#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i21 s PHE 7 N 0.00 1.68 0.08 1.61 0.40 -1.26 -1.03 117.98 119.46 1i21 s PHE 7 Ca 0.00 -1.01 -0.17 0.00 -0.60 0.00 0.00 56.93 55.15 1i21 s PHE 7 Cb 0.00 -1.02 0.04 0.00 0.51 0.00 0.00 43.02 42.55 1i21 s PHE 7 CO 0.00 -0.12 0.41 1.52 0.70 0.00 0.00 175.22 177.73 1i21 s TYR 8 N -3.49 -0.23 -0.03 0.36 -0.85 0.70 -4.80 117.35 109.01 1i21 s TYR 8 Ca 0.34 0.05 0.03 0.00 -0.52 0.00 0.00 57.07 56.97 1i21 s TYR 8 Cb 0.07 0.24 -0.03 0.00 0.38 0.00 0.00 41.96 42.62 1i21 s TYR 8 CO 0.12 -0.64 -0.12 -1.50 -1.52 0.00 0.00 175.55 171.90 1i21 s ILE 9 N -3.16 3.26 0.22 -3.49 2.07 -1.26 0.59 121.20 119.44 1i21 s ILE 9 Ca -0.01 -0.74 -0.17 0.00 -1.41 0.00 0.00 60.65 58.32 1i21 s ILE 9 Cb 0.01 -2.33 0.02 0.00 0.13 0.00 0.00 42.46 40.29 1i21 s ILE 9 CO -0.07 0.52 0.55 0.00 -1.91 0.00 0.00 174.94 174.03 1i21 s ARG 10 N -0.97 1.50 0.00 3.50 1.70 -0.99 -5.01 118.95 118.69 1i21 s ARG 10 Ca 0.13 -0.99 0.00 0.00 -0.47 0.00 0.00 55.73 54.40 1i21 s ARG 10 Cb -0.11 0.52 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 1i21 s ARG 10 CO 0.03 -0.64 0.00 0.54 -1.08 0.00 0.00 175.30 174.14 1i21 n ARG 11 N -0.37 0.00 -3.62 3.89 1.74 -1.26 -1.17 116.66 115.87 1i21 n ARG 11 Ca -0.07 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.97 1i21 n ARG 11 Cb 0.62 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 32.04 1i21 n ARG 11 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1i21 s GLU 13 N 0.00 0.74 0.43 5.56 2.02 -1.26 -4.74 118.70 121.45 1i21 s GLU 13 Ca 0.00 -0.35 0.23 0.00 0.02 0.00 0.00 54.97 54.87 1i21 s GLU 13 Cb 0.00 0.29 1.23 0.00 0.10 0.00 0.00 34.13 35.75 1i21 s GLU 13 CO 0.00 -0.33 1.76 1.49 0.02 0.00 0.00 175.26 178.20 1i21 h GLU 14 N 2.00 0.27 0.00 1.61 4.81 -1.95 0.66 114.58 121.98 1i21 h GLU 14 Ca -0.22 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1i21 h GLU 14 Cb 1.22 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1i21 h GLU 14 CO 0.27 0.18 0.00 0.41 -0.73 0.00 0.00 179.01 179.14 1i21 n GLY 15 N -1.54 -1.29 0.00 1.92 0.00 -1.26 -4.14 105.19 98.88 1i21 n GLY 15 Ca 0.27 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1i21 n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i21 n ASP 16 N -1.41 0.00 -0.32 1.61 8.00 0.22 -4.53 116.55 120.12 1i21 n ASP 16 Ca 0.09 0.30 -0.09 0.00 0.71 0.00 0.00 54.79 55.81 1i21 n ASP 16 Cb 0.26 -0.43 -0.08 0.00 -0.02 0.00 0.00 41.12 40.86 1i21 n ASP 16 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1i21 h LEU 17 N 0.00 -1.69 -0.56 0.64 5.85 -1.77 -0.29 115.31 117.49 1i21 h LEU 17 Ca 0.00 0.26 0.09 0.00 0.84 0.00 0.00 57.88 59.07 1i21 h LEU 17 Cb 0.34 0.75 -0.07 0.00 0.37 0.00 0.00 40.66 42.05 1i21 h LEU 17 CO 0.00 -0.18 0.17 1.05 -0.34 0.00 0.00 178.44 179.13 1i21 h GLU 18 N -0.01 0.32 -0.34 1.25 9.09 -1.95 0.13 114.58 123.06 1i21 h GLU 18 Ca 0.12 -0.02 -0.14 0.00 0.05 0.00 0.00 59.36 59.37 1i21 h GLU 18 Cb 0.33 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.34 1i21 h GLU 18 CO -0.73 0.21 -0.36 1.96 0.05 0.00 0.00 179.01 180.15 1i21 h GLN 19 N 0.33 0.78 -0.34 1.06 4.20 -1.74 -1.74 115.11 117.66 1i21 h GLN 19 Ca 0.28 -0.39 -0.12 0.00 0.06 0.00 0.00 58.65 58.49 1i21 h GLN 19 Cb 0.36 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1i21 h GLN 19 CO -0.32 1.01 -0.25 0.28 -0.67 0.00 0.00 178.83 178.88 1i21 h VAL 20 N 0.65 1.29 -0.62 -0.54 2.07 -0.58 -0.82 116.25 117.70 1i21 h VAL 20 Ca 0.06 -1.40 -0.08 0.00 0.82 0.00 0.00 66.70 66.10 1i21 h VAL 20 Cb 0.90 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1i21 h VAL 20 CO 0.08 0.46 0.09 0.71 0.02 0.00 0.00 177.57 178.93 1i21 h THR 21 N 0.55 1.26 -0.30 2.57 1.35 -0.72 0.18 112.91 117.79 1i21 h THR 21 Ca 0.06 -1.02 -0.03 0.00 -0.55 0.00 0.00 66.41 64.88 1i21 h THR 21 Cb 0.82 0.68 -0.02 0.00 -1.73 0.00 0.00 68.15 67.91 1i21 h THR 21 CO 0.07 0.38 0.07 -0.08 -0.25 0.00 0.00 175.52 175.71 1i21 h GLU 22 N 0.96 0.44 0.09 4.72 4.81 -1.11 -0.70 114.58 123.79 1i21 h GLU 22 Ca 0.19 -0.06 -0.29 0.00 -0.13 0.00 0.00 59.36 59.07 1i21 h GLU 22 Cb 0.43 -0.08 0.03 0.00 0.63 0.00 0.00 28.75 29.76 1i21 h GLU 22 CO 0.01 0.41 -1.18 1.15 -0.73 0.00 0.00 179.01 178.68 1i21 h THR 23 N 0.43 1.29 0.00 0.32 2.02 -0.04 -3.27 112.91 113.67 1i21 h THR 23 Ca 0.10 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.88 1i21 h THR 23 Cb 0.18 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 1i21 h THR 23 CO -0.00 0.73 0.00 0.18 0.37 0.00 0.00 175.52 176.80 1i21 n LEU 24 N -3.83 0.41 0.00 2.58 4.77 0.52 -2.83 117.00 118.62 1i21 n LEU 24 Ca -0.13 0.58 0.10 0.00 -0.03 0.00 0.00 56.01 56.52 1i21 n LEU 24 Cb 0.95 -0.49 0.49 0.00 -2.33 0.00 0.00 43.42 42.04 1i21 n LEU 24 CO 0.57 -0.31 0.82 0.29 -1.33 0.00 0.00 177.39 