93 119.25 2kay h MET 56 Ca -0.06 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 2kay h MET 56 Cb 0.49 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 2kay h MET 56 CO 0.10 0.48 -0.25 -0.22 1.06 0.00 0.00 176.91 178.08 2kay h LYS 57 N 0.75 0.00 0.00 1.72 3.64 -0.90 -1.87 116.57 119.91 2kay h LYS 57 Ca 0.51 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.88 2kay h LYS 57 Cb 0.71 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 2kay h LYS 57 CO -0.35 0.25 -1.30 0.45 -2.27 0.00 0.00 179.45 176.23 2kay n SER 58 N -3.80 0.63 -0.18 4.20 2.88 -0.47 -4.20 113.62 112.67 2kay n SER 58 Ca -0.01 0.24 -0.09 0.00 -1.33 0.00 0.00 58.87 57.68 2kay n SER 58 Cb 0.35 0.83 0.01 0.00 -0.75 0.00 0.00 64.21 64.64 2kay n SER 58 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2kay h LEU 59 N 0.00 0.82-10.15 2.46 3.38 -0.61 -3.46 115.31 107.75 2kay h LEU 59 Ca -0.02 -0.27 -0.50 0.00 0.09 0.00 0.00 57.88 57.19 2kay h LEU 59 Cb 1.06 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2kay h LEU 59 CO 0.00 0.88 0.07 -0.62 0.09 0.00 0.00 178.44 178.87 2kay s ASP 60 N -6.26 6.50 -0.01 -0.43 2.15 -0.73 -4.69 116.67 113.20 2kay s ASP 60 Ca -0.13 1.06 0.01 0.00 0.43 0.00 0.00 52.55 53.93 2kay s ASP 60 Cb 0.12 -2.29 0.02 0.00 -0.30 0.00 0.00 42.92 40.47 2kay s ASP 60 CO 0.81 -0.37 0.88 0.29 -0.17 0.00 0.00 175.17 176.61 2kay n LYS 61 N -1.26 2.02 0.00 4.34 4.01 -1.26 -4.93 118.16 121.07 2kay n LYS 61 Ca 0.02 -1.30 0.00 0.00 -0.51 0.00 0.00 58.31 56.51 2kay n LYS 61 Cb 0.54 -0.89 0.00 0.00 -0.51 0.00 0.00 35.03 34.17 2kay n LYS 61 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2kay n ASN 62 N -0.42 0.59 -0.53 4.39 4.13 -1.26 -5.03 115.26 117.13 2kay n ASN 62 Ca 0.01 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.22 2kay n ASN 62 Cb 0.36 0.03 -0.01 0.00 -1.54 0.00 0.00 39.78 38.62 2kay n ASN 62 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2kay n SER 63 N -1.16 -2.65 0.04 6.41 2.88 -1.26 -4.98 113.62 112.90 2kay n SER 63 Ca 0.00 0.04 0.11 0.00 -1.33 0.00 0.00 58.87 57.69 2kay n SER 63 Cb 0.07 -1.59 -0.01 0.00 -0.75 0.00 0.00 64.21 61.92 2kay n SER 63 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2kay n ASP 64 N 1.06 0.58 0.00 -3.46 5.75 -1.26 -4.98 116.55 114.24 2kay n ASP 64 Ca -0.06 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 2kay n ASP 64 Cb 0.43 0.87 0.00 0.00 -1.03 0.00 0.00 41.12 41.39 2kay n ASP 64 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 2kay n GLN 65 N -2.20 0.00 -3.97 0.11 0.00 -1.26 -4.99 117.38 105.06 2kay n GLN 65 Ca 0.01 0.00 -0.36 0.00 -0.00 0.00 0.00 57.00 56.64 2kay n GLN 65 Cb 0.49 -3.62 -0.06 0.00 0.00 0.00 0.00 30.24 27.05 2kay n GLN 65 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2kay s GLU 66 N -0.56 3.35 -0.36 3.69 2.02 -1.26 -4.02 118.70 121.56 2kay s GLU 66 Ca 0.00 -0.21 -0.13 0.00 0.02 0.00 0.00 54.97 54.65 2kay s GLU 66 Cb 0.00 -3.11 -0.00 0.00 0.10 0.00 0.00 34.13 31.12 2kay s GLU 66 CO 0.00 0.75 0.26 0.42 0.02 0.00 0.00 175.26 176.71 2kay s ILE 67 N -1.04 5.24 0.69 -1.63 -1.09 -1.08 -4.95 121.20 117.34 2kay s ILE 67 Ca 0.16 -0.38 -0.11 0.00 -2.23 0.00 0.00 60.65 58.09 2kay s ILE 67 Cb -0.12 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 2kay s ILE 67 CO 0.06 -0.11 1.06 -0.62 -1.23 0.00 0.00 174.94 174.10 2kay s