#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i22 n GLU 2 N 0.00 0.36 -3.84 2.12 1.02 -1.26 -3.27 120.64 115.78 3i22 n GLU 2 Ca 0.00 -2.37 -0.30 0.00 -0.02 0.00 0.00 57.16 54.47 3i22 n GLU 2 Cb 0.00 1.82 -0.14 0.00 -0.02 0.00 0.00 31.44 33.10 3i22 n GLU 2 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3i22 s LEU 3 N 0.00 3.54 0.25 -4.62 2.96 -1.26 -4.75 118.68 114.80 3i22 s LEU 3 Ca 0.26 -2.82 -0.31 0.00 -0.22 0.00 0.00 54.13 51.03 3i22 s LEU 3 Cb 0.01 -1.35 -0.12 0.00 0.50 0.00 0.00 46.19 45.23 3i22 s LEU 3 CO 0.18 -0.25 1.66 -0.69 -1.32 0.00 0.00 176.35 175.93 3i22 s VAL 4 N 0.02 2.07 0.00 1.68 1.01 -1.26 -2.61 120.40 121.31 3i22 s VAL 4 Ca 0.17 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.20 3i22 s VAL 4 Cb -0.25 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.09 3i22 s VAL 4 CO 0.00 0.01 0.00 0.18 0.00 0.00 0.00 175.10 175.29 3i22 n LEU 5 N 3.12 0.00 0.00 3.92 4.77 -1.26 -4.47 117.00 123.08 3i22 n LEU 5 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3i22 n LEU 5 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3i22 n LEU 5 CO 0.64 -0.42 0.50 1.17 -1.33 0.00 0.00 177.39 177.95 3i22 n LYS 6 N -0.70 0.00 0.00 3.23 4.81 -0.61 -4.65 118.16 120.23 3i22 n LYS 6 Ca 0.00 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 3i22 n LYS 6 Cb 0.00 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.56 3i22 n LYS 6 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3i22 n ASP 7 N -2.64 0.00 0.23 3.14 5.68 -1.26 -4.88 116.55 116.82 3i22 n ASP 7 Ca 0.00 -1.00 0.13 0.00 -0.50 0.00 0.00 54.79 53.42 3i22 n ASP 7 Cb 0.00 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 40.31 3i22 n ASP 7 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i22 h ALA 8 N 0.00 0.98 0.00 2.12 0.00 -1.98 -3.46 119.26 116.91 3i22 h ALA 8 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i22 h ALA 8 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3i22 h ALA 8 CO 0.00 0.06 0.00 0.94 0.00 0.00 0.00 179.25 180.25 3i22 n GLN 9 N -3.12 -0.36 0.26 0.00 -0.06 -1.26 -4.79 117.38 108.04 3i22 n GLN 9 Ca 0.03 0.09 0.17 0.00 -2.00 0.00 0.00 57.00 55.29 3i22 n GLN 9 Cb 0.47 -4.15 0.93 0.00 -4.06 0.00 0.00 30.24 23.43 3i22 n GLN 9 CO 0.00 0.00 0.00 0.77 -0.20 0.00 0.00 177.06 177.63 3i22 h SER 10 N 0.00 0.00 -0.71 1.69 0.02 -1.94 -3.45 113.55 109.16 3i22 h SER 10 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3i22 h SER 10 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3i22 h SER 10 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 3i22 n ALA 11 N -1.94 0.00 -0.21 3.77 0.00 -1.26 -4.90 120.51 115.97 3i22 n ALA 11 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3i22 n ALA 11 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 3i22 n ALA 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i22 n LEU 12 N 0.00 0.00 -1.74 0.00 7.94 -1.07 -4.74 117.00 117.39 3i22 n LEU 12 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3i22 n LEU 12 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3i22 n LEU 12 CO 0.00 0.00 -0.40 0.41 -1.11 0.00 0.00 177.39 176.29 3i22 n THR 13 N 0.00 -9.91 -4.68 1.96 -1.04 -1.26 -4.83 114.28 94.51 3i22 n THR 13 Ca 0.00 2.71 -0.24 0.00 -2.04 0.00 0.00 64.05 64.48 3i22 n THR 13 Cb 0.00 -4.46 -0.16 0.00 -1.82 0.00 0.00 70.33 63.90 3i22 n THR 13 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3i22 s VAL 14 N -0.82 1.19 0.26 12.58 -7.23 -1.20 -4.80 120.40 120.38 3i22 s VAL 14 Ca 0.00 -0.61 -0.31 0.00 -1.81 0.00 0.00 61.98 59.26 3i22 s VAL 14 Cb 0.00 -1.02 -0.12 0.00 0.56 0.00 0.00 36.38 35.80 3i22 s VAL 14 CO 0.00 0.35 1.53 -1.54 -0.31 0.00 0.00 175.10 175.12 3i22 n SER 15 N 3.01 3.40 0.12 4.85 3.41 -1.26 -4.63 113.62 122.52 3i22 n SER 15 Ca -0.17 1.14 0.07 0.00 -0.26 0.00 0.00 58.87 59.65 3i22 n SER 15 Cb 0.54 -1.52 0.39 0.00 -0.26 0.00 0.00 64.21 63.36 3i22 n SER 15 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3i22 n GLU 16 N 2.26 0.09 0.02 4.33 4.07 -1.26 -1.82 120.64 128.34 3i22 n GLU 16 Ca 0.11 0.58 -0.01 0.00 -0.06 0.00 0.00 57.16 57.77 3i22 n GLU 16 Cb 0.34 -1.88 -0.01 0.00 -0.06 0.00 0.00 31.44 29.83 3i22 n GLU 16 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 3i22 h THR 17 N 0.00 0.00 -0.18 6.31 1.35 -1.88 -3.36 112.91 115.15 3i22 h THR 17 Ca 0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 3i22 h THR 17 Cb 0.15 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.57 3i22 h THR 17 CO 0.00 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.62 3i22 n THR 18 N -3.06 0.45 -3.27 6.82 -2.24 -1.15 -4.52 114.28 107.31 3i22 n THR 18 Ca -0.01 -0.31 -0.05 0.00 -2.27 0.00 0.00 64.05 61.42 3i22 n THR 18 Cb 0.04 -0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.12 3i22 n THR 18 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3i22 s PHE 19 N -1.63 -1.19 0.00 4.78 0.08 -0.76 -4.80 117.98 114.46 3i22 s PHE 19 Ca 0.14 0.87 0.00 0.00 0.12 0.00 0.00 56.93 58.06 3i22 s PHE 19 Cb 0.09 0.11 0.00 0.00 -0.57 0.00 0.00 43.02 42.65 3i22 s PHE 19 CO 0.07 -0.89 0.00 0.41 -0.10 0.00 0.00 175.22 174.71 3i22 n GLY 20 N 5.38 0.56 3.42 4.36 0.00 -1.26 -4.04 105.19 113.61 3i22 n GLY 20 Ca -0.00 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 3i22 n GLY 20 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i22 s ARG 21 N -0.21 1.38 0.76 1.61 1.70 -1.26 -4.85 118.95 118.08 3i22 s ARG 21 Ca 0.00 -1.38 -0.13 0.00 -0.47 0.00 0.00 55.73 53.75 3i22 s ARG 21 Cb 0.00 0.39 0.20 0.00 -0.57 0.00 0.00 34.95 34.96 3i22 s ARG 21 CO 0.00 -0.53 0.52 -0.25 -1.08 0.00 0.00 175.30 173.97 3i22 n ASP 22 N -0.32 -2.63 -3.90 -2.89 8.00 -1.26 -4.76 116.55 108.79 3i22 n ASP 22 Ca -0.01 -0.62 -0.29 0.00 0.71 0.00 0.00 54.79 54.58 3i22 n ASP 22 Cb 0.63 -0.55 -0.13 0.00 -0.02 0.00 0.00 41.12 41.06 3i22 n ASP 22 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3i22 s PHE 23 N -1.78 3.31 -0.96 1.24 5.36 -1.26 -4.78 117.98 119.10 3i22 s PHE 23 Ca 0.38 -3.22 -0.25 0.00 -0.96 0.00 0.00 56.93 52.88 3i22 s PHE 23 Cb -0.06 -2.68 -0.09 0.00 -0.34 0.00 0.00 43.02 39.85 3i22 s PHE 23 CO 0.31 -0.64 2.05 -0.80 -1.46 0.00 0.00 175.22 174.68 3i22 s ASN 24 N -0.90 4.71 0.26 6.13 0.01 -1.26 -4.80 114.94 119.09 3i22 s ASN 24 Ca 0.22 -0.77 -0.02 0.00 -0.71 0.00 0.00 52.86 51.57 3i22 s ASN 24 Cb -0.14 -2.57 0.43 0.00 0.41 0.00 0.00 41.25 39.39 3i22 s ASN 24 CO -0.09 -3.24 1.86 -0.08 -1.51 0.00 0.00 177.10 174.04 3i22 h GLU 25 N 11.25 1.04 -0.28 -0.60 4.81 -1.98 0.11 114.58 128.93 3i22 h GLU 25 Ca 0.10 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.08 3i22 h GLU 25 Cb 0.99 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 3i22 h GLU 25 CO 1.15 0.69 -0.54 0.00 -0.73 0.00 0.00 179.01 179.58 3i22 h ALA 26 N 1.47 0.50 -0.32 2.92 0.00 -1.98 -0.96 119.26 120.89 3i22 h ALA 26 Ca 0.44 -0.51 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 3i22 h ALA 26 Cb 0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3i22 h