177.43 1i21 n LYS 25 N -1.93 0.20 0.17 3.23 5.02 -0.30 -0.87 118.16 123.69 1i21 n LYS 25 Ca 0.04 0.11 0.04 0.00 -2.02 0.00 0.00 58.31 56.48 1i21 n LYS 25 Cb 0.27 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 34.04 1i21 n LYS 25 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1i21 h VAL 26 N 0.00 1.01 0.01 -0.18 2.07 -1.73 -3.29 116.25 114.13 1i21 h VAL 26 Ca 0.00 -1.77 -0.22 0.00 0.82 0.00 0.00 66.70 65.53 1i21 h VAL 26 Cb 0.24 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 1i21 h VAL 26 CO 0.00 0.44 -1.21 0.25 0.02 0.00 0.00 177.57 177.07 1i21 h LEU 27 N 0.00 0.02 0.00 2.57 5.85 -1.21 -3.51 115.31 119.03 1i21 h LEU 27 Ca -0.00 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.15 1i21 h LEU 27 Cb 1.02 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1i21 h LEU 27 CO 0.06 1.48 0.00 1.07 -0.34 0.00 0.00 178.44 180.71 1i21 n THR 28 N -4.40 0.00 -0.98 1.05 5.66 -0.53 -5.16 114.28 109.91 1i21 n THR 28 Ca -0.31 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.68 1i21 n THR 28 Cb 0.69 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.47 1i21 n THR 28 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1i21 n THR 29 N 0.00 0.00 -1.87 1.09 -1.04 -1.26 -3.91 114.28 107.29 1i21 n THR 29 Ca 0.00 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.56 1i21 n THR 29 Cb 0.00 -1.90 -0.02 0.00 -1.82 0.00 0.00 70.33 66.59 1i21 n THR 29 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1i21 s THR 34 N -1.09 2.38 0.23 12.58 -1.32 -1.26 -4.91 115.64 122.24 1i21 s THR 34 Ca 0.02 0.29 -0.13 0.00 -1.21 0.00 0.00 61.69 60.67 1i21 s THR 34 Cb -0.00 -3.19 0.29 0.00 -1.51 0.00 0.00 72.50 68.09 1i21 s THR 34 CO 0.02 0.03 1.60 -0.65 -2.21 0.00 0.00 174.62 173.42 1i21 h PRO 35 N 5.95 -0.01 -0.50 7.08 0.11 -2.02 -0.51 132.00 142.09 1i21 h PRO 35 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1i21 h PRO 35 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1i21 h PRO 35 CO 0.86 -0.01 0.32 0.93 -0.21 0.00 0.00 178.00 179.90 1i21 h GLU 36 N -0.01 0.66 -0.58 1.05 3.07 -2.02 -0.71 114.58 116.03 1i21 h GLU 36 Ca 0.35 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.11 1i21 h GLU 36 Cb 0.54 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 1i21 h GLU 36 CO -0.76 0.44 0.15 0.77 -1.40 0.00 0.00 179.01 178.21 1i21 h SER 37 N 0.67 0.88 -0.71 1.42 0.02 -1.67 -0.75 113.55 113.42 1i21 h SER 37 Ca 0.18 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 1i21 h SER 37 Cb -0.07 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.21 1i21 h SER 37 CO -0.04 0.88 0.30 0.15 -1.14 0.00 0.00 176.83 176.99 1i21 h PHE 38 N 0.84 1.06 -0.23 3.45 3.57 -0.82 0.40 116.94 125.21 1i21 h PHE 38 Ca 0.18 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1i21 h PHE 38 Cb 0.34 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1i21 h PHE 38 CO 0.02 0.81 0.12 0.00 -2.23 0.00 0.00 178.31 177.03 1i21 h LYS 40 N 0.26 0.87 -0.41 0.00 1.57 -0.56 -1.64 116.57 116.67 1i21 h LYS 40 Ca 0.09 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 1i21 h LYS 40 Cb 0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1i21 h LYS 40 CO -0.05 0.82 -0.01 1.25 -0.57 0.00 0.00 179.45 180.89 1i21 h LEU 41 N 0.83 0.71 -1.14 2.94 5.85 0.40 -2.38 115.31 122.53 1i21 h LEU 41 Ca 0.17 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1i21 h LEU 41 Cb 0.39 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1i21 h LEU 41 CO 0.01 0.85 0.47 0.40 -0.34 0.00 0.00 178.44 179.83 1i21 h ILE 42 N 0.55 1.22 0.13 4.05 1.08 -0.18 -1.86 117.51 122.50 1i21 h ILE 42 Ca 0.11 -0.48 -0.01 0.00 -0.39 0.00 0.00 64.86 64.09 1i21 h ILE 42 Cb 0.49 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.36 1i21 h ILE 42 CO 0.02 0.23 -0.06 0.11 -0.69 0.00 0.00 178.15 177.76 1i21 h LYS 43 N 1.08 -0.17 -0.10 2.37 1.57 -1.12 -2.42 116.57 117.78 1i21 h LYS 43 Ca 0.28 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.12 1i21 h LYS 43 Cb -0.04 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 1i21 h LYS 43 CO -0.05 -0.09 -0.29 -0.92 -0.57 0.00 0.00 179.45 177.53 1i21 h TYR 44 N -0.20 -0.79 0.00 -1.35 3.20 -1.11 -0.24 116.97 116.49 1i21 h TYR 44 Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1i21 h TYR 44 Cb 0.16 0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.79 1i21 h TYR 44 CO -0.06 -0.37 0.00 0.91 -1.64 0.00 0.00 178.16 177.00 1i21 n TRP 45 N -5.39 0.63 0.46 -3.82 8.01 -0.73 -1.19 117.44 115.41 1i21 n TRP 45 Ca -0.03 0.31 0.08 0.00 -1.31 0.00 0.00 57.50 56.55 1i21 n TRP 45 Cb 0.31 -1.00 0.11 0.00 -2.01 0.00 0.00 31.31 28.72 1i21 n TRP 45 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1i21 n ASN 46 N -2.13 2.67 -0.05 -0.99 3.02 -0.19 -4.55 115.26 113.03 1i21 n ASN 46 Ca -0.01 -1.78 -0.11 0.00 -0.03 0.00 0.00 54.58 52.65 1i21 n ASN 46 Cb 0.06 -0.09 -0.04 0.00 -0.61 0.00 0.00 39.78 39.10 1i21 n ASN 46 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1i21 n GLU 47 N 0.98 0.23 -1.55 3.52 2.13 -0.33 -5.00 120.64 120.61 1i21 n GLU 47 Ca 0.12 0.10 -0.48 0.00 0.66 0.00 0.00 57.16 57.56 1i21 n GLU 47 Cb 0.45 -0.89 -0.05 0.00 0.27 0.00 0.00 31.44 31.22 1i21 n GLU 47 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1i21 n ALA 48 N -3.52 1.17 -2.66 4.31 0.00 -0.46 -4.97 120.51 114.38 1i21 n ALA 48 Ca -0.20 -0.01 -0.29 0.00 0.00 0.00 0.00 53.44 52.94 1i21 n ALA 48 Cb 0.62 -2.62 -0.08 0.00 0.00 0.00 0.00 19.45 17.37 1i21 n ALA 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1i21 s THR 49 N 6.64 3.82 -0.11 0.00 2.01 -1.26 -2.05 115.64 124.68 1i21 s THR 49 Ca 1.03 -1.17 -0.15 0.00 0.31 0.00 0.00 61.69 61.70 1i21 s THR 49 Cb -0.69 -2.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 1i21 s THR 49 CO 0.47 0.04 0.37 -0.69 -0.69 0.00 0.00 174.62 174.12 1i21 s VAL 50 N -1.43 5.22 0.69 3.82 1.01 -0.53 -4.77 120.40 124.42 1i21 s VAL 50 Ca 0.26 0.73 -0.16 0.00 0.00 0.00 0.00 61.98 62.80 1i21 s VAL 50 Cb -0.11 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 1i21 s VAL 50 CO 0.18 0.41 1.03 1.87 0.00 0.00 0.00 175.10 178.59 1i21 n TRP 51 N 3.21 0.92 0.00 5.22 -0.00 -1.26 -4.61 117.44 120.93 1i21 n TRP 51 Ca -0.11 0.41 0.00 0.00 -0.00 0.00 0.00 57.50 57.80 1i21 n TRP 51 Cb 0.52 -2.12 0.00 0.00 -0.00 0.00 0.00 31.31 29.71 1i21 n TRP 51 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1i21 n ASN 52 N -1.65 0.00 -4.54 5.87 6.94 -1.26 -5.04 115.26 115.57 1i21 n ASN 52 Ca 0.14 0.00 -0.22 0.00 -0.02 0.00 0.00 54.58 54.47 1i21 n ASN 52 Cb 0.49 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.82 1i21 n ASN 52 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1i21 n ASP 53 N 0.00 1.37 0.00 0.53 10.43 -1.26 -5.13 116.55 122.50 1i21 n ASP 53 Ca 0.00 -0.99 0.00 0.00 2.57 0.00 0.00 54.79 56.37 1i21 n ASP 53 Cb 0.00 -1.43 0.00 0.00 1.84 0.00 0.00 41.12 41.53 1i21 n ASP 53 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1i21 n ASN 54 N 15.60 0.00 -3.85 -2.24 3.02 -1.26 -5.28 115.26 121.25 1i21 n ASN 54 Ca 0.49 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.92 1i21 n ASN 54 Cb 0.39 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.46 1i21 n ASN 54 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1i21 s LYS 58 N 2.74 0.49 0.00 3.52 2.47 -1.26 -5.21 119.74 122.49 1i21 s LYS 58 Ca 0.00 -0.33 0.00 0.00 -1.56 0.00 0.00 55.97 54.08 1i21 s LYS 58 Cb 0.00 0.21 0.00 0.00 -1.46 0.00 0.00 37.83 36.58 1i21 s LYS 58 CO 0.00 -0.12 0.00 -0.89 0.16 0.00 0.00 175.35 174.50 1i21 n ILE 59 N 1.52 0.00 0.03 5.43 5.41 -1.26 -5.09 119.36 125.40 1i21 n ILE 59 Ca -0.22 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.53 1i21 n ILE 59 Cb 0.56 -0.08 0.00 0.00 -0.71 0.00 0.00 39.64 39.41 1i21 n ILE 59 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1i21 n GLN 61 N -0.00 0.00 -3.82 0.38 7.27 -0.87 -1.45 117.38 118.89 1i21 n GLN 61 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.72 1i21 n GLN 61 Cb 0.00 -0.47 -0.05 0.00 2.41 0.00 0.00 30.24 32.13 1i21 n GLN 61 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1i21 s TYR 62 N -2.00 3.58 -0.39 3.69 1.51 -1.26 -0.26 117.35 122.21 1i21 s TYR 62 Ca 0.00 0.51 0.09 0.00 -1.01 0.00 0.00 57.07 56.65 1i21 s TYR 62 Cb 0.00 -1.94 0.26 0.00 -0.11 0.00 0.00 41.96 40.18 1i21 s TYR 62 CO 0.00 0.64 0.55 0.09 -1.11 0.00 0.00 175.55 175.73 1i21 n ASN 63 N 1.21 0.32 -4.80 2.29 4.13 -1.12 -4.91 115.26 112.39 1i21 n ASN 63 Ca -0.12 -2.75 -0.32 0.00 1.68 0.00 0.00 54.58 53.07 1i21 n ASN 63 Cb 0.53 -0.64 0.05 0.00 -1.54 0.00 0.00 39.78 38.19 1i21 n ASN 63 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1i21 s PRO 64 N -1.38 2.80 -0.29 3.52 0.04 -1.26 -2.64 135.00 135.78 1i21 s PRO 64 Ca 0.36 1.12 -0.20 0.00 0.04 0.00 0.00 61.00 62.31 1i21 s PRO 64 Cb 0.20 -1.97 0.15 0.00 0.04 0.00 0.00 34.50 32.92 1i21 s PRO 64 CO -0.10 -1.21 1.11 0.14 0.04 0.00 0.00 177.00 176.97 1i21 s VAL 66 N -2.80 0.00 -0.13 -0.36 -7.23 -0.32 -4.47 120.40 105.09 1i21 s VAL 66 Ca 0.61 0.00 -0.18 0.00 -1.81 0.00 0.00 61.98 60.60 1i21 s VAL 66 Cb -0.16 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.74 1i21 s VAL 66 CO 0.50 0.00 0.47 -0.63 -0.31 0.00 0.00 175.10 175.14 1i21 s ILE 67 N 0.73 5.19 -0.04 -0.62 1.01 0.10 -2.34 121.20 125.22 1i21 s ILE 67 Ca -0.02 0.94 0.06 0.00 0.00 0.00 0.00 60.65 61.63 1i21 s ILE 67 Cb -0.04 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 1i21 s ILE 67 CO -0.12 0.31 -0.24 -0.69 0.00 0.00 0.00 174.94 174.21 1i21 s VAL 68 N 0.72 1.92 -0.32 2.92 1.01 0.20 -0.36 120.40 126.48 