ASP 68 N 1.70 5.47 0.57 3.58 2.15 -1.26 -1.21 116.67 127.67 2kay s ASP 68 Ca 0.06 1.48 0.26 0.00 0.43 0.00 0.00 52.55 54.78 2kay s ASP 68 Cb -0.18 -2.38 1.62 0.00 -0.30 0.00 0.00 42.92 41.68 2kay s ASP 68 CO 0.10 -1.37 2.16 0.15 -0.17 0.00 0.00 175.17 176.04 2kay h PHE 69 N -0.67 0.00 0.06 -5.34 3.57 -1.99 -0.21 116.94 112.37 2kay h PHE 69 Ca -0.44 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 60.82 2kay h PHE 69 Cb 1.22 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 2kay h PHE 69 CO 0.60 0.00 -1.11 0.87 -2.23 0.00 0.00 178.31 176.44 2kay h LYS 70 N 0.00 0.14 -0.29 1.11 1.57 -1.94 -2.05 116.57 115.11 2kay h LYS 70 Ca 0.05 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2kay h LYS 70 Cb 0.26 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2kay h LYS 70 CO -0.00 1.11 0.18 0.93 -0.57 0.00 0.00 179.45 181.10 2kay h GLU 71 N 0.04 0.40 -0.37 3.15 5.08 -1.50 -2.74 114.58 118.63 2kay h GLU 71 Ca -0.07 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2kay h GLU 71 Cb 1.86 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.00 2kay h GLU 71 CO 0.17 0.30 0.25 -0.92 -1.00 0.00 0.00 179.01 177.81 2kay h TYR 72 N 0.38 0.30 0.00 4.33 3.20 -1.11 0.54 116.97 124.61 2kay h TYR 72 Ca 0.11 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 2kay h TYR 72 Cb -0.00 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 2kay h TYR 72 CO -0.05 0.17 -0.06 0.77 -1.64 0.00 0.00 178.16 177.35 2kay h SER 73 N 0.30 0.00 0.19 -2.11 0.02 -1.06 -1.42 113.55 109.48 2kay h SER 73 Ca 0.16 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.91 2kay h SER 73 Cb 0.26 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 2kay h SER 73 CO -0.03 0.06 -0.77 0.58 -1.14 0.00 0.00 176.83 175.52 2kay h VAL 74 N 0.00 1.36 0.13 2.27 2.07 -0.81 -0.91 116.25 120.37 2kay h VAL 74 Ca -0.00 -2.16 -0.01 0.00 0.82 0.00 0.00 66.70 65.36 2kay h VAL 74 Cb 0.11 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 2kay h VAL 74 CO 0.01 0.65 -0.06 0.15 0.02 0.00 0.00 177.57 178.34 2kay h PHE 75 N 0.32 -0.17 -0.38 1.57 3.57 -1.25 -1.30 116.94 119.30 2kay h PHE 75 Ca -0.04 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.47 2kay h PHE 75 Cb 1.37 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 40.14 2kay h PHE 75 CO 0.05 -0.02 0.25 -0.07 -2.23 0.00 0.00 178.31 176.30 2kay h LEU 76 N -0.28 0.37 -0.25 0.59 3.38 -1.30 -0.43 115.31 117.40 2kay h LEU 76 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2kay h LEU 76 Cb 0.22 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2kay h LEU 76 CO 0.03 0.26 0.15 0.74 0.09 0.00 0.00 178.44 179.72 2kay h THR 77 N 0.44 1.08 -0.60 0.22 2.02 -0.94 -0.24 112.91 114.89 2kay h THR 77 Ca 0.15 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 67.19 2kay h THR 77 Cb 0.06 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 2kay h THR 77 CO -0.03 0.08 0.35 0.24 0.37 0.00 0.00 175.52 176.52 2kay h MET 78 N 0.32 0.66 -0.19 6.66 2.86 0.09 -0.53 114.93 124.80 2kay h MET 78 Ca 0.09 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.57 2kay h MET 78 Cb -0.01 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.51 2kay h MET 78 CO -0.02 0.44 -0.34 -0.07 1.06 0.00 0.00 176.91 177.97 2kay h LEU 79 N 0.68 0.63 -1.64 1.22 3.38 -1.24 -1.36 115.31 116.98 2kay h LEU 79 Ca 0.25 -0.54 