ALA 26 CO -0.20 0.68 -0.42 1.25 0.00 0.00 0.00 179.25 180.56 3i22 h LEU 27 N 0.65 0.92 -0.51 0.00 5.85 -1.77 -1.30 115.31 119.15 3i22 h LEU 27 Ca 0.02 -0.50 -0.16 0.00 0.84 0.00 0.00 57.88 58.07 3i22 h LEU 27 Cb 1.14 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3i22 h LEU 27 CO 0.12 1.24 -0.62 -0.37 -0.34 0.00 0.00 178.44 178.46 3i22 h VAL 28 N 0.63 1.36 0.00 1.05 -1.51 -0.83 -2.98 116.25 113.96 3i22 h VAL 28 Ca 0.04 -1.95 -0.11 0.00 -1.23 0.00 0.00 66.70 63.44 3i22 h VAL 28 Cb 1.02 1.94 -0.02 0.00 -2.13 0.00 0.00 31.29 32.11 3i22 h VAL 28 CO 0.10 0.59 -0.52 -0.74 -1.23 0.00 0.00 177.57 175.77 3i22 h HIS 29 N 0.31 0.00 0.00 5.19 -0.00 -1.12 -2.91 115.15 116.62 3i22 h HIS 29 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 3i22 h HIS 29 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 3i22 h HIS 29 CO 0.04 0.52 0.00 0.94 -0.00 0.00 0.00 177.93 179.43 3i22 n GLN 30 N -3.81 0.13 -0.03 5.26 7.27 -0.50 -2.40 117.38 123.30 3i22 n GLN 30 Ca -0.01 0.33 0.03 0.00 0.07 0.00 0.00 57.00 57.41 3i22 n GLN 30 Cb 0.55 -1.73 0.04 0.00 2.41 0.00 0.00 30.24 31.51 3i22 n GLN 30 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 3i22 n VAL 31 N -1.97 0.28 -0.03 1.69 0.24 -1.11 -4.19 118.33 113.24 3i22 n VAL 31 Ca 0.03 -0.64 -0.03 0.00 -2.04 0.00 0.00 64.34 61.66 3i22 n VAL 31 Cb 0.24 0.95 -0.04 0.00 -1.47 0.00 0.00 33.84 33.51 3i22 n VAL 31 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3i22 n VAL 32 N 0.25 0.36 0.11 3.34 0.24 -1.07 -3.55 118.33 118.01 3i22 n VAL 32 Ca 0.04 -0.21 0.04 0.00 -2.04 0.00 0.00 64.34 62.18 3i22 n VAL 32 Cb 0.21 -0.85 0.00 0.00 -1.47 0.00 0.00 33.84 31.73 3i22 n VAL 32 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3i22 h VAL 33 N 0.00 0.50 0.00 3.34 2.07 -1.75 -2.52 116.25 117.89 3i22 h VAL 33 Ca -0.14 -1.81 -0.02 0.00 0.82 0.00 0.00 66.70 65.55 3i22 h VAL 33 Cb 1.31 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 33.17 3i22 h VAL 33 CO 0.00 0.29 -0.09 0.00 0.02 0.00 0.00 177.57 177.79 3i22 h ALA 34 N 1.61 0.97 0.07 1.67 0.00 -1.77 -2.86 119.26 118.96 3i22 h ALA 34 Ca -0.06 -0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.51 3i22 h ALA 34 Cb 1.35 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.14 3i22 h ALA 34 CO 0.04 0.12 -1.12 -0.92 0.00 0.00 0.00 179.25 177.36 3i22 h TYR 35 N 0.00 0.72 -0.07 0.00 5.03 -1.58 -3.03 116.97 118.04 3i22 h TYR 35 Ca -0.00 -0.45 0.02 0.00 2.58 0.00 0.00 58.73 60.88 3i22 h TYR 35 Cb 0.80 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 39.01 3i22 h TYR 35 CO 0.00 1.30 0.11 0.00 -1.32 0.00 0.00 178.16 178.25 3i22 h ALA 36 N 0.54 1.48 -2.16 1.82 0.00 -1.22 -3.35 119.26 116.38 3i22 h ALA 36 Ca -0.13 -0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.32 3i22 h ALA 36 Cb 1.80 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 3i22 h ALA 36 CO 0.20 -0.14 0.36 0.00 0.00 0.00 0.00 179.25 179.66 3i22 s ALA 37 N -4.46 2.99 0.00 0.00 0.00 -1.14 -0.92 121.76 118.22 3i22 s ALA 37 Ca -0.05 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.34 3i22 s ALA 37 Cb 0.14 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 20.08 3i22 s ALA 37 CO 0.49 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.59 3i22 n GLY 38 N -0.66 1.95 0.24 0.00 0.00 -1.26 -4.38 105.19 101.09 3i22 n GLY 38 Ca 0.08 -0.30 0.14 0.00 0.00 0.00 0.00 46.02 45.93 3i22 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i22 h ALA 39 N 0.00 0.99 -1.72 4.61 0.00 -1.69 -3.39 119.26 118.06 3i22 h ALA 39 Ca 0.00 -0.05 -0.64 0.00 0.00 0.00 0.00 54.91 54.23 3i22 h ALA 39 Cb 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 17.63 3i22 h ALA 39 CO 0.00 0.06 0.47 0.50 0.00 0.00 0.00 179.25 180.29 3i22 s ARG 40 N -3.47 3.13 0.00 0.00 6.06 -0.10 -5.00 118.95 119.58 3i22 s ARG 40 Ca 0.03 -0.81 0.00 0.00 -2.50 0.00 0.00 55.73 52.45 3i22 s ARG 40 Cb 0.08 -4.20 0.00 0.00 0.06 0.00 0.00 34.95 30.88 3i22 s ARG 40 CO 0.61 -1.72 0.00 0.94 -2.50 0.00 0.00 175.30 172.63 3i22 n GLN 41 N 7.45 0.00 0.00 5.12 7.27 -1.26 -4.44 117.38 131.52 3i22 n GLN 41 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.03 3i22 n GLN 41 Cb 0.45 -0.12 0.00 0.00 2.41 0.00 0.00 30.24 32.99 3i22 n GLN 41 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i22 n GLY 42 N 0.58 -0.36 3.49 1.69 0.00 -1.26 -4.36 105.19 104.98 3i22 n GLY 42 Ca 0.00 0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 3i22 n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i22 n THR 43 N 0.00 -6.81 -3.47 2.61 -2.24 -1.25 -4.75 114.28 98.36 3i22 n THR 43 Ca 0.00 -0.55 -0.37 0.00 -2.27 0.00 0.00 64.05 60.86 3i22 n THR 43 Cb 0.00 -4.95 -0.06 0.00 -2.10 0.00 0.00 70.33 63.22 3i22 n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i22 s ARG 44 N -4.73 3.92 0.00 -0.78 1.81 -1.26 -4.92 118.95 112.99 3i22 s ARG 44 Ca 0.22 0.41 0.00 0.00 -1.72 0.00 0.00 55.73 54.64 3i22 s ARG 44 Cb -0.07 -3.12 0.00 0.00 -0.45 0.00 0.00 34.95 31.30 3i22 s ARG 44 CO 0.83 0.62 0.00 0.00 -0.68 0.00 0.00 175.30 176.07 3i22 n ALA 45 N 1.43 0.00 -0.09 2.13 0.00 -1.26 -3.19 120.51 119.52 3i22 n ALA 45 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3i22 n ALA 45 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.97 3i22 n ALA 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i22 n GLN 46 N 0.00 -0.24 -3.84 0.00 1.13 -1.26 -4.41 117.38 108.75 3i22 n GLN 46 Ca 0.00 0.19 -0.12 0.00 -1.94 0.00 0.00 57.00 55.13 3i22 n GLN 46 Cb 0.00 -0.24 -0.13 0.00 0.11 0.00 0.00 30.24 29.98 3i22 n GLN 46 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3i22 s LYS 47 N -3.95 0.14 0.58 -1.09 1.02 -1.26 -4.91 119.74 110.27 3i22 s LYS 47 Ca 0.00 0.08 -0.10 0.00 0.02 0.00 0.00 55.97 55.97 3i22 s LYS 47 Cb 0.00 0.06 0.13 0.00 -0.52 0.00 0.00 37.83 37.51 3i22 s LYS 47 CO 0.00 -0.02 0.79 0.25 -0.92 0.00 0.00 175.35 175.45 3i22 n THR 48 N 2.91 0.00 1.18 2.17 -2.24 -1.26 -3.04 114.28 113.98 3i22 n THR 48 Ca -0.13 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 3i22 n THR 48 Cb 0.59 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 3i22 n THR 48 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3i22 n ARG 49 N -2.68 0.71 -0.02 -0.78 1.85 -1.26 -2.23 116.66 112.25 3i22 n ARG 49 Ca 0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.92 3i22 n ARG 49 Cb 0.34 -1.12 -0.03 0.00 -1.05 0.00 0.00 32.46 30.60 3i22 n ARG 49 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i22 n ALA 50 N -0.28 1.89 0.09 2.89 0.00 -1.26 -4.65 120.51 119.19 3i22 n ALA 50 Ca 0.00 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.04 3i22 n ALA 50 Cb 0.06 0.19 -0.08 0.00 0.00 0.00 0.00 19.45 19.63 3i22 n ALA 50 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i22 h GLU 51 N 0.00 0.27 -6.62 0.00 4.39 -1.79 -3.45 114.58 107.37 3i22 h GLU 51 Ca -0.12 -0.35 -0.58 0.00 0.34 0.00 0.00 59.36 58.64 3i22 h GLU 51 Cb 1.26 0.12 0.10 0.00 -0.10 0.00 0.00 28.75 30.12 3i22 h GLU 51 CO 0.00 1.10 0.42 0.28 -1.16 0.00 