1i21 s VAL 68 Ca 0.25 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 1i21 s VAL 68 Cb -0.15 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1i21 s VAL 68 CO 0.10 0.54 1.29 -0.62 0.00 0.00 0.00 175.10 176.41 1i21 s ASP 69 N -0.25 6.65 0.39 3.32 -1.08 -0.93 -0.22 116.67 124.56 1i21 s ASP 69 Ca -0.00 1.12 0.18 0.00 -0.52 0.00 0.00 52.55 53.33 1i21 s ASP 69 Cb -0.12 -2.54 1.08 0.00 -1.46 0.00 0.00 42.92 39.88 1i21 s ASP 69 CO 0.02 -1.11 1.77 0.11 0.52 0.00 0.00 175.17 176.48 1i21 h LYS 70 N 9.36 0.40 0.00 4.34 1.57 -1.39 -1.92 116.57 128.93 1i21 h LYS 70 Ca -0.26 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1i21 h LYS 70 Cb 1.09 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.31 1i21 h LYS 70 CO 1.04 0.27 -0.02 0.00 -0.57 0.00 0.00 179.45 180.17 1i21 h ARG 71 N 0.41 0.00 0.00 3.15 3.08 -1.91 -3.33 114.38 115.78 1i21 h ARG 71 Ca 0.60 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.61 1i21 h ARG 71 Cb 1.47 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.45 1i21 h ARG 71 CO -0.31 0.02 -0.45 0.25 -1.07 0.00 0.00 179.97 178.41 1i21 n THR 72 N -4.29 0.00 -4.23 2.04 -2.24 -0.82 -5.03 114.28 99.71 1i21 n THR 72 Ca -0.03 -0.16 -0.34 0.00 -2.27 0.00 0.00 64.05 61.25 1i21 n THR 72 Cb 0.10 0.46 -0.07 0.00 -2.10 0.00 0.00 70.33 68.72 1i21 n THR 72 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i21 n GLU 73 N 0.08 -0.77 -4.90 -0.78 -0.58 -0.79 -4.94 120.64 107.97 1i21 n GLU 73 Ca -0.01 0.08 -0.31 0.00 -0.42 0.00 0.00 57.16 56.50 1i21 n GLU 73 Cb 0.72 -3.23 -0.17 0.00 -0.57 0.00 0.00 31.44 28.20 1i21 n GLU 73 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1i21 s THR 74 N -4.17 1.87 -0.11 2.62 2.01 -1.25 -4.96 115.64 111.65 1i21 s THR 74 Ca 0.11 -0.89 -0.29 0.00 0.31 0.00 0.00 61.69 60.93 1i21 s THR 74 Cb -0.06 -1.64 -0.07 0.00 0.01 0.00 0.00 72.50 70.74 1i21 s THR 74 CO 0.97 0.52 2.09 -0.69 -0.69 0.00 0.00 174.62 176.82 1i21 s VAL 75 N 0.59 3.04 -0.13 3.82 1.01 -1.26 -2.18 120.40 125.28 1i21 s VAL 75 Ca -0.14 0.04 0.19 0.00 0.00 0.00 0.00 61.98 62.07 1i21 s VAL 75 Cb -0.17 -3.04 -0.21 0.00 0.00 0.00 0.00 36.38 32.97 1i21 s VAL 75 CO 0.04 -0.02 0.55 0.00 0.00 0.00 0.00 175.10 175.68 1i21 n ALA 76 N 9.79 2.09 -3.48 5.51 0.00 0.51 -4.82 120.51 130.11 1i21 n ALA 76 Ca 0.25 -0.72 -0.15 0.00 0.00 0.00 0.00 53.44 52.82 1i21 n ALA 76 Cb 0.43 -0.71 -0.04 0.00 0.00 0.00 0.00 19.45 19.13 1i21 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i21 s ALA 77 N -3.00 -1.71 -0.00 0.00 0.00 -1.17 -1.03 121.76 114.84 1i21 s ALA 77 Ca -0.06 1.01 -0.05 0.00 0.00 0.00 0.00 51.96 52.85 1i21 s ALA 77 Cb 0.09 0.33 -0.00 0.00 0.00 0.00 0.00 23.12 23.54 1i21 s ALA 77 CO 0.84 -0.53 0.11 -0.08 0.00 0.00 0.00 175.76 176.10 1i21 s THR 78 N -2.21 0.07 -0.19 0.00 -1.32 -0.30 0.00 115.64 111.70 1i21 s THR 78 Ca -0.06 -0.59 -0.28 0.00 -1.21 0.00 0.00 61.69 59.55 1i21 s THR 78 Cb -0.00 -0.35 0.11 0.00 -1.51 0.00 0.00 72.50 70.74 1i21 s THR 78 CO 0.00 -0.32 0.92 -0.83 -2.21 0.00 0.00 174.62 172.18 1i21 s GLY 79 N -1.10 -0.32 0.03 6.08 0.00 -1.26 -1.10 107.32 109.66 1i21 s GLY 79 Ca -0.12 2.09 0.07 0.00 0.00 0.00 0.00 44.72 46.76 1i21 s GLY 79 CO 0.01 1.34 -0.21 0.21 0.00 0.00 0.00 173.10 174.45 1i21 s ASN 80 N -0.56 2.45 -0.22 1.64 2.47 -0.54 -4.51 114.94 115.67 1i21 s ASN 80 Ca -0.02 -0.49 -0.00 0.00 0.42 0.00 0.00 52.86 52.77 1i21 s ASN 80 Cb -0.02 -0.22 0.06 0.00 -1.45 0.00 0.00 41.25 39.62 1i21 s ASN 80 CO 0.01 0.18 -0.03 -0.51 -3.72 0.00 0.00 177.10 173.03 1i21 s ILE 81 N -0.74 1.21 -0.03 -5.21 2.07 -1.08 -0.29 121.20 117.13 1i21 s ILE 81 Ca 0.07 -1.01 -0.23 0.00 -1.41 0.00 0.00 60.65 58.07 1i21 s ILE 81 Cb -0.09 -1.55 -0.04 0.00 0.13 0.00 0.00 42.46 40.91 1i21 s ILE 81 CO 0.01 -0.13 0.70 -0.63 -1.91 0.00 0.00 174.94 172.99 1i21 s ILE 82 N 1.54 4.95 -0.19 2.00 1.01 0.35 -2.77 121.20 128.09 1i21 s ILE 82 Ca -0.04 1.47 -0.09 0.00 0.00 0.00 0.00 60.65 61.98 1i21 s ILE 82 Cb -0.18 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 1i21 s ILE 82 CO -0.07 0.30 0.12 -0.63 0.00 0.00 0.00 174.94 174.67 1i21 s ILE 83 N 0.45 5.33 0.04 2.92 1.09 0.63 0.28 121.20 131.95 1i21 s ILE 83 Ca 0.37 0.16 0.04 0.00 -1.10 0.00 0.00 60.65 60.12 1i21 s ILE 83 Cb -0.18 -3.41 -0.02 0.00 -1.06 0.00 0.00 42.46 37.78 1i21 s ILE 83 CO 0.19 0.47 -0.11 -1.83 -0.10 0.00 0.00 174.94 173.56 1i21 s GLU 84 N 0.16 0.73 -0.21 2.79 -1.05 -0.32 -4.76 118.70 116.04 1i21 s GLU 84 Ca 0.08 -0.71 -0.10 0.00 -0.15 0.00 0.00 54.97 54.09 1i21 s GLU 84 Cb -0.11 -0.67 -0.05 0.00 -0.44 0.00 0.00 34.13 32.86 1i21 s GLU 84 CO -0.01 0.16 0.15 1.03 0.95 0.00 0.00 175.26 177.54 1i21 s ARG 85 N -1.22 4.15 0.53 -4.83 0.52 -1.26 -1.03 118.95 115.80 1i21 s ARG 85 Ca -0.02 -0.22 0.06 0.00 -0.52 