#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnt s PRO 2 N 0.00 4.40 0.39 3.17 0.04 -1.26 -5.06 135.00 136.69 1xnt s PRO 2 Ca 0.00 0.92 -0.15 0.00 0.04 0.00 0.00 61.00 61.81 1xnt s PRO 2 Cb 0.00 -3.32 0.06 0.00 0.04 0.00 0.00 34.50 31.28 1xnt s PRO 2 CO 0.00 0.42 0.80 -0.85 0.04 0.00 0.00 177.00 177.40 1xnt n GLU 3 N 2.40 1.13 -3.73 4.56 0.28 -1.26 -4.51 120.64 119.51 1xnt n GLU 3 Ca -0.06 -2.21 -0.17 0.00 -0.16 0.00 0.00 57.16 54.56 1xnt n GLU 3 Cb 0.50 2.77 -0.16 0.00 1.43 0.00 0.00 31.44 35.98 1xnt n GLU 3 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1xnt s ILE 4 N -2.10 -0.09 0.16 3.84 1.01 -0.72 -4.26 121.20 119.04 1xnt s ILE 4 Ca 0.16 0.29 0.06 0.00 0.00 0.00 0.00 60.65 61.16 1xnt s ILE 4 Cb -0.05 -0.14 -0.04 0.00 0.01 0.00 0.00 42.46 42.25 1xnt s ILE 4 CO 0.12 0.12 0.07 -0.13 0.00 0.00 0.00 174.94 175.12 1xnt s ARG 5 N 1.54 2.69 0.30 2.79 0.52 -1.26 -3.65 118.95 121.87 1xnt s ARG 5 Ca -0.04 -0.94 -0.09 0.00 -0.52 0.00 0.00 55.73 54.14 1xnt s ARG 5 Cb -0.12 -2.54 -0.07 0.00 0.52 0.00 0.00 34.95 32.74 1xnt s ARG 5 CO -0.04 0.48 0.63 -0.51 0.02 0.00 0.00 175.30 175.88 1xnt s LEU 6 N -2.94 4.04 -0.19 2.53 1.02 -1.26 -2.68 118.68 119.20 1xnt s LEU 6 Ca 0.29 0.95 -0.15 0.00 0.02 0.00 0.00 54.13 55.25 1xnt s LEU 6 Cb -0.10 -3.77 -0.07 0.00 0.02 0.00 0.00 46.19 42.27 1xnt s LEU 6 CO 0.21 -0.20 -0.32 -1.14 0.02 0.00 0.00 176.35 174.92 1xnt n ARG 7 N -0.68 0.50 -3.65 1.70 0.63 -1.10 -4.65 116.66 109.41 1xnt n ARG 7 Ca 0.01 0.20 -0.09 0.00 -0.92 0.00 0.00 57.85 57.05 1xnt n ARG 7 Cb 0.53 -1.36 -0.02 0.00 0.45 0.00 0.00 32.46 32.07 1xnt n ARG 7 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 1xnt s HIS 8 N -2.69 -0.34 -0.99 -0.14 -3.43 -1.26 -5.02 115.29 101.42 1xnt s HIS 8 Ca -0.29 0.02 -0.23 0.00 -0.80 0.00 0.00 55.06 53.75 1xnt s HIS 8 Cb 0.07 0.63 0.05 0.00 -1.43 0.00 0.00 32.58 31.90 1xnt s HIS 8 CO 0.41 -1.01 1.43 0.54 -2.00 0.00 0.00 174.74 174.11 1xnt s VAL 9 N -3.76 3.90 0.10 -5.38 0.11 -1.26 -0.53 120.40 113.58 1xnt s VAL 9 Ca 0.07 -0.64 -0.32 0.00 -2.93 0.00 0.00 61.98 58.16 1xnt s VAL 9 Cb -0.03 -5.04 -0.12 0.00 -1.53 0.00 0.00 36.38 29.65 1xnt s VAL 9 CO -0.03 -1.93 1.59 1.62 -3.33 0.00 0.00 175.10 173.02 1xnt h VAL 10 N 6.72 0.15 -4.01 2.04 3.04 -1.77 -3.43 116.25 119.00 1xnt h VAL 10 Ca 0.15 0.00 -0.69 0.00 -1.01 0.00 0.00 66.70 65.15 1xnt h VAL 10 Cb 1.01 0.15 -0.23 0.00 -2.01 0.00 0.00 31.29 30.22 1xnt h VAL 10 CO 1.41 0.00 -0.85 -0.55 -1.01 0.00 0.00 177.57 176.58 1xnt s SER 11 N -4.62 3.49 -0.04 3.17 0.15 -0.08 -5.01 113.70 110.77 1xnt s SER 11 Ca -0.17 -0.59 0.02 0.00 0.70 0.00 0.00 55.95 55.91 1xnt s SER 11 Cb 0.06 -0.39 0.01 0.00 -1.71 0.00 0.00 66.02 63.99 1xnt s SER 11 CO 0.63 0.22 -0.09 0.00 1.20 0.00 0.00 173.24 175.20 