0.00 179.01 179.65 3i22 n VAL 52 N -3.61 1.71 -4.73 3.13 0.31 -0.95 -4.95 118.33 109.25 3i22 n VAL 52 Ca -0.06 -0.43 -0.32 0.00 -0.01 0.00 0.00 64.34 63.52 3i22 n VAL 52 Cb 0.91 -1.37 -0.08 0.00 -0.91 0.00 0.00 33.84 32.39 3i22 n VAL 52 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3i22 s THR 53 N -0.81 1.27 0.00 2.52 -1.32 -1.26 -4.86 115.64 111.18 3i22 s THR 53 Ca 0.60 -1.99 0.00 0.00 -1.21 0.00 0.00 61.69 59.09 3i22 s THR 53 Cb -0.63 -2.26 0.00 0.00 -1.51 0.00 0.00 72.50 68.09 3i22 s THR 53 CO 0.58 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.60 3i22 n GLY 54 N -1.24 2.33 0.00 6.08 0.00 -1.26 -5.06 105.19 106.04 3i22 n GLY 54 Ca -0.17 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3i22 n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i22 n SER 55 N 0.00 0.00 -1.16 1.61 3.41 -1.26 -5.03 113.62 111.19 3i22 n SER 55 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 3i22 n SER 55 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 3i22 n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i22 n GLY 56 N 0.00 0.20 3.71 5.00 0.00 -1.26 -5.12 105.19 107.71 3i22 n GLY 56 Ca 0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3i22 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i22 s LYS 57 N 0.02 4.53 -0.36 1.61 -0.14 -1.26 -5.03 119.74 119.12 3i22 s LYS 57 Ca 0.01 1.51 -0.02 0.00 -1.36 0.00 0.00 55.97 56.11 3i22 s LYS 57 Cb 0.07 -3.43 0.08 0.00 -1.68 0.00 0.00 37.83 32.87 3i22 s LYS 57 CO -0.02 -0.09 0.11 0.15 -0.76 0.00 0.00 175.35 174.74 3i22 s LYS 58 N 0.98 2.17 0.31 1.68 3.01 -1.26 -3.70 119.74 122.93 3i22 s LYS 58 Ca 0.53 -1.57 -0.29 0.00 -1.01 0.00 0.00 55.97 53.63 3i22 s LYS 58 Cb -0.23 -3.40 -0.10 0.00 -1.01 0.00 0.00 37.83 33.09 3i22 s LYS 58 CO 0.28 -0.87 1.29 -2.14 0.51 0.00 0.00 175.35 174.43 3i22 s PRO 59 N 1.18 4.38 0.00 -1.68 0.02 -1.26 -4.95 135.00 132.70 3i22 s PRO 59 Ca 0.03 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.21 3i22 s PRO 59 Cb -0.21 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.21 3i22 s PRO 59 CO -0.03 -0.17 0.00 0.91 -0.33 0.00 0.00 177.00 177.39 3i22 n TRP 60 N 1.09 0.00 -0.59 6.54 7.02 -1.26 -4.58 117.44 125.66 3i22 n TRP 60 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 3i22 n TRP 60 Cb 0.42 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.31 3i22 n TRP 60 CO 0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 177.69 173.54 3i22 n ARG 61 N 0.00 0.00 0.00 -0.99 0.00 -1.26 -4.96 116.66 109.45 3i22 n ARG 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3i22 n ARG 61 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 32.46 29.38 3i22 n ARG 61 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3i22 n GLN 62 N -2.00 0.00 -1.54 -0.14 7.27 -1.26 -4.03 117.38 115.68 3i22 n GLN 62 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 56.79 3i22 n GLN 62 Cb 0.00 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.58 3i22 n GLN 62 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3i22 n LYS 63 N 0.00 0.68 0.00 3.69 4.76 -1.26 -2.20 118.16 123.82 3i22 n LYS 63 Ca 0.00 -0.28 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 3i22 n LYS 63 Cb 0.00 -3.10 0.00 0.00 -1.84 0.00 0.00 35.03 30.09 3i22 n LYS 63 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i22 n GLY 64 N 6.29 -0.15 3.87 0.72 0.00 -1.26 -5.15 105.19 109.51 3i22 n GLY 64 Ca 0.46 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.26 3i22 n GLY 64 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i22 s THR 65 N 0.00 2.34 0.02 2.61 -1.32 -0.94 -5.05 115.64 113.31 3i22 s THR 65 Ca 0.00 -1.41 -0.18 0.00 -1.21 0.00 0.00 61.69 58.89 3i22 s THR 65 Cb 0.00 -2.74 -0.23 0.00 -1.51 0.00 0.00 72.50 68.01 3i22 s THR 65 CO 0.00 0.00 1.13 1.23 -2.21 0.00 0.00 174.62 174.77 3i22 h GLY 66 N 0.96 0.55 -2.14 6.08 0.00 -1.97 -3.46 103.07 103.09 3i22 h GLY 66 Ca -0.40 -0.96 -0.55 0.00 0.00 0.00 0.00 47.33 45.42 3i22 h GLY 66 CO 0.58 0.85 0.51 1.09 0.00 0.00 0.00 176.54 179.57 3i22 s ARG 67 N -3.25 2.71 -0.73 4.80 1.70 -1.26 -4.96 118.95 117.96 3i22 s ARG 67 Ca -0.12 2.01 -0.18 0.00 -0.47 0.00 0.00 55.73 56.96 3i22 s ARG 67 Cb 0.04 -1.89 0.13 0.00 -0.57 0.00 0.00 34.95 32.66 3i22 s ARG 67 CO 0.85 -1.46 0.86 0.00 -1.08 0.00 0.00 175.30 174.47 3i22 s ALA 68 N -1.44 3.48 0.00 7.88 0.00 -1.26 -4.88 121.76 125.54 3i22 s ALA 68 Ca 0.81 -2.53 0.00 0.00 0.00 0.00 0.00 51.96 50.24 3i22 s ALA 68 Cb -0.36 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.06 3i22 s ALA 68 CO 0.38 -2.56 0.00 0.54 0.00 0.00 0.00 175.76 174.12 3i22 n ARG 69 N 6.13 0.00 -2.55 0.00 3.00 -1.26 -4.76 116.66 117.22 3i22 n ARG 69 Ca 0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 57.85 57.79 3i22 n ARG 69 Cb 0.45 0.00 0.04 0.00 0.00 0.00 0.00 32.46 32.95 3i22 n ARG 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3i22 n SER 70 N 1.24 -4.27 -0.15 0.55 2.88 -1.26 -4.54 113.62 108.07 3i22 n SER 70 Ca 0.00 -0.40 -0.03 0.00 -1.33 0.00 0.00 58.87 57.11 3i22 n SER 70 Cb 0.00 -3.19 0.04 0.00 -0.75 0.00 0.00 64.21 60.31 3i22 n SER 70 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3i22 h GLY 71 N -0.69 0.38 -4.13 0.46 0.00 -1.86 -3.35 103.07 93.89 3i22 h GLY 71 Ca -0.35 0.13 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 3i22 h GLY 71 CO 0.26 -0.17 -0.35 -0.45 0.00 0.00 0.00 176.54 175.82 3i22 s SER 72 N -5.23 -0.04 0.00 0.19 0.15 -1.26 -4.64 113.70 102.87 3i22 s SER 72 Ca -0.14 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.29 3i22 s SER 72 Cb 0.16 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 3i22 s SER 72 CO 0.72 -0.52 0.58 0.00 1.20 0.00 0.00 173.24 175.21 3i22 n ILE 73 N 0.88 0.00 -0.23 6.45 0.13 -1.24 -3.44 119.36 121.90 3i22 n ILE 73 Ca -0.20 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.45 3i22 n ILE 73 Cb 0.58 -0.23 0.00 0.00 -0.84 0.00 0.00 39.64 39.15 3i22 n ILE 73 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 3i22 n LYS 74 N -0.24 1.64 -1.06 9.51 5.02 -1.26 -4.94 118.16 126.82 3i22 n LYS 74 Ca 0.00 -0.09 -0.34 0.00 -2.02 0.00 0.00 58.31 55.86 3i22 n LYS 74 Cb 0.07 -0.42 0.12 0.00 -0.02 0.00 0.00 35.03 34.78 3i22 n LYS 74 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3i22 n SER 75 N -0.26 0.08 0.30 4.39 3.41 -1.22 -4.14 113.62 116.17 3i22 n SER 75 Ca 0.00 0.54 0.18 0.00 -0.26 0.00 0.00 58.87 59.33 3i22 n SER 75 Cb 0.06 -1.40 0.88 0.00 -0.26 0.00 0.00 64.21 63.48 3i22 n SER 75 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3i22 h PRO 76 N -0.96 0.00 0.00 4.33 0.11 -1.85 -0.16 132.00 133.47 3i22 h PRO 76 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i22 h PRO 76 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3i22 h PRO 76 CO 0.43 0.03 0.00 -0.89 -0.21 0.00 0.00 178.00 177.36 3i22 n ILE 77 N -3.22 0.01 -3.50 4.15 2.08 -1.26 -4.81 119.36 112.81 3i22 n ILE 77 Ca -0.01 0.00 -0.23 0.00 0.56 0.00 0.00 62.75 63.07 3i22 n ILE 77 Cb 0.21 -0.51 -0.01 0.00 -0.75 0.00 0.00 39.64 38.58 3i22 n ILE 77 CO 0.00 0.00 0.00 0.86 0.56 0.00 0.00 176.55 177.97 3i22 s TRP 78 N -2.21 3.49 0.00 1.39 -0.11 -0.07 -5.11 118.94 116.31 3i22 s TRP 78 Ca 0.40 0.28 0.00 0.00 1.22 0.00 0.00 56.10 58.00 3i22 s TRP 78 Cb 0.21 -1.83 0.00 0.00 -1.50 0.00 0.00 33.47 30.35 3i22 s TRP 78 CO 0.40 0.19 0.00 -2.13 -4.62 0.00 0.00 176.95 170.79 3i22 n ARG 79 N -1.68 3.28 -1.14 5.86 0.63 -1.26 -4.69 116.66 117.66 3i22 n ARG 79 Ca -0.06 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.85 3i22 n ARG 79 Cb 0.56 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.47 3i22 n ARG 79 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3i22 n SER 80 N 0.00 -0.32 -1.23 6.15 7.64 -1.26 -4.49 113.62 120.11 3i22 n SER 80 Ca 0.00 -0.01 0.16 0.00 1.01 0.00 0.00 58.87 60.03 3i22 n SER 80 Cb 0.00 -0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.04 3i22 n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i22 n GLY 81 N -0.00 -2.65 0.00 0.23 0.00 -1.26 -4.86 105.19 96.65 3i22 n GLY 81 Ca -0.01 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3i22 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i22 n GLY 82 N -4.03 0.52 3.73 -0.02 0.00 -1.26 -4.73 105.19 99.40 3i22 n GLY 82 Ca -0.04 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 3i22 n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i22 s VAL 83 N 0.00 3.47 -0.03 1.61 1.01 -1.17 -3.88 120.40 121.41 3i22 s VAL 83 Ca 0.00 1.19 -0.23 0.00 0.00 0.00 0.00 61.98 62.94 3i22 s VAL 83 Cb 0.00 -3.76 -0.23 0.00 0.00 0.00 0.00 36.38 32.39 3i22 s VAL 83 CO 0.00 0.17 1.08 0.74 0.00 0.00 0.00 175.10 177.08 3i22 h THR 84 N 3.87 1.49 -0.57 3.92 2.02 -1.94 -3.37 112.91 118.34 3i22 h THR 84 Ca -0.44 -1.93 -0.40 0.00 0.77 0.00 0.00 66.41 64.41 3i22 h THR 84 Cb 1.21 2.64 -0.38 0.00 -1.74 0.00 0.00 68.15 69.89 3i22 h THR 84 CO 0.77 0.54 -0.87 0.49 0.37 0.00 0.00 175.52 176.82 3i22 n PHE 85 N -4.43 2.00 -1.13 3.16 3.72 -1.26 -4.89 117.46 114.64 3i22 n PHE 85 Ca -0.10 -2.06 -0.46 0.00 -0.05 0.00 0.00 57.45 54.79 3i22 n PHE 85 Cb 0.54 -0.30 -0.07 0.00 -0.94 0.00 0.00 39.48 38.71 3i22 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i22 n ALA 86 N -0.68 -0.68 -2.68 4.37 0.00 -1.26 -4.86 120.51 114.72 3i22 n ALA 86 Ca 0.31 0.29 -0.41 0.00 0.00 0.00 0.00 53.44 53.64 3i22 n ALA 86 Cb 0.91 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 3i22 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 s ALA 87 N 2.55 3.25 1.12 0.00 0.00 -1.26 -4.86 121.76 122.55 3i22 s ALA 87 Ca 0.75 0.35 -0.16 0.00 0.00 0.00 0.00 51.96 52.89 3i22 s ALA 87 Cb -1.03 -3.15 0.23 0.00 0.00 0.00 0.00 23.12 19.17 3i22 s ALA 87 CO 0.54 -0.15 1.04 0.54 0.00 0.00 0.00 175.76 177.73 3i22 n ARG 88 N 3.75 -2.09 -1.52 0.00 5.12 -1.26 -4.40 116.66 116.26 3i22 n ARG 88 Ca 0.02 -1.63 -0.48 0.00 -1.93 0.00 0.00 57.85 53.83 3i22 n ARG 88 Cb 0.51 -1.32 -0.03 0.00 -1.16 0.00 0.00 32.46 30.46 3i22 n ARG 88 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3i22 n PRO 89 N -3.97 0.75 -4.88 5.56 -0.02 -1.19 -4.27 135.00 126.98 3i22 n PRO 89 Ca 0.14 0.26 -0.30 0.00 -2.02 0.00 0.00 63.50 61.58 3i22 n PRO 89 Cb 0.51 -1.55 -0.14 0.00 -0.02 0.00 0.00 33.50 32.29 3i22 n PRO 89 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3i22 s GLN 90 N -0.95 1.85 -0.13 -0.52 2.00 -1.26 -4.83 119.66 115.82 3i22 s GLN 90 Ca 0.67 -1.09 0.02 0.00 -2.00 0.00 0.00 55.36 52.96 3i22 s GLN 90 Cb -0.86 -2.01 0.01 0.00 0.80 0.00 0.00 33.01 30.95 3i22 s GLN 90 CO 0.56 0.52 -0.19 0.34 -0.50 0.00 0.00 175.29 176.02 3i22 s ASP 91 N -1.26 2.85 0.00 6.67 2.15 -1.26 -3.96 116.67 121.86 3i22 s ASP 91 Ca 0.12 -0.54 0.09 0.00 0.43 0.00 0.00 52.55 52.65 3i22 s ASP 91 Cb -0.10 -1.31 0.14 0.00 -0.30 0.00 0.00 42.92 41.35 3i22 s ASP 91 CO 0.02 0.05 0.94 1.41 -0.17 0.00 0.00 175.17 177.43 3i22 n HIS 92 N 4.13 0.14 -1.62 -5.34 8.25 -1.26 -5.01 115.22 114.51 3i22 n HIS 92 Ca -0.20 -0.19 -0.46 0.00 -0.26 0.00 0.00 57.72 56.61 3i22 n HIS 92 Cb 0.51 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.57 3i22 n HIS 92 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3i22 n SER 93 N 0.42 3.32 -4.84 0.41 7.64 -1.26 -4.62 113.62 114.70 3i22 n SER 93 Ca 0.07 0.68 -0.32 0.00 1.01 0.00 0.00 58.87 60.31 3i22 n SER 93 Cb 0.29 -1.43 -0.01 0.00 -1.01 0.00 0.00 64.21 62.05 3i22 n SER 93 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3i22 s GLN 94 N 5.05 3.71 0.22 1.43 -1.52 -1.26 -4.97 119.66 122.32 3i22 s GLN 94 Ca 0.97 0.96 -0.09 0.00 -1.95 0.00 0.00 55.36 55.25 3i22 s GLN 94 Cb -0.59 -2.10 0.19 0.00 -0.22 0.00 0.00 33.01 30.29 3i22 s GLN 94 CO 0.46 -0.47 1.88 -0.22 -0.25 0.00 0.00 175.29 176.68 3i22 h LYS 95 N 0.50 1.01 -5.39 2.91 3.64 -1.93 -3.48 116.57 113.83 3i22 h LYS 95 Ca -0.46 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3i22 h LYS 95 Cb 1.19 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.75 3i22 h LYS 95 CO 0.61 0.67 -1.08 0.28 -2.27 0.00 0.00 179.45 177.65 3i22 n VAL 96 N -4.56 -9.75 -1.93 2.00 0.31 -1.26 -4.83 118.33 98.32 3i22 n VAL 96 Ca 0.08 1.74 -0.43 0.00 -0.01 0.00 0.00 64.34 65.73 3i22 n VAL 96 Cb 0.04 -5.83 -0.03 0.00 -0.91 0.00 0.00 33.84 27.11 3i22 n VAL 96 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3i22 s ASN 97 N -1.13 6.18 -1.00 4.52 3.84 -1.26 -4.87 114.94 121.22 3i22 s ASN 97 Ca -0.08 1.85 -0.24 0.00 0.21 0.00 0.00 52.86 54.60 3i22 s ASN 97 Cb 0.01 -2.53 -0.15 0.00 -0.55 0.00 0.00 41.25 38.02 3i22 s ASN 97 CO 0.60 -1.38 1.94 1.17 -2.79 0.00 0.00 177.10 176.63 3i22 n LYS 98 N 7.89 1.17 0.00 0.43 4.81 -1.26 -0.45 118.16 130.76 3i22 n LYS 98 Ca 0.21 -2.10 0.00 0.00 -0.87 0.00 0.00 58.31 55.56 3i22 n LYS 98 Cb 0.44 -3.53 0.00 0.00 0.02 0.00 0.00 35.03 31.97 3i22 n LYS 98 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3i22 n LYS 99 N 7.99 0.00 0.02 1.64 4.81 -1.26 -4.87 118.16 126.49 3i22 n LYS 99 Ca 0.45 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 58.02 3i22 n LYS 99 Cb 0.45 0.00 0.29 0.00 0.02 0.00 0.00 35.03 35.79 3i22 n LYS 99 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 3i22 n MET 100 N 0.00 0.09 0.13 1.64 2.81 0.41 -1.89 117.12 120.30 3i22 n MET 100 Ca 0.00 0.03 -0.20 0.00 -1.81 0.00 0.00 57.70 55.72 3i22 n MET 100 Cb 0.00 -1.56 -0.15 0.00 -0.71 0.00 0.00 33.22 30.80 3i22 n MET 100 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 3i22 h TYR 101 N 0.00 0.73 0.09 2.03 3.20 -1.74 -2.99 116.97 118.30 3i22 h TYR 101 Ca 0.00 -0.54 -0.00 0.00 3.14 0.00 0.00 58.73 61.33 3i22 h TYR 101 Cb 0.57 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.81 3i22 h TYR 101 CO 0.00 1.42 -0.05 0.00 -1.64 0.00 0.00 178.16 177.90 3i22 h ARG 102 N 0.11 -0.12 0.00 1.82 3.08 -1.85 -1.40 114.38 116.02 3i22 h ARG 102 Ca -0.20 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3i22 h ARG 102 Cb 2.07 0.03 0.00 0.00 0.08 0.00 0.00 29.97 32.15 3i22 h ARG 102 CO 0.24 0.33 0.35 0.78 -1.07 0.00 0.00 179.97 180.60 3i22 h GLY 