0.00 0.00 55.73 55.03 1i21 s ARG 85 Cb -0.08 -3.47 0.03 0.00 0.52 0.00 0.00 34.95 31.96 1i21 s ARG 85 CO 0.01 0.20 0.44 0.15 0.02 0.00 0.00 175.30 176.12 1i21 s LYS 86 N 0.65 2.29 -0.19 3.54 1.02 0.08 -5.01 119.74 122.13 1i21 s LYS 86 Ca 0.08 -1.92 -0.13 0.00 0.02 0.00 0.00 55.97 54.03 1i21 s LYS 86 Cb -0.12 -2.19 -0.21 0.00 -0.52 0.00 0.00 37.83 34.79 1i21 s LYS 86 CO 0.01 -0.58 0.18 -0.89 -0.92 0.00 0.00 175.35 173.14 1i21 n ILE 87 N -1.78 1.63 -0.52 2.17 5.41 -1.26 -3.60 119.36 121.41 1i21 n ILE 87 Ca 0.01 -0.36 -0.29 0.00 1.00 0.00 0.00 62.75 63.11 1i21 n ILE 87 Cb 0.64 -1.85 0.24 0.00 -0.71 0.00 0.00 39.64 37.95 1i21 n ILE 87 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1i21 n ILE 88 N -3.94 0.00 -3.23 1.39 -5.35 -1.26 -0.39 119.36 106.57 1i21 n ILE 88 Ca -0.36 -0.44 -0.23 0.00 -0.27 0.00 0.00 62.75 61.46 1i21 n ILE 88 Cb 0.87 -0.87 0.02 0.00 -1.74 0.00 0.00 39.64 37.92 1i21 n ILE 88 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 1i21 n HIS 89 N -4.89 -1.94 -3.06 4.28 -0.00 -1.26 -1.40 115.22 106.95 1i21 n HIS 89 Ca 0.02 0.53 -0.13 0.00 0.46 0.00 0.00 57.72 58.60 1i21 n HIS 89 Cb 0.57 -3.80 0.07 0.00 -0.12 0.00 0.00 29.99 26.70 1i21 n HIS 89 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1i21 n GLU 90 N -3.96 -4.57 -3.64 1.57 1.02 -1.22 -2.29 120.64 107.55 1i21 n GLU 90 Ca -0.06 0.66 -0.22 0.00 -0.02 0.00 0.00 57.16 57.52 1i21 n GLU 90 Cb 0.58 -5.06 0.06 0.00 -0.02 0.00 0.00 31.44 27.00 1i21 n GLU 90 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1i21 n LEU 91 N -3.32 -3.33 -4.81 -4.62 4.77 0.47 -4.96 117.00 101.21 1i21 n LEU 91 Ca -0.20 -0.69 -0.31 0.00 -0.03 0.00 0.00 56.01 54.78 1i21 n LEU 91 Cb 0.62 -2.86 0.06 0.00 -2.33 0.00 0.00 43.42 38.91 1i21 n LEU 91 CO 0.47 0.47 0.71 -0.83 -1.33 0.00 0.00 177.39 176.88 1i21 s GLY 92 N -3.92 1.71 -0.17 -0.72 0.00 -0.49 -4.64 107.32 99.09 1i21 s GLY 92 Ca 0.26 0.15 -0.09 0.00 0.00 0.00 0.00 44.72 45.05 1i21 s GLY 92 CO 0.77 0.47 0.13 1.08 0.00 0.00 0.00 173.10 175.56 1i21 s LEU 93 N -5.54 4.26 -0.04 0.66 1.43 -1.26 -0.74 118.68 117.44 1i21 s LEU 93 Ca 0.59 0.31 0.07 0.00 -1.03 0.00 0.00 54.13 54.07 1i21 s LEU 93 Cb -0.15 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 1i21 s LEU 93 CO 0.54 0.27 -0.25 0.00 0.23 0.00 0.00 176.35 177.13 1i21 s GLY 95 N -0.34 2.06 -0.20 0.00 0.00 -0.81 -1.17 107.32 106.85 1i21 s GLY 95 Ca 0.02 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 43.96 1i21 s GLY 95 CO 0.02 -0.63 -0.13 0.30 0.00 0.00 0.00 173.10 172.66 1i21 s HIS 96 N -1.14 2.57 -0.34 1.90 3.76 0.14 -0.19 115.29 121.98 1i21 s HIS 96 Ca 0.21 -1.65 -0.20 0.00 -0.15 0.00 0.00 55.06 53.27 1i21 s HIS 96 Cb -0.12 -1.73 -0.00 0.00 1.11 0.00 0.00 32.58 31.84 1i21 s HIS 96 CO 0.11 -0.76 0.61 0.42 -0.85 0.00 0.00 174.74 174.27 1i21 s ILE 97 N 1.35 4.92 0.27 0.60 1.01 -0.20 -0.50 121.20 128.65 1i21 s ILE 97 Ca -0.00 0.59 0.10 0.00 0.00 0.00 0.00 60.65 61.34 1i21 s ILE 97 Cb -0.16 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 1i21 s ILE 97 CO -0.09 -0.26 -0.16 -1.61 0.00 0.00 0.00 174.94 172.82 1i21 s GLU 98 N 2.63 1.59 -1.35 2.79 0.41 0.60 -4.48 118.70 120.90 1i21 s GLU 98 Ca 0.23 -1.75 -0.01 0.00 -0.41 0.00 0.00 54.97 53.04 1i21 s GLU 98 Cb -0.15 -1.53 -0.00 0.00 -1.78 0.00 0.00 34.13 30.67 1i21 s GLU 98 CO 0.14 0.24 0.57 -0.25 -0.49 0.00 0.00 175.26 175.47 1i21 n ASP 99 N -0.58 -0.87 -4.66 -0.19 10.43 -1.26 -1.46 116.55 117.95 1i21 n ASP 99 Ca -0.06 -0.91 -0.43 0.00 2.57 0.00 0.00 54.79 55.97 1i21 n ASP 99 Cb 0.61 -3.60 -0.02 0.00 1.84 0.00 0.00 41.12 39.95 1i21 n ASP 99 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1i21 s ILE 100 N -3.80 4.73 -0.14 0.53 -1.09 -1.26 -4.02 121.20 116.15 1i21 s ILE 100 Ca 0.01 1.95 -0.10 0.00 -2.23 0.00 0.00 60.65 60.29 1i21 s ILE 100 Cb -0.00 -4.28 0.04 0.00 -1.58 0.00 0.00 42.46 36.64 1i21 s ILE 100 CO 0.85 -0.13 0.35 0.00 -1.23 0.00 0.00 174.94 174.78 1i21 s ALA 101 N 2.91 -0.86 -0.18 9.38 0.00 -0.26 -4.92 121.76 127.83 1i21 s ALA 101 Ca 0.43 1.17 -0.04 0.00 0.00 0.00 0.00 51.96 53.52 1i21 s ALA 101 Cb -0.16 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 1i21 s ALA 101 CO 0.08 -0.21 -0.02 0.08 0.00 0.00 0.00 175.76 175.70 1i21 s VAL 102 N 0.81 3.84 0.24 0.00 1.01 -1.26 -1.15 120.40 123.89 1i21 s VAL 102 Ca -0.05 -0.36 -0.31 0.00 0.00 0.00 0.00 61.98 61.26 1i21 s VAL 102 Cb -0.06 -2.71 -0.13 0.00 0.00 0.00 0.00 36.38 33.48 1i21 s VAL 102 CO -0.06 0.46 1.51 -3.20 0.00 0.00 0.00 175.10 173.81 1i21 n ASN 103 N 3.98 3.22 -0.28 3.32 5.15 -0.19 -4.81 115.26 125.65 1i21 n ASN 103 Ca -0.17 1.13 0.09 0.00 -0.60 0.00 0.00 54.58 55.03 1i21 n ASN 103 Cb 0.52 -1.49 0.22 0.00 -0.53 0.00 0.00 39.78 38.51 1i21 n ASN 103 