1xnt n SER 13 N 3.52 2.56 0.00 0.00 7.64 0.28 -4.91 113.62 122.71 1xnt n SER 13 Ca -0.20 -2.63 0.00 0.00 1.01 0.00 0.00 58.87 57.05 1xnt n SER 13 Cb 0.53 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1xnt n SER 13 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1xnt n SER 14 N -0.57 0.00 -4.06 6.43 7.64 -1.04 -1.95 113.62 120.08 1xnt n SER 14 Ca 0.19 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.92 1xnt n SER 14 Cb 0.88 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.95 1xnt n SER 14 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1xnt s GLN 15 N 0.00 0.58 0.06 1.43 -0.44 -1.26 -3.86 119.66 116.17 1xnt s GLN 15 Ca 0.00 -0.66 0.02 0.00 -2.50 0.00 0.00 55.36 52.21 1xnt s GLN 15 Cb 0.00 -0.43 -0.04 0.00 -1.64 0.00 0.00 33.01 30.90 1xnt s GLN 15 CO 0.00 0.09 0.12 0.34 0.50 0.00 0.00 175.29 176.35 1xnt s ASP 16 N -1.26 5.83 0.05 6.67 -1.08 -0.23 -2.85 116.67 123.80 1xnt s ASP 16 Ca -0.06 0.10 -0.34 0.00 -0.52 0.00 0.00 52.55 51.74 1xnt s ASP 16 Cb -0.08 -1.66 -0.19 0.00 -1.46 0.00 0.00 42.92 39.53 1xnt s ASP 16 CO 0.01 0.18 1.49 -1.28 0.52 0.00 0.00 175.17 176.09 1xnt h SER 17 N 3.30 -1.03 -0.57 -0.34 0.87 -1.91 0.37 113.55 114.25 1xnt h SER 17 Ca -0.46 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.15 1xnt h SER 17 Cb 1.16 0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 63.36 1xnt h SER 17 CO 0.69 -0.73 0.36 0.71 -0.53 0.00 0.00 176.83 177.33 1xnt h THR 18 N -1.23 1.10 -3.25 2.23 1.35 -1.99 -3.29 112.91 107.84 1xnt h THR 18 Ca -0.12 -0.25 -0.64 0.00 -0.55 0.00 0.00 66.41 64.85 1xnt h THR 18 Cb 0.93 0.31 -0.41 0.00 -1.73 0.00 0.00 68.15 67.26 1xnt h THR 18 CO 0.20 0.13 -0.54 -1.00 -0.25 0.00 0.00 175.52 174.06 1xnt s HIS 19 N -6.14 3.44 0.45 4.73 3.76 -1.16 -5.06 115.29 115.32 1xnt s HIS 19 Ca -0.13 -3.21 0.03 0.00 -0.15 0.00 0.00 55.06 51.60 1xnt s HIS 19 Cb 0.13 -2.83 0.01 0.00 1.11 0.00 0.00 32.58 31.00 1xnt s HIS 19 CO 0.75 -0.65 0.64 0.00 -0.85 0.00 0.00 174.74 174.63 1xnt h ALA 21 N 0.44 1.26 0.00 0.00 0.00 -1.83 -1.25 119.26 117.88 1xnt h ALA 21 Ca -0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xnt h ALA 21 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xnt h ALA 21 CO 0.53 0.06 0.00 1.49 0.00 0.00 0.00 179.25 181.32 1xnt h GLU 22 N 0.00 0.00 0.00 0.00 4.81 -1.93 -0.17 114.58 117.29 1xnt h GLU 22 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xnt h GLU 22 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1xnt h GLU 22 CO 0.01 0.00 0.00 -0.91 -0.73 0.00 0.00 179.01 177.38 1xnt h ASN 23 N 0.00 0.00 0.34 1.04 2.35 -1.46 -0.86 115.58 116.99 1xnt h ASN 23 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1xnt h ASN 23 Cb 0.