103 N -0.94 0.00 0.32 0.04 0.00 -1.54 -0.57 103.07 100.38 3i22 h GLY 103 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.95 3i22 h GLY 103 CO 0.02 0.00 -2.08 0.00 0.00 0.00 0.00 176.54 174.48 3i22 n ALA 104 N -1.87 1.05 0.25 3.60 0.00 -1.13 -4.10 120.51 118.31 3i22 n ALA 104 Ca -0.02 -0.76 0.18 0.00 0.00 0.00 0.00 53.44 52.84 3i22 n ALA 104 Cb 0.39 -0.44 0.87 0.00 0.00 0.00 0.00 19.45 20.27 3i22 n ALA 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i22 h LEU 105 N -0.17 0.00 0.05 0.00 7.12 0.05 -1.39 115.31 120.97 3i22 h LEU 105 Ca -0.48 0.00 -0.15 0.00 0.13 0.00 0.00 57.88 57.38 3i22 h LEU 105 Cb 1.87 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 42.02 3i22 h LEU 105 CO -0.04 0.00 -0.60 0.11 -0.13 0.00 0.00 178.44 177.78 3i22 h LYS 106 N 0.00 0.32 -0.47 1.25 1.57 -1.61 -3.06 116.57 114.58 3i22 h LYS 106 Ca 0.06 -0.41 -0.13 0.00 -1.87 0.00 0.00 60.65 58.30 3i22 h LYS 106 Cb 0.58 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3i22 h LYS 106 CO -0.00 1.12 -0.23 0.77 -0.57 0.00 0.00 179.45 180.54 3i22 h SER 107 N -0.29 1.01 0.51 0.86 0.02 -1.43 1.35 113.55 115.58 3i22 h SER 107 Ca -0.09 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 3i22 h SER 107 Cb 1.37 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3i22 h SER 107 CO 0.12 1.20 0.00 0.00 -1.14 0.00 0.00 176.83 177.00 3i22 n ILE 108 N -4.12 0.96 -0.08 3.27 0.00 -0.78 -1.66 119.36 116.96 3i22 n ILE 108 Ca -0.00 0.35 -0.09 0.00 0.00 0.00 0.00 62.75 63.01 3i22 n ILE 108 Cb 0.47 -1.27 -0.10 0.00 0.00 0.00 0.00 39.64 38.73 3i22 n ILE 108 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3i22 n LEU 109 N -2.09 1.17 0.01 9.51 7.94 -0.67 -3.67 117.00 129.20 3i22 n LEU 109 Ca 0.01 -0.04 -0.13 0.00 -1.11 0.00 0.00 56.01 54.75 3i22 n LEU 109 Cb 0.17 -0.04 -0.09 0.00 0.53 0.00 0.00 43.42 43.99 3i22 n LEU 109 CO 0.16 0.53 0.55 0.28 -1.11 0.00 0.00 177.39 177.79 3i22 h SER 110 N 0.00 -0.07 0.17 1.96 0.02 0.19 -1.57 113.55 114.24 3i22 h SER 110 Ca -0.39 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.08 3i22 h SER 110 Cb 1.77 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 64.33 3i22 h SER 110 CO -0.01 0.46 -0.05 -0.08 -1.14 0.00 0.00 176.83 176.01 3i22 h GLU 111 N -0.65 0.00 0.00 3.45 4.22 -1.54 0.36 114.58 120.43 3i22 h GLU 111 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.43 3i22 h GLU 111 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3i22 h GLU 111 CO 0.01 0.05 0.00 1.25 -2.18 0.00 0.00 179.01 178.14 3i22 h LEU 112 N 0.00 0.00 0.00 1.64 7.12 -1.54 -2.69 115.31 119.83 3i22 h LEU 112 Ca -0.00 0.00 -0.10 0.00 0.13 0.00 0.00 57.88 57.91 3i22 h LEU 112 Cb 0.15 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.26 3i22 h LEU 112 CO 0.01 0.00 -1.84 0.55 -0.13 0.00 0.00 178.44 177.03 3i22 n VAL 113 N -2.66 0.38 0.07 1.05 3.14 0.95 -2.12 118.33 119.13 3i22 n VAL 113 Ca 0.02 -0.46 -0.13 0.00 -2.96 0.00 0.00 64.34 60.81 3i22 n VAL 113 Cb 0.31 -0.15 -0.08 0.00 -1.06 0.00 0.00 33.84 32.86 3i22 n VAL 113 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 3i22 h ARG 114 N 0.00 -0.16 -1.95 1.45 3.08 -0.54 -2.89 114.38 113.38 3i22 h ARG 114 Ca -0.15 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 3i22 h ARG 114 Cb 1.18 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 3i22 h ARG 114 CO 0.01 0.13 0.03 1.04 -1.07 0.00 0.00 179.97 180.11 3i22 n GLN 115 N -5.03 1.05 -1.55 0.04 1.13 -1.03 -4.81 117.38 107.18 3i22 n GLN 115 Ca -0.09 -0.10 0.00 0.00 -1.94 0.00 0.00 57.00 54.87 3i22 n GLN 115 Cb 0.19 -1.04 0.00 0.00 0.11 0.00 0.00 30.24 29.51 3i22 n GLN 115 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3i22 n ASP 116 N 1.41 -0.53 -0.11 1.08 5.68 -1.09 -4.66 116.55 118.33 3i22 n ASP 116 Ca 0.02 0.26 0.13 0.00 -0.50 0.00 0.00 54.79 54.70 3i22 n ASP 116 Cb 0.51 -0.54 0.72 0.00 -1.14 0.00 0.00 41.12 40.67 3i22 n ASP 116 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 3i22 n ARG 117 N -1.33 1.16 -3.83 0.11 3.00 -1.06 -4.64 116.66 110.07 3i22 n ARG 117 Ca 0.00 -0.23 -0.36 0.00 -0.00 0.00 0.00 57.85 57.26 3i22 n ARG 117 Cb 0.26 -1.42 -0.13 0.00 0.00 0.00 0.00 32.46 31.17 3i22 n ARG 117 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3i22 s LEU 118 N -1.83 4.29 -0.53 6.15 2.96 -0.90 -3.34 118.68 125.48 3i22 s LEU 118 Ca 0.39 -1.36 -0.12 0.00 -0.22 0.00 0.00 54.13 52.82 3i22 s LEU 118 Cb 0.19 -1.79 0.13 0.00 0.50 0.00 0.00 46.19 45.22 3i22 s LEU 118 CO 0.31 -0.34 0.44 0.27 -1.32 0.00 0.00 176.35 175.71 3i22 s ILE 119 N 1.29 4.68 0.14 6.68 -4.36 -1.25 -4.98 121.20 123.40 3i22 s ILE 119 Ca -0.02 -1.79 -0.29 0.00 -0.26 0.00 0.00 60.65 58.29 3i22 s ILE 119 Cb -0.20 -4.03 -0.07 0.00 1.25 0.00 0.00 42.46 39.41 3i22 s ILE 119 CO -0.00 -0.84 0.93 0.54 0.24 0.00 0.00 174.94 175.81 3i22 s VAL 120 N 1.29 4.39 -0.08 8.37 0.11 -1.26 -4.54 120.40 128.68 3i22 s VAL 120 Ca 0.06 2.02 -0.02 0.00 -2.93 0.00 0.00 61.98 61.11 3i22 s VAL 120 Cb -0.26 -4.30 0.04 0.00 -1.53 0.00 0.00 36.38 30.33 3i22 s VAL 120 CO -0.00 0.38 0.05 0.68 -3.33 0.00 0.00 175.10 172.88 3i22 s VAL 121 N -0.40 0.08 -0.42 2.04 -7.23 -1.24 -1.58 120.40 111.65 3i22 s VAL 121 Ca 0.44 0.16 -0.27 0.00 -1.81 0.00 0.00 61.98 60.50 3i22 s VAL 121 Cb -0.24 -0.41 -0.06 0.00 0.56 0.00 0.00 36.38 36.24 3i22 s VAL 121 CO 0.30 0.09 2.30 -0.70 -0.31 0.00 0.00 175.10 176.78 3i22 s GLU 122 N 2.08 2.44 -0.16 4.82 2.12 -1.26 -1.18 118.70 127.57 3i22 s GLU 122 Ca 0.04 1.52 -0.05 0.00 0.36 0.00 0.00 54.97 56.83 3i22 s GLU 122 Cb -0.13 -4.50 0.02 0.00 0.26 0.00 0.00 34.13 29.77 3i22 s GLU 122 CO -0.05 -2.89 0.11 1.17 -0.54 0.00 0.00 175.26 173.05 3i22 n LYS 123 N 8.94 -2.88 -3.35 4.30 4.81 -1.26 -4.91 118.16 123.82 3i22 n LYS 123 Ca 0.33 2.36 -0.12 0.00 -0.87 0.00 0.00 58.31 60.01 3i22 n LYS 123 Cb 0.52 -3.88 -0.08 0.00 0.02 0.00 0.00 35.03 31.61 3i22 n LYS 123 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 3i22 s PHE 124 N -0.72 -0.77 0.00 5.64 2.19 -1.26 -5.01 117.98 118.05 3i22 s PHE 124 Ca -0.12 0.15 0.00 0.00 0.33 0.00 0.00 56.93 57.29 3i22 s PHE 124 Cb 0.01 -0.27 0.00 0.00 -1.31 0.00 0.00 43.02 41.45 3i22 s PHE 124 CO 0.54 -0.94 0.00 0.43 1.83 0.00 0.00 175.22 177.08 3i22 n SER 125 N 5.34 0.00 -3.64 6.13 7.64 -1.26 -4.89 113.62 122.94 3i22 n SER 125 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3i22 n SER 125 Cb 0.48 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.70 3i22 n SER 125 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i22 s VAL 126 N 3.64 0.00 0.00 0.44 0.11 -1.26 -5.15 120.40 118.17 3i22 s VAL 126 Ca 0.00 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.72 3i22 s VAL 126 Cb 0.00 -2.93 0.00 0.00 -1.53 0.00 0.00 36.38 31.92 3i22 s VAL 126 CO 0.00 0.00 0.00 -1.84 -3.33 0.00 0.00 175.10 169.93 3i22 n GLU 127 N -0.82 0.00 -2.96 1.54 0.00 -1.26 -4.75 120.64 112.39 3i22 n GLU 127 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 56.97 3i22 n GLU 127 Cb 0.59 0.00 0.06 0.00 0.00 0.00 0.00 31.44 32.09 3i22 n GLU 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i22 s ALA 128 N -3.60 4.53 -0.68 -1.84 0.00 -1.26 -3.98 121.76 114.93 3i22 s ALA 128 Ca 0.00 -1.99 -0.36 0.00 0.00 0.00 0.00 51.96 49.61 3i22 s ALA 128 Cb 0.00 -1.58 -0.18 0.00 0.00 0.00 0.00 23.12 21.36 3i22 s ALA 128 CO 0.00 -0.84 2.39 -2.30 0.00 0.00 0.00 175.76 175.02 3i22 n PRO 129 N -2.26 0.22 -3.40 0.00 -0.02 -1.09 -4.75 135.00 123.70 3i22 n PRO 129 Ca 0.14 0.04 -0.19 0.00 -2.02 0.00 0.00 63.50 61.47 3i22 n PRO 129 Cb 0.61 -1.77 -0.09 0.00 -0.02 0.00 0.00 33.50 32.23 3i22 n PRO 129 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3i22 s LYS 130 N 7.39 0.49 -0.41 -0.52 -0.14 -1.26 -4.94 119.74 120.35 3i22 s LYS 130 Ca 1.24 -0.64 0.02 0.00 -1.36 0.00 0.00 55.97 55.23 3i22 s LYS 130 Cb -1.22 -0.79 0.49 0.00 -1.68 0.00 0.00 37.83 34.63 3i22 s LYS 130 CO 0.54 -1.13 1.82 0.25 -0.76 0.00 0.00 175.35 176.07 3i22 n THR 131 N 4.66 2.92 0.00 2.17 -2.24 -1.26 -2.31 114.28 118.23 3i22 n THR 131 Ca 0.06 -1.