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1i21 h SER 104 N 4.83 -0.17 0.22 1.20 0.02 -1.89 0.54 113.55 118.29 1i21 h SER 104 Ca -0.45 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1i21 h SER 104 Cb 1.25 0.31 0.00 0.00 0.14 0.00 0.00 62.40 64.10 1i21 h SER 104 CO 0.80 -0.17 0.00 0.29 -1.14 0.00 0.00 176.83 176.62 1i21 n LYS 105 N -5.28 0.02 0.00 3.45 5.02 -1.26 -3.11 118.16 116.99 1i21 n LYS 105 Ca 0.18 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 1i21 n LYS 105 Cb 0.58 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 1i21 n LYS 105 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1i21 n TYR 106 N -1.46 0.00 -1.22 2.13 4.02 0.19 -5.08 117.16 115.73 1i21 n TYR 106 Ca 0.02 -0.25 -0.33 0.00 -0.01 0.00 0.00 57.90 57.33 1i21 n TYR 106 Cb 0.08 -0.03 0.11 0.00 -0.02 0.00 0.00 39.34 39.48 1i21 n TYR 106 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1i21 s GLN 107 N -0.51 1.85 0.00 -0.72 -0.21 -1.07 -3.11 119.66 115.89 1i21 s GLN 107 Ca 0.00 1.66 0.00 0.00 0.02 0.00 0.00 55.36 57.04 1i21 s GLN 107 Cb 0.00 -1.81 0.00 0.00 1.00 0.00 0.00 33.01 32.20 1i21 s GLN 107 CO 0.00 -2.04 0.00 0.41 -2.12 0.00 0.00 175.29 171.54 1i21 n GLY 108 N 0.22 2.51 0.58 3.09 0.00 -1.26 -4.87 105.19 105.46 1i21 n GLY 108 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.24 1i21 n GLY 108 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i21 n GLN 109 N -2.00 1.75 -1.00 1.61 6.02 -1.18 -4.93 117.38 117.65 1i21 n GLN 109 Ca 0.00 -1.13 0.00 0.00 -0.01 0.00 0.00 57.00 55.86 1i21 n GLN 109 Cb 0.00 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 29.89 1i21 n GLN 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i21 n GLY 110 N 1.11 0.53 0.30 1.08 0.00 -1.26 -4.92 105.19 102.03 1i21 n GLY 110 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 1i21 n GLY 110 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1i21 h LEU 111 N 0.00 1.04 -0.67 0.99 3.38 -1.91 -2.88 115.31 115.25 1i21 h LEU 111 Ca 0.00 -0.33 0.14 0.00 0.09 0.00 0.00 57.88 57.78 1i21 h LEU 111 Cb 0.01 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 40.37 1i21 h LEU 111 CO 0.00 1.13 0.10 1.23 0.09 0.00 0.00 178.44 180.99 1i21 h GLY 112 N 0.96 0.84 0.99 0.83 0.00 -1.94 -0.01 103.07 104.73 1i21 h GLY 112 Ca 0.15 0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.42 1i21 h GLY 112 CO 0.04 -0.19 0.01 1.70 0.00 0.00 0.00 176.54 178.10 1i21 h LYS 113 N 0.21 0.83 -0.12 4.80 3.11 -1.96 -1.40 116.57 122.04 1i21 h LYS 113 Ca 0.36 -0.26 -0.14 0.00 -2.81 0.00 0.00 60.65 57.80 1i21 h LYS 113 Cb 0.60 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.74 1i21 h LYS 113 CO -0.50 0.88 -0.54 -0.07 -2.81 0.00 0.00 179.45 176.40 1i21 h LEU 114 N 0.69 0.40 -0.13 5.20 3.38 -1.21 -1.38 115.31 122.24 1i21 h LEU 114 Ca 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1i21 h LEU 114 Cb 0.50 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1i21 h LEU 114 CO 0.02 0.86 0.06 0.25 0.09 0.00 0.00 178.44 179.72 1i21 h LEU 115 N 0.28 0.18 -0.80 1.67 5.85 -0.82 0.56 115.31 122.22 1i21 h LEU 115 Ca 0.01 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1i21 h LEU 115 Cb 1.04 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1i21 h LEU 115 CO 0.09 0.28 0.49 0.40 -0.34 0.00 0.00 178.44 179.36 1i21 h ILE 116 N 0.07 1.22 -0.82 4.05 5.03 -1.17 0.51 117.51 126.42 1i21 h ILE 116 Ca 0.05 -0.48 -0.01 0.00 -0.12 0.00 0.00 64.86 64.30 1i21 h ILE 116 Cb 0.15 0.09 -0.04 0.00 -3.03 0.00 0.00 36.82 33.99 1i21 h ILE 116 CO -0.00 0.23 0.46 0.44 -0.68 0.00 0.00 178.15 178.60 1i21 h ASP 117 N 1.10 1.00 0.00 1.72 3.32 -0.85 -0.23 116.42 122.48 1i21 h ASP 117 Ca 0.29 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 1i21 h ASP 117 Cb -0.05 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.24 1i21 h ASP 117 CO -0.06 0.79 -0.00 1.56 -1.72 0.00 0.00 179.24 179.81 1i21 h GLN 118 N 1.13 -0.00 -1.00 3.56 1.08 0.15 -2.14 115.11 117.89 1i21 h GLN 118 Ca 0.29 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.51 1i21 h GLN 118 Cb -0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.37 1i21 h GLN 118 CO -0.05 0.26 0.66 -0.07 -0.95 0.00 0.00 178.83 178.68 1i21 h LEU 119 N -0.27 1.12 -0.22 1.46 3.38 -0.67 -1.70 115.31 118.41 1i21 h LEU 119 Ca -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1i21 h LEU 119 Cb 0.27 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1i21 h LEU 119 CO 0.00 0.79 0.11 0.58 0.09 0.00 0.00 178.44 180.01 1i21 h VAL 120 N 1.31 1.13 -0.52 1.22 2.07 -0.96 -0.43 116.25 120.07 1i21 h VAL 120 Ca 0.38 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1i21 h VAL 120 Cb -0.09 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1i21 h VAL 120 CO -0.10 0.12 0.31 0.74 0.02 0.00 0.00 