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1xnt h ASN 23 CO 0.00 0.00 -0.18 -0.07 -1.65 0.00 0.00 177.43 175.53 1xnt h LEU 24 N 0.00 0.00 -2.89 1.61 3.38 -1.23 -0.78 115.31 115.40 1xnt h LEU 24 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xnt h LEU 24 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1xnt h LEU 24 CO 0.00 0.18 -0.00 -0.07 0.09 0.00 0.00 178.44 178.64 1xnt h LEU 25 N 0.00 0.00 -6.12 1.67 -0.00 -1.34 -2.74 115.31 106.78 1xnt h LEU 25 Ca -0.00 0.00 -0.73 0.00 -0.00 0.00 0.00 57.88 57.15 1xnt h LEU 25 Cb 0.41 0.00 -0.33 0.00 -0.00 0.00 0.00 40.66 40.74 1xnt h LEU 25 CO 0.02 0.00 0.38 0.29 -0.00 0.00 0.00 178.44 179.14 1xnt n LYS 26 N -3.21 4.40 0.07 1.13 4.76 -0.30 -4.83 118.16 120.18 1xnt n LYS 26 Ca -0.03 -4.70 0.21 0.00 -2.87 0.00 0.00 58.31 50.92 1xnt n LYS 26 Cb 0.07 -2.40 0.71 0.00 -1.84 0.00 0.00 35.03 31.58 1xnt n LYS 26 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xnt h ALA 27 N 4.11 2.16 -3.09 7.82 0.00 -1.67 -3.11 119.26 125.48 1xnt h ALA 27 Ca 0.33 -0.02 -0.64 0.00 0.00 0.00 0.00 54.91 54.59 1xnt h ALA 27 Cb 0.46 0.03 -0.41 0.00 0.00 0.00 0.00 17.79 17.87 1xnt h ALA 27 CO 1.08 -0.76 -0.51 0.34 0.00 0.00 0.00 179.25 179.40 1xnt s ASP 28 N -4.99 4.94 0.00 0.00 -1.08 -1.26 -4.87 116.67 109.41 1xnt s ASP 28 Ca -0.04 -3.71 0.00 0.00 -0.52 0.00 0.00 52.55 48.29 1xnt s ASP 28 Cb 0.15 -1.68 0.00 0.00 -1.46 0.00 0.00 42.92 39.92 1xnt s ASP 28 CO 0.52 -0.12 0.00 0.35 0.52 0.00 0.00 175.17 176.43 1xnt n THR 29 N 2.21 0.00 0.00 1.71 -2.24 -1.18 -5.09 114.28 109.69 1xnt n THR 29 Ca 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1xnt n THR 29 Cb 0.35 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1xnt n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xnt n TYR 30 N -0.73 0.00 -2.35 4.78 4.11 -1.26 -5.15 117.16 116.57 1xnt n TYR 30 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.64 1xnt n TYR 30 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 39.34 39.38 1xnt n TYR 30 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.86 177.36 1xnt s ARG 31 N -0.85 2.64 0.00 -3.48 3.52 -1.26 -5.09 118.95 114.42 1xnt s ARG 31 Ca 0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 55.73 55.45 1xnt s ARG 31 Cb 0.00 -2.25 0.00 0.00 -1.56 0.00 0.00 34.95 31.14 1xnt s ARG 31 CO 0.00 -0.89 0.00 0.36 -0.81 0.00 0.00 175.30 173.96 1xnt n LYS 32 N -2.68 0.00 -2.85 5.12 0.00 -1.26 -4.74 118.16 111.75 1xnt n LYS 32 Ca 0.06 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.97 1xnt n LYS 32 Cb 0.59 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.56 1xnt n LYS 32 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.40 176.94 1xnt s TRP 33 N -2.50 3.95 -0.11 5.58 -0.00 0.18 -4.40 118.94 121.64 1xnt s TRP 33 Ca 0.00 1.79 -0.05 0.00 -0.00 0.00 0.00 56.10 57.84 1xnt s TRP 33 Cb 0.00