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.04 3i22 n THR 131 Cb 0.44 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 3i22 n THR 131 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3i22 n LYS 132 N -0.72 0.42 -0.06 -0.78 4.81 -1.26 -4.71 118.16 115.86 3i22 n LYS 132 Ca 0.49 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.89 3i22 n LYS 132 Cb 1.22 -0.15 -0.01 0.00 0.02 0.00 0.00 35.03 36.11 3i22 n LYS 132 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3i22 h LEU 133 N 0.00 0.00 -1.49 3.14 6.46 -1.95 -2.87 115.31 118.60 3i22 h LEU 133 Ca 0.00 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 3i22 h LEU 133 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 3i22 h LEU 133 CO 0.00 0.68 0.00 0.25 -0.62 0.00 0.00 178.44 178.75 3i22 h LEU 134 N -1.00 0.00 0.05 2.25 5.85 -1.81 -0.25 115.31 120.39 3i22 h LEU 134 Ca -0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3i22 h LEU 134 Cb 0.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3i22 h LEU 134 CO -0.01 0.00 -0.02 0.00 -0.34 0.00 0.00 178.44 178.07 3i22 h ALA 135 N 2.07 -0.07 -0.03 1.25 0.00 -1.69 -2.85 119.26 117.95 3i22 h ALA 135 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3i22 h ALA 135 Cb 0.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3i22 h ALA 135 CO 0.00 -0.09 0.00 1.04 0.00 0.00 0.00 179.25 180.20 3i22 n GLN 136 N -4.76 1.18 -0.07 0.00 1.13 -1.08 -2.64 117.38 111.14 3i22 n GLN 136 Ca -0.06 -0.16 -0.06 0.00 -1.94 0.00 0.00 57.00 54.79 3i22 n GLN 136 Cb 0.26 -1.48 -0.14 0.00 0.11 0.00 0.00 30.24 28.99 3i22 n GLN 136 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 3i22 n LYS 137 N -0.02 1.02 0.09 -1.09 3.00 -0.12 -4.26 118.16 116.79 3i22 n LYS 137 Ca 0.01 -0.04 -0.18 0.00 -0.00 0.00 0.00 58.31 58.11 3i22 n LYS 137 Cb 0.27 -1.45 -0.11 0.00 0.00 0.00 0.00 35.03 33.73 3i22 n LYS 137 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3i22 h LEU 138 N 0.00 0.63 -0.26 3.14 3.38 -1.27 -2.96 115.31 117.97 3i22 h LEU 138 Ca -0.40 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 56.98 3i22 h LEU 138 Cb 1.88 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.42 3i22 h LEU 138 CO 0.02 1.43 0.00 2.29 0.09 0.00 0.00 178.44 182.27 3i22 n LYS 139 N -3.69 0.04 -0.00 1.13 2.85 -1.24 -0.36 118.16 116.89 3i22 n LYS 139 Ca -0.10 0.41 -0.13 0.00 -1.05 0.00 0.00 58.31 57.44 3i22 n LYS 139 Cb 0.97 -1.60 -0.09 0.00 -0.65 0.00 0.00 35.03 33.66 3i22 n LYS 139 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3i22 h ASP 140 N 0.00 0.02 0.79 -5.58 3.45 -1.70 -2.03 116.42 111.38 3i22 h ASP 140 Ca 0.00 -0.35 0.00 0.00 0.43 0.00 0.00 57.03 57.11 3i22 h ASP 140 Cb 0.14 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 3i22 h ASP 140 CO 0.00 0.37 0.00 0.23 -1.57 0.00 0.00 179.24 178.27 3i22 n MET 141 N -4.90 0.05 -2.68 3.56 2.81 -0.24 -4.92 117.12 110.80 3i22 n MET 141 Ca -0.08 0.19 -0.06 0.00 -1.81 0.00 0.00 57.70 55.94 3i22 n MET 141 Cb 0.19 -1.58 0.02 0.00 -0.71 0.00 0.00 33.22 31.15 3i22 n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i22 n ALA 142 N -1.56 -0.38 -2.63 3.04 0.00 0.51 -5.05 120.51 114.43 3i22 n ALA 142 Ca 0.05 0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 3i22 n ALA 142 Cb 0.26 -1.61 -0.09 0.00 0.00 0.00 0.00 19.45 18.01 3i22 n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i22 s LEU 143 N -2.76 3.23 0.46 0.00 1.02 -1.00 -4.95 118.68 114.69 3i22 s LEU 143 Ca 0.12 -0.29 0.03 0.00 0.02 0.00 0.00 54.13 54.00 3i22 s LEU 143 Cb -0.05 -2.00 -0.01 0.00 0.02 0.00 0.00 46.19 44.15 3i22 s LEU 143 CO 0.19 0.18 0.10 -1.83 0.02 0.00 0.00 176.35 175.00 3i22 s GLU 144 N -2.24 2.07 -0.96 1.70 -1.05 -1.26 -4.37 118.70 112.59 3i22 s GLU 144 Ca 0.23 -2.30 -0.25 0.00 -0.15 0.00 0.00 54.97 52.51 3i22 s GLU 144 Cb -0.11 -0.89 0.03 0.00 -0.44 0.00 0.00 34.13 32.72 3i22 s GLU 144 CO 0.16 -0.49 0.55 -0.25 0.95 0.00 0.00 175.26 176.18 3i22 n ASP 145 N -1.39 -3.49 -4.80 0.83 8.00 -1.26 -4.03 116.55 110.42 3i22 n ASP 145 Ca -0.11 -1.05 -0.39 0.00 0.71 0.00 0.00 54.79 53.95 3i22 n ASP 145 Cb 0.65 -1.31 -0.06 0.00 -0.02 0.00 0.00 41.12 40.38 3i22 n ASP 145 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i22 s VAL 146 N -3.62 4.76 -0.15 2.53 1.01 0.13 -2.06 120.40 123.01 3i22 s VAL 146 Ca 0.34 1.22 -0.13 0.00 0.00 0.00 0.00 61.98 63.41 3i22 s VAL 146 Cb -0.19 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 3i22 s VAL 146 CO 0.80 0.54 -0.26 -0.11 0.00 0.00 0.00 175.10 176.07 3i22 n LEU 147 N 1.87 1.74 -0.86 3.92 -0.00 -1.13 -3.15 117.00 119.39 3i22 n LEU 147 Ca -0.10 0.43 0.00 0.00 -0.00 0.00 0.00 56.01 56.34 3i22 n LEU 147 Cb 0.51 -0.77 0.00 0.00 -0.00 0.00 0.00 43.42 43.16 3i22 n LEU 147 CO 0.42 -0.36 0.00 -0.38 -0.00 0.00 0.00 177.39 177.06 3i22 n ILE 148 N -4.35 -1.72 -3.35 1.96 2.08 -1.26 -3.59 119.36 109.12 3i22 n ILE 148 Ca -0.10 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.08 3i22 n ILE 148 Cb 0.38 -2.56 -0.08 0.00 -0.75 0.00 0.00 39.64 36.64 3i22 n ILE 148 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 3i22 s ILE 149 N 0.00 -0.53 0.00 1.39 2.07 -1.23 -3.24 121.20 119.67 3i22 s ILE 149 Ca 0.00 -0.38 0.00 0.00 -1.41 0.00 0.00 60.65 58.86 3i22 s ILE 149 Cb 0.00 -0.99 0.00 0.00 0.13 0.00 0.00 42.46 41.60 3i22 s ILE 149 CO 0.00 -0.37 0.00 0.35 -1.91 0.00 0.00 174.94 173.01 3i22 n THR 150 N 5.33 0.00 0.00 4.00 -2.24 -1.25 -0.32 114.28 119.80 3i22 n THR 150 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3i22 n THR 150 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 3i22 n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i22 n GLY 151 N 5.00 0.35 0.00 3.38 0.00 -1.26 -2.88 105.19 109.78 3i22 n GLY 151 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i22 n GLY 151 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i22 n GLU 152 N -0.68 0.00 -2.05 1.61 2.13 -1.26 -4.62 120.64 115.78 3i22 n GLU 152 