177.57 178.67 1i21 h THR 121 N 0.23 1.15 -0.12 2.57 2.02 -1.01 -0.34 112.91 117.40 1i21 h THR 121 Ca 0.08 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1i21 h THR 121 Cb 0.10 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1i21 h THR 121 CO -0.01 0.16 -0.04 0.40 0.37 0.00 0.00 175.52 176.40 1i21 h ILE 122 N 0.72 1.30 0.07 3.11 2.04 -0.95 -0.65 117.51 123.15 1i21 h ILE 122 Ca 0.19 -1.00 0.03 0.00 1.00 0.00 0.00 64.86 65.08 1i21 h ILE 122 Cb -0.02 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 1i21 h ILE 122 CO -0.04 0.29 -0.33 1.23 0.00 0.00 0.00 178.15 179.30 1i21 h GLY 123 N -0.08 -0.60 2.00 5.37 0.00 -0.12 -2.05 103.07 107.59 1i21 h GLY 123 Ca 0.03 0.39 -0.07 0.00 0.00 0.00 0.00 47.33 47.68 1i21 h GLY 123 CO 0.01 -0.24 -0.33 0.74 0.00 0.00 0.00 176.54 176.72 1i21 h PHE 124 N -0.52 0.00 0.00 5.60 0.04 -1.13 -2.26 116.94 118.67 1i21 h PHE 124 Ca 0.04 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.75 1i21 h PHE 124 Cb 0.58 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 1i21 h PHE 124 CO -0.32 0.33 -0.31 -0.44 -0.60 0.00 0.00 178.31 176.97 1i21 h ASP 125 N 0.00 0.00 1.00 2.17 3.32 -0.84 -1.11 116.42 120.96 1i21 h ASP 125 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 1i21 h ASP 125 Cb 0.58 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1i21 h ASP 125 CO 0.04 0.31 -0.25 1.88 -1.72 0.00 0.00 179.24 179.50 1i21 h TYR 126 N 0.00 0.00 0.00 4.55 0.05 -0.80 -3.47 116.97 117.30 1i21 h TYR 126 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1i21 h TYR 126 Cb 0.78 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.52 1i21 h TYR 126 CO 0.00 0.25 0.00 0.41 -1.05 0.00 0.00 178.16 177.77 1i21 n GLY 127 N 0.27 1.07 3.53 3.88 0.00 -0.42 -5.06 105.19 108.46 1i21 n GLY 127 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1i21 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i21 n TYR 129 N -0.78 0.40 -3.67 0.00 0.18 -0.60 -4.71 117.16 107.98 1i21 n TYR 129 Ca 0.11 0.12 -0.08 0.00 1.88 0.00 0.00 57.90 59.92 1i21 n TYR 129 Cb 0.40 -0.58 -0.02 0.00 -0.38 0.00 0.00 39.34 38.76 1i21 n TYR 129 CO 0.00 0.00 0.00 -1.59 -2.08 0.00 0.00 176.86 173.19 1i21 s LYS 130 N -3.29 1.43 -0.03 -3.48 -2.85 -1.26 -5.11 119.74 105.14 1i21 s LYS 130 Ca 0.01 -0.70 -0.02 0.00 -1.00 0.00 0.00 55.97 54.25 1i21 s LYS 130 Cb 0.13 0.54 0.01 0.00 -2.06 0.00 0.00 37.83 36.46 1i21 s LYS 130 CO 0.82 -0.65 0.07 0.42 0.10 0.00 0.00 175.35 176.11 1i21 s ILE 131 N -3.67 -0.01 0.22 3.79 1.01 -1.26 -1.93 121.20 119.34 1i21 s ILE 131 Ca 0.08 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.78 1i21 s ILE 131 Cb -0.03 -0.11 -0.05 0.00 0.01 0.00 0.00 42.46 42.27 1i21 s ILE 131 CO -0.01 0.01 0.02 0.27 0.00 0.00 0.00 174.94 175.23 1i21 s ILE 132 N 0.22 0.82 -0.02 2.92 -4.36 0.73 -4.93 121.20 116.59 1i21 s ILE 132 Ca -0.02 -2.01 -0.28 0.00 -0.26 0.00 0.00 60.65 58.08 1i21 s ILE 132 Cb -0.02 -2.34 0.10 0.00 1.25 0.00 0.00 42.46 41.44 1i21 s ILE 132 CO -0.01 -0.30 0.84 -1.48 0.24 0.00 0.00 174.94 174.23 1i21 s LEU 133 N -3.27 -0.44 0.01 0.37 0.05 -1.26 -1.03 118.68 113.11 1i21 s LEU 133 Ca 0.29 0.19 0.02 0.00 0.05 0.00 0.00 54.13 54.69 1i21 s LEU 133 Cb 0.06 2.16 -0.04 0.00 -2.05 0.00 0.00 46.19 46.32 1i21 s LEU 133 CO 0.08 -0.61 -0.01 -1.81 -0.55 0.00 0.00 176.35 173.45 1i21 s ASP 134 N -2.03 5.06 0.15 1.48 1.01 -1.26 -5.03 116.67 116.04 1i21 s ASP 134 Ca 0.01 -0.05 -0.11 0.00 0.71 0.00 0.00 52.55 53.10 1i21 s ASP 134 Cb -0.01 -1.29 0.01 0.00 1.01 0.00 0.00 42.92 42.64 1i21 s ASP 134 CO -0.05 0.26 0.33 0.00 0.21 0.00 0.00 175.17 175.93 1i21 s ASP 136 N -2.91 5.77 0.50 0.00 1.47 -1.26 -4.93 116.67 115.31 1i21 s ASP 136 Ca 0.12 0.69 0.32 0.00 1.18 0.00 0.00 52.55 54.86 1i21 s ASP 136 Cb 0.03 -1.79 1.44 0.00 -0.34 0.00 0.00 42.92 42.25 1i21 s ASP 136 CO -0.04 -0.91 1.77 -0.33 0.68 0.00 0.00 175.17 176.35 1i21 h GLU 137 N -0.01 0.10 -0.06 2.11 4.39 -2.02 -0.58 114.58 118.52 1i21 h GLU 137 Ca -0.46 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.16 1i21 h GLU 137 Cb 1.24 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 1i21 h GLU 137 CO 0.60 0.07 -0.32 0.87 -1.16 0.00 0.00 179.01 179.07 1i21 h LYS 138 N 0.11 0.10 -0.28 2.33 1.57 -2.06 -3.11 116.57 115.23 1i21 h LYS 138 Ca 0.60 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.35 1i21 h LYS 138 Cb 2.16 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.46 1i21 h LYS 138 CO -0.11 0.42 0.00 0.09 -0.57 0.00 0.00 179.45 179.28 1i21 n ASN 139 N -4.13 2.45 0.23 0.86 3.02 -0.23 -4.55 115.26 112.92 1i21 n ASN 139 Ca -0.02 -1.85 -0.15 0.00 -0.03 0.00 0.00 54.58 52.53 1i21 n ASN 139 Cb 0.39 -0.18 -0.08 0.00 -0.61 0.00 0.00 39.78 39.30 1i21 n ASN 139 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1i21 