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 2kay h LEU 79 Cb 0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2kay h LEU 79 CO -0.12 1.05 -0.19 0.00 0.09 0.00 0.00 178.44 179.26 2kay h MET 81 N 0.00 0.84 -0.74 0.00 2.86 -0.99 -3.29 114.93 113.61 2kay h MET 81 Ca -0.00 -0.61 -0.03 0.00 -2.06 0.00 0.00 59.70 57.00 2kay h MET 81 Cb 0.45 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 2kay h MET 81 CO 0.03 1.23 0.35 0.00 1.06 0.00 0.00 176.91 179.58 2kay h ALA 82 N 0.61 1.23 0.00 6.32 0.00 -0.21 -1.11 119.26 126.09 2kay h ALA 82 Ca -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2kay h ALA 82 Cb 1.29 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2kay h ALA 82 CO 0.14 0.59 -0.10 1.88 0.00 0.00 0.00 179.25 181.76 2kay h TYR 83 N 1.05 0.00 -0.19 0.00 0.05 -1.52 -2.73 116.97 113.64 2kay h TYR 83 Ca 0.26 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.93 2kay h TYR 83 Cb 0.11 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.85 2kay h TYR 83 CO 0.01 0.10 -0.30 -0.97 -1.05 0.00 0.00 178.16 175.96 2kay h ASN 84 N 0.00 0.59 -0.27 3.88 -0.73 -1.26 -2.48 115.58 115.31 2kay h ASN 84 Ca -0.00 -0.53 0.00 0.00 1.87 0.00 0.00 56.30 57.64 2kay h ASN 84 Cb 0.34 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 2kay h ASN 84 CO 0.01 1.00 0.17 -0.78 -0.37 0.00 0.00 177.43 177.47 2kay h ASP 85 N 0.19 0.31 -0.96 1.15 1.82 -1.52 -2.94 116.42 114.48 2kay h ASP 85 Ca 0.02 -0.02 0.19 0.00 -0.39 0.00 0.00 57.03 56.83 2kay h ASP 85 Cb 0.88 -0.08 -0.11 0.00 0.68 0.00 0.00 39.33 40.71 2kay h ASP 85 CO 0.07 0.24 0.55 0.15 -1.61 0.00 0.00 179.24 178.63 2kay h PHE 86 N 0.35 0.96 -0.03 0.28 3.04 -1.46 -0.43 116.94 119.65 2kay h PHE 86 Ca 0.10 0.04 -0.12 0.00 3.98 0.00 0.00 57.97 61.97 2kay h PHE 86 Cb -0.03 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.19 2kay h PHE 86 CO -0.06 0.18 -0.53 0.35 -2.02 0.00 0.00 178.31 176.24 2kay h PHE 87 N 0.68 0.09 0.00 0.41 3.04 -1.27 -2.90 116.94 116.99 2kay h PHE 87 Ca 0.56 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.47 2kay h PHE 87 Cb 0.89 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.38 2kay h PHE 87 CO -0.04 0.58 -0.06 -0.07 -2.02 0.00 0.00 178.31 176.71 2kay h LEU 88 N 0.06 0.00 -0.32 0.59 3.38 -0.96 -2.92 115.31 115.13 2kay h LEU 88 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kay h LEU 88 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2kay h LEU 88 CO 0.07 0.06 -0.33 -0.62 0.09 0.00 0.00 178.44 177.70 2kay n GLU 89 N -3.12 0.55 -0.12 1.13 -0.58 -0.82 -4.44 120.64 113.25 2kay n GLU 89 Ca 0.03 -0.32 -0.21 0.00 -0.42 0.00 0.00 57.16 56.24 2kay n GLU 89 Cb 0.52 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.83 2kay n GLU 89 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2kay n ASP 90 N -0.94 1.94 -1.85 1.62 2.03 -1.11 -4.67 116.55 113.58 2kay n ASP 90 Ca 0.10 0.33 -0.06 0.00 0.52 0.00 0.00 54.79 55.68 2kay n ASP 90 Cb 0.34 -0.78 -0.09 0.00 -0.72 0.00 0.00 41.12 39.87 2kay n ASP 90 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2kay n ASN 91 N -4.33 4.76 0.00 1.67 5.03 -1.11 -5.13 115.26 116.16 2kay n ASN 91 Ca -0.38 -2.34 0.02 0.00 0.87 0.00 0.00 54.58 52.75 2kay n ASN 91 Cb 0.73 -1.17 0.10 0.00 -1.02 0.00 0.00 39.78 38.41 2kay n ASN 91 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72