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3i22 n GLU 152 Cb 0.00 -0.18 0.00 0.00 0.27 0.00 0.00 31.44 31.53 3i22 n GLU 152 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3i22 n LEU 153 N -0.53 -6.05 -4.78 4.31 0.00 -1.26 -4.95 117.00 103.74 3i22 n LEU 153 Ca 0.00 3.25 -0.37 0.00 0.00 0.00 0.00 56.01 58.89 3i22 n LEU 153 Cb 0.00 -3.13 -0.06 0.00 0.00 0.00 0.00 43.42 40.22 3i22 n LEU 153 CO 0.00 -1.73 0.67 1.51 0.00 0.00 0.00 177.39 177.84 3i22 s ASP 154 N -0.52 7.29 0.00 1.96 1.47 -1.26 -4.92 116.67 120.69 3i22 s ASP 154 Ca 0.00 1.89 -0.05 0.00 1.18 0.00 0.00 52.55 55.57 3i22 s ASP 154 Cb 0.00 -2.59 -0.22 0.00 -0.34 0.00 0.00 42.92 39.77 3i22 s ASP 154 CO 0.00 -0.10 3.20 1.21 0.68 0.00 0.00 175.17 180.15 3i22 n GLU 155 N 0.59 1.73 0.02 2.11 2.13 -1.26 -2.32 120.64 123.63 3i22 n GLU 155 Ca 0.02 -0.83 0.00 0.00 0.66 0.00 0.00 57.16 57.01 3i22 n GLU 155 Cb 0.49 -1.87 0.00 0.00 0.27 0.00 0.00 31.44 30.33 3i22 n GLU 155 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 3i22 n ASN 156 N 2.46 0.06 0.10 4.31 5.15 -1.26 -4.44 115.26 121.65 3i22 n ASN 156 Ca 0.36 0.05 -0.03 0.00 -0.60 0.00 0.00 54.58 54.36 3i22 n ASN 156 Cb 0.80 0.01 0.01 0.00 -0.53 0.00 0.00 39.78 40.07 3i22 n ASN 156 CO 0.00 0.00 0.00 0.17 1.40 0.00 0.00 177.26 178.83 3i22 h LEU 157 N 0.00 0.00 -1.51 1.20 8.10 -1.68 -2.86 115.31 118.56 3i22 h LEU 157 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3i22 h LEU 157 Cb 0.41 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.60 3i22 h LEU 157 CO 0.00 0.76 0.33 0.15 -4.11 0.00 0.00 178.44 175.57 3i22 h PHE 158 N 0.00 0.63 0.00 0.17 3.04 -1.75 0.12 116.94 119.15 3i22 h PHE 158 Ca -0.01 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 3i22 h PHE 158 Cb 1.48 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.78 3i22 h PHE 158 CO 0.00 0.40 0.00 -0.11 -2.02 0.00 0.00 178.31 176.58 3i22 n LEU 159 N -4.46 0.00 0.00 0.59 7.94 -1.13 -4.63 117.00 115.31 3i22 n LEU 159 Ca 0.04 0.29 -0.24 0.00 -1.11 0.00 0.00 56.01 54.99 3i22 n LEU 159 Cb 0.05 -0.29 -0.03 0.00 0.53 0.00 0.00 43.42 43.69 3i22 n LEU 159 CO 0.36 -0.07 -0.07 0.00 -1.11 0.00 0.00 177.39 176.50 3i22 n ALA 160 N -1.29 0.52 -0.79 1.96 0.00 0.40 -4.69 120.51 116.62 3i22 n ALA 160 Ca 0.11 -1.82 0.00 0.00 0.00 0.00 0.00 53.44 51.73 3i22 n ALA 160 Cb 0.18 0.87 0.00 0.00 0.00 0.00 0.00 19.45 20.51 3i22 n ALA 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i22 n ALA 161 N -1.89 0.00 -0.46 0.00 0.00 -1.26 -4.84 120.51 112.06 3i22 n ALA 161 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3i22 n ALA 161 Cb 0.51 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3i22 n ALA 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i22 n ARG 162 N -1.17 0.00 0.00 0.00 1.74 -1.26 -3.84 116.66 112.13 3i22 n ARG 162 Ca 0.00 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 3i22 n ARG 162 Cb 0.16 -0.79 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 3i22 n ARG 162 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i22 n ASN 163 N -1.30 0.00 -4.62 0.55 5.03 -1.26 -4.37 115.26 109.29 3i22 n ASN 163 Ca 0.00 0.13 -0.40 0.00 0.87 0.00 0.00 54.58 55.18 3i22 n ASN 163 Cb 0.00 -0.13 -0.08 0.00 -1.02 0.00 0.00 39.78 38.56 3i22 n ASN 163 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3i22 s LEU 164 N -2.15 4.06 0.00 3.41 1.98 -1.25 -5.03 118.68 119.70 3i22 s LEU 164 Ca 0.00 0.50 0.00 0.00 -2.89 0.00 0.00 54.13 51.74 3i22 s LEU 164 Cb 0.00 -2.65 0.00 0.00 0.66 0.00 0.00 46.19 44.20 3i22 s LEU 164 CO 0.00 -0.29 0.43 1.41 -1.89 0.00 0.00 176.35 176.01 3i22 n HIS 165 N 5.54 0.00 0.40 5.38 8.25 -1.26 -3.65 115.22 129.87 3i22 n HIS 165 Ca -0.04 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.43 3i22 n HIS 165 Cb 0.50 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.67 3i22 n HIS 165 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3i22 n LYS 166 N -0.49 0.20 -4.54 -0.41 4.01 -1.26 -4.52 118.16 111.16 3i22 n LYS 166 Ca 0.00 0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 57.59 3i22 n LYS 166 Cb 0.00 -1.16 -0.15 0.00 -0.51 0.00 0.00 35.03 33.21 3i22 n LYS 166 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3i22 s VAL 167 N -2.00 0.96 0.38 -0.18 0.11 -1.24 0.21 120.40 118.64 3i22 s VAL 167 Ca 0.03 -0.51 0.04 0.00 -2.93 0.00 0.00 61.98 58.61 3i22 s VAL 167 Cb 0.01 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 3i22 s VAL 167 CO 0.02 0.27 0.09 -0.62 -3.33 0.00 0.00 175.10 171.54 3i22 s ASP 168 N -0.22 2.68 -0.58 3.54 2.15 -1.19 -4.63 116.67 118.43 3i22 s ASP 168 Ca 0.03 -1.55 0.03 0.00 0.43 0.00 0.00 52.55 51.50 3i22 s ASP 168 Cb -0.05 0.26 0.14 0.00 -0.30 0.00 0.00 42.92 42.97 3i22 s ASP 168 CO -0.00 -0.79 0.34 0.68 -0.17 0.00 0.00 175.17 175.23 3i22 s VAL 169 N -3.23 2.81 0.37 1.11 -7.23 -1.26 -4.28 120.40 108.68 3i22 s VAL 169 Ca 0.28 -3.52 0.06 0.00 -1.81 0.00 0.00 61.98 56.99 3i22 s VAL 169 Cb 0.05 -2.90 -0.07 0.00 0.56 0.00 0.00 36.38 34.01 3i22 s VAL 169 CO 0.14 -0.86 0.03 -0.13 -0.31 0.00 0.00 175.10 173.97 3i22 s ARG 170 N -0.56 1.82 0.00 4.82 0.52 -1.20 -5.03 118.95 119.31 3i22 s ARG 170 Ca 0.19 -2.02 0.00 0.00 -0.52 0.00 0.00 55.73 53.38 3i22 s ARG 170 Cb -0.20 -1.29 0.00 0.00 0.52 0.00 0.00 34.95 33.97 3i22 s ARG 170 CO -0.04 -0.11 0.00 -0.40 0.02 0.00 0.00 175.30 174.77 3i22 n ASP 171 N -0.84 0.00 0.39 0.23 5.68 -1.26 -3.51 116.55 117.24 3i22 n ASP 171 Ca -0.04 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.10 3i22 n ASP 171 Cb 0.67 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.57 3i22 n ASP 171 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i22 h ALA 172 N 1.07 -1.21 -1.08 2.12 0.00 -1.81 -3.33 119.26 115.02 3i22 h ALA 172 Ca 0.00 -0.22 -0.51 0.00 0.00 0.00 0.00 54.91 54.18 3i22 h ALA 172 Cb 0.00 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 3i22 h ALA 172 CO 0.00 -1.14 1.25 0.95 0.00 0.00 0.00 179.25 180.31 3i22 s THR 173 N -5.09 3.75 0.00 0.00 -4.23 -1.26 -2.80 115.64 106.01 3i22 s THR 173 Ca -0.15 -0.