h VAL 140 N 3.17 0.62 -0.55 2.41 2.07 -1.57 -0.79 116.25 121.60 1i21 h VAL 140 Ca 0.00 -0.03 0.11 0.00 0.82 0.00 0.00 66.70 67.60 1i21 h VAL 140 Cb 0.70 0.63 -0.08 0.00 -1.52 0.00 0.00 31.29 31.02 1i21 h VAL 140 CO 0.00 0.01 0.06 0.11 0.02 0.00 0.00 177.57 177.76 1i21 h LYS 141 N -0.54 0.17 -0.37 1.57 1.79 -1.84 0.07 116.57 117.42 1i21 h LYS 141 Ca -0.05 -0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.48 1i21 h LYS 141 Cb 0.41 -0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 30.95 1i21 h LYS 141 CO 0.09 0.11 -0.10 0.35 -1.08 0.00 0.00 179.45 178.82 1i21 h PHE 142 N 0.18 -0.22 -0.02 -1.35 3.57 -1.79 0.42 116.94 117.73 1i21 h PHE 142 Ca 0.28 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.71 1i21 h PHE 142 Cb 0.42 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1i21 h PHE 142 CO -0.29 -0.17 -0.47 1.88 -2.23 0.00 0.00 178.31 177.03 1i21 h TYR 143 N -0.01 0.06 -0.55 0.41 -1.99 0.27 -2.53 116.97 112.63 1i21 h TYR 143 Ca 0.18 -0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.82 1i21 h TYR 143 Cb 0.29 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 38.98 1i21 h TYR 143 CO -0.35 0.51 0.05 0.93 -0.00 0.00 0.00 178.16 179.31 1i21 h GLU 144 N 0.04 0.89 0.00 4.88 5.08 -0.28 -1.40 114.58 123.80 1i21 h GLU 144 Ca -0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1i21 h GLU 144 Cb 0.85 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1i21 h GLU 144 CO 0.06 0.85 0.00 0.87 -1.00 0.00 0.00 179.01 179.80 1i21 h LYS 145 N 0.84 0.00 -0.07 2.33 1.57 -0.51 -1.49 116.57 119.23 1i21 h LYS 145 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1i21 h LYS 145 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1i21 h LYS 145 CO 0.01 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.89 1i21 n GLY 147 N 1.23 0.78 3.89 0.00 0.00 -0.56 -4.95 105.19 105.57 1i21 n GLY 147 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1i21 n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i21 s PHE 148 N -2.00 3.45 0.20 1.61 0.40 -0.67 -4.99 117.98 115.99 1i21 s PHE 148 Ca 0.00 0.73 0.11 0.00 -0.60 0.00 0.00 56.93 57.17 1i21 s PHE 148 Cb 0.00 -2.15 -0.04 0.00 0.51 0.00 0.00 43.02 41.33 1i21 s PHE 148 CO 0.00 0.27 -0.23 -1.54 0.70 0.00 0.00 175.22 174.41 1i21 s SER 149 N -2.66 3.44 -0.46 1.36 1.04 -1.26 -3.92 113.70 111.24 1i21 s SER 149 Ca 0.45 -0.89 -0.28 0.00 0.48 0.00 0.00 55.95 55.71 1i21 s SER 149 Cb -0.11 -0.26 -0.01 0.00 0.10 0.00 0.00 66.02 65.74 1i21 s SER 149 CO 0.25 0.11 1.69 0.21 0.98 0.00 0.00 173.24 176.48 1i21 s ASN 150 N -2.78 5.82 -0.11 7.02 3.84 -1.26 -4.87 114.94 122.60 1i21 s ASN 150 Ca 0.22 0.78 0.14 0.00 0.21 0.00 0.00 52.86 54.21 1i21 s ASN 150 Cb -0.07 -2.53 0.31 0.00 -0.55 0.00 0.00 41.25 38.40 1i21 s ASN 150 CO 0.10 -1.86 1.21 0.00 -2.79 0.00 0.00 177.10 173.76 1i21 n ALA 151 N 10.67 2.41 0.00 1.71 0.00 -1.26 -5.10 120.51 128.95 1i21 n ALA 151 Ca 0.19 -2.10 0.00 0.00 0.00 0.00 0.00 53.44 51.54 1i21 n ALA 151 Cb 0.49 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1i21 n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i21 n GLY 152 N -0.81 -1.47 3.19 0.00 0.00 -1.26 -5.12 105.19 99.72 1i21 n GLY 152 Ca 0.14 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 1i21 n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i21 s VAL 153 N -2.73 1.82 0.81 1.61 1.01 -1.26 -5.12 120.40 116.53 1i21 s VAL 153 Ca 0.00 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 1i21 s VAL 153 Cb 0.00 -1.57 0.15 0.00 0.00 0.00 0.00 36.38 34.96 1i21 s VAL 153 CO 0.00 0.51 1.11 -0.70 0.00 0.00 0.00 175.10 176.02 1i21 s GLU 154 N 0.21 1.35 0.00 2.72 2.12 -1.26 -5.20 118.70 118.63 1i21 s GLU 154 Ca -0.12 -0.79 0.00 0.00 0.36 0.00 0.00 54.97 54.42 1i21 s GLU 154 Cb -0.15 -2.14 0.00 0.00 0.26 0.00 0.00 34.13 32.09 1i21 s GLU 154 CO 0.06 -1.78 0.00 0.00 -0.54 0.00 0.00 175.26 173.00 1i21 n GLN 156 N -3.17 0.00 -3.73 4.30 10.64 -1.26 -5.16 117.38 118.99 1i21 n GLN 156 Ca 0.14 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.19 1i21 n GLN 156 Cb 0.60 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.87 1i21 n GLN 156 CO 0.00 0.00 0.00 -1.50 -1.83 0.00 0.00 177.06 173.73 1i21 s ILE 157 N -2.00 -0.02 0.12 -0.39 2.07 -1.26 -5.15 121.20 114.56 1i21 s ILE 157 Ca 0.00 0.07 0.05 0.00 -1.41 0.00 0.00 60.65 59.36 1i21 s ILE 157 Cb 0.00 -0.47 -0.04 0.00 0.13 0.00 0.00 42.46 42.08 1i21 s ILE 157 CO 0.00 0.03 0.06 -0.13 -1.91 0.00 0.00 174.94 172.99 1i21 s ARG 158 N 0.86 2.71 0.00 3.50 0.52 -1.26 -5.44 118.95 119.84 1i21 s ARG 158 Ca -0.06 -0.84 0.04 0.00 -0.52 0.00 0.00 55.73 54.36 1i21 s ARG 158 Cb -0.07 -2.60 0.26 0.00 0.52 0.00 0.00 34.95 33.07 1i21 s ARG 158 CO -0.06 0.52 0.73 1.17 0.02 0.00 0.00 175.30 177.69