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 3i22 s THR 173 Cb 0.01 -4.73 0.00 0.00 1.34 0.00 0.00 72.50 69.13 3i22 s THR 173 CO 0.44 -1.64 0.00 0.61 -0.54 0.00 0.00 174.62 173.49 3i22 n GLY 174 N 6.58 0.00 3.63 3.99 0.00 -1.25 -5.10 105.19 113.03 3i22 n GLY 174 Ca 0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 3i22 n GLY 174 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i22 s ILE 175 N 0.00 3.73 -0.31 -0.61 1.10 -1.12 -4.62 121.20 119.37 3i22 s ILE 175 Ca 0.00 0.82 0.02 0.00 -0.51 0.00 0.00 60.65 60.97 3i22 s ILE 175 Cb 0.00 -3.75 0.07 0.00 0.15 0.00 0.00 42.46 38.94 3i22 s ILE 175 CO 0.00 -0.32 -0.00 -1.81 -2.11 0.00 0.00 174.94 170.70 3i22 s ASP 176 N 4.16 4.73 0.11 4.50 1.01 -1.26 -4.98 116.67 124.93 3i22 s ASP 176 Ca 0.70 -1.66 0.05 0.00 0.71 0.00 0.00 52.55 52.35 3i22 s ASP 176 Cb -0.24 -1.64 0.26 0.00 1.01 0.00 0.00 42.92 42.31 3i22 s ASP 176 CO 0.29 -0.30 0.99 -2.65 0.21 0.00 0.00 175.17 173.71 3i22 n PRO 177 N 4.44 0.03 -0.03 8.23 -0.02 -1.26 -2.31 135.00 144.08 3i22 n PRO 177 Ca -0.07 0.40 -0.11 0.00 -2.02 0.00 0.00 63.50 61.70 3i22 n PRO 177 Cb 0.42 -1.82 -0.10 0.00 -0.02 0.00 0.00 33.50 31.98 3i22 n PRO 177 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3i22 h VAL 178 N 0.00 1.29 -0.29 -1.45 3.04 -1.95 -3.35 116.25 113.54 3i22 h VAL 178 Ca 0.00 -1.69 -0.11 0.00 -1.01 0.00 0.00 66.70 63.89 3i22 h VAL 178 Cb 0.43 2.31 -0.01 0.00 -2.01 0.00 0.00 31.29 32.01 3i22 h VAL 178 CO 0.00 0.39 -0.29 0.77 -1.01 0.00 0.00 177.57 177.43 3i22 h SER 179 N -0.88 0.61 -0.77 3.17 4.64 -1.87 -2.82 113.55 115.64 3i22 h SER 179 Ca -0.01 -0.23 0.07 0.00 -0.47 0.00 0.00 61.79 61.16 3i22 h SER 179 Cb 0.68 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 62.54 3i22 h SER 179 CO 0.01 0.87 0.45 -0.07 -0.87 0.00 0.00 176.83 177.22 3i22 h LEU 180 N 0.52 0.66 -2.88 5.97 3.38 -1.69 0.24 115.31 121.50 3i22 h LEU 180 Ca 0.07 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3i22 h LEU 180 Cb 0.76 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3i22 h LEU 180 CO 0.06 0.40 0.00 0.00 0.09 0.00 0.00 178.44 178.99 3i22 n ILE 181 N -4.74 1.36 0.29 1.22 0.13 -1.22 -3.99 119.36 112.41 3i22 n ILE 181 Ca 0.11 -1.07 0.07 0.00 -1.10 0.00 0.00 62.75 60.77 3i22 n ILE 181 Cb 0.22 0.33 -0.10 0.00 -0.84 0.00 0.00 39.64 39.25 3i22 n ILE 181 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3i22 n ALA 182 N 1.43 3.11 -2.61 1.51 0.00 0.64 -4.99 120.51 119.61 3i22 n ALA 182 Ca 0.25 -0.37 -0.33 0.00 0.00 0.00 0.00 53.44 52.99 3i22 n ALA 182 Cb 0.74 -0.50 -0.13 0.00 0.00 0.00 0.00 19.45 19.56 3i22 n ALA 182 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3i22 s PHE 183 N -2.71 2.81 -0.11 0.00 0.40 -0.06 -5.02 117.98 113.29 3i22 s PHE 183 Ca -0.01 -0.16 0.29 0.00 -0.60 0.00 0.00 56.93 56.46 3i22 s PHE 183 Cb 0.10 -1.70 0.94 0.00 0.51 0.00 0.00 43.02 42.87 3i22 s PHE 183 CO 0.59 0.18 1.83 0.22 0.70 0.00 0.00 175.22 178.74 3i22 h ASP 184 N 5.53 0.00 -2.08 1.36 1.82 -1.86 -3.41 116.42 117.79 3i22 h ASP 184 Ca -0.44 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 55.89 3i22 h ASP 184 Cb 1.17 0.00 -0.32 0.00 0.68 0.00 0.00 39.33 40.85 3i22 h ASP 184 CO 0.52 0.01 -0.62 -0.54 -1.61 0.00 0.00 179.24 177.00 3i22 s LYS 185 N -3.48 0.34 0.21 0.28 1.02 -0.87 -4.89 119.74 112.35 3i22 s LYS 185 Ca 0.03 -0.10 -0.19 0.00 0.02 0.00 0.00 55.97 55.73 3i22 s LYS 185 Cb 0.07 -0.60 -0.08 0.00 -0.52 0.00 0.00 37.83 36.70 3i22 s LYS 185 CO 0.60 -1.03 0.70 0.54 -0.92 0.00 0.00 175.35 175.24 3i22 s VAL 186 N 2.39 4.61 0.00 3.17 0.11 -1.21 -2.82 120.40 126.65 3i22 s VAL 186 Ca 0.09 1.22 0.00 0.00 -2.93 0.00 0.00 61.98 60.36 3i22 s VAL 186 Cb -0.14 -3.84 0.00 0.00 -1.53 0.00 0.00 36.38 30.87 3i22 s VAL 186 CO -0.32 0.21 0.01 0.52 -3.33 0.00 0.00 175.10 172.18 3i22 n VAL 187 N 0.73 0.00 -1.78 2.04 0.31 -1.26 -3.80 118.33 114.56 3i22 n VAL 187 Ca -0.03 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3i22 n VAL 187 Cb 0.51 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 3i22 n VAL 187 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3i22 n MET 188 N -0.06 -4.60 -3.20 5.55 0.00 -1.14 -4.13 117.12 109.54 3i22 n MET 188 Ca 0.00 3.35 -0.21 0.00 0.00 0.00 0.00 57.70 60.84 3i22 n MET 188 Cb 0.00 -3.50 0.05 0.00 0.00 0.00 0.00 33.22 29.77 3i22 n MET 188 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 3i22 n THR 189 N 1.56 0.00 -0.19 1.12 -2.24 0.57 -3.63 114.28 111.46 3i22 n THR 189 Ca 0.00 -2.01 -0.03 0.00 -2.27 0.00 0.00 64.05 59.74 3i22 n THR 189 Cb 0.00 -0.39 0.08 0.00 -2.10 0.00 0.00 70.33 67.91 3i22 n THR 189 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i22 h ALA 190 N 0.25 0.75 -0.09 6.98 0.00 -1.49 -2.95 119.26 122.69 3i22 h ALA 190 Ca -0.29 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.69 3i22 h ALA 190 Cb 1.26 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 3i22 h ALA 190 CO 0.43 -0.08 -0.31 0.22 0.00 0.00 0.00 179.25 179.51 3i22 h ASP 191 N 0.53 -0.96 -0.70 0.00 -0.00 -1.86 -2.44 116.42 110.99 3i22 h ASP 191 Ca 0.26 0.14 0.14 0.00 -0.00 0.00 0.00 57.03 57.57 3i22 h ASP 191 Cb 0.20 0.40 -0.13 0.00 -0.00 0.00 0.00 39.33 39.80 3i22 h ASP 191 CO -0.20 -0.36 -0.15 0.00 -0.00 0.00 0.00 179.24 178.54 3i22 h ALA 192 N 0.40 0.50 -0.01 -0.78 0.00 -1.38 0.35 119.26 118.35 3i22 h ALA 192 Ca 0.09 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3i22 h ALA 192 Cb 0.54 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3i22 h ALA 192 CO -0.32 -0.42 0.01 0.28 0.00 0.00 0.00 179.25 178.80 3i22 h VAL 193 N 0.01 0.23 0.38 0.00 2.07 -1.46 -1.83 116.25 115.65 3i22 h VAL 193 Ca 0.34 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.84 3i22 h VAL 193 Cb 0.54 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3i22 h VAL 193 CO -0.71 0.00 -0.18 0.11 0.02 0.00 0.00 177.57 176.81 3i22 h LYS 194 N 0.00 -0.49 -0.43 1.57 1.57 -0.89 -0.96 116.57 116.93 3i22 h LYS 194 Ca 0.00 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3i22 h LYS 194 Cb 0.03 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3i22 h LYS 194 CO -0.00 -0.32 -0.01 1.96 -0.57 0.00 0.00 179.45 180.51 3i22 h GLN 195 N -0.93 0.77 0.00 3.15 7.50 -1.63 -1.96 115.11 122.01 3i22 h GLN 195 Ca -0.05 -0.25 0.00 0.00 0.50 0.00 0.00 58.65 58.85 3i22 h GLN 195 Cb 0.39 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.85 3i22 h GLN 195 CO 0.08 0.84 0.00 0.28 -1.50 0.00 0.00 178.83 178.54 3i22 n VAL 196 N -4.40 1.38 0.02 -0.54 0.31 -0.69 0.10 118.33 114.51 3i22 n VAL 196 Ca -0.00 0.47 -0.06 0.00 -0.01 0.00 0.00 64.34 64.74 3i22 n VAL 196 Cb 0.30 -1.42 0.13 0.00 -0.91 0.00 0.00 33.84 31.95 3i22 n VAL 196 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3i22 h GLU 197 N 0.00 0.48 0.00 5.55 4.57 -0.35 -3.28 114.58 121.55 3i22 h GLU 197 Ca 0.00 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 3i22 h GLU 197 Cb 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 3i22 h GLU 197 CO 0.00 0.81 0.00 -1.91 -1.18 0.00 0.00 179.01 176.73 3i22 n GLU 198 N -4.03 -0.81 0.19 1.92 2.13 -0.34 -4.28 120.64 115.42 3i22 n GLU 198 Ca -0.02 -0.51 -0.12 0.00 0.66 0.00 0.00 57.16 57.18 3i22 n GLU 198 Cb 0.51 -0.98 -0.06 0.00 0.27 0.00 0.00 31.44 31.18 3i22 n GLU 198 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 3i22 h MET 199 N 0.00 -0.51 0.00 5.31 4.05 0.59 -2.65 114.93 121.72 3i22 h MET 199 Ca 0.00 0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.45 3i22 h MET 199 Cb 0.04 0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.96 3i22 h MET 199 CO 0.00 -0.21 -0.00 -0.07 0.23 0.00 0.00 176.91 176.85 3i22 h LEU 200 N -1.00 0.00 0.00 3.39 -0.00 -1.81 -3.50 115.31 112.39 3i22 h LEU 200 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 3i22 h LEU 200 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 3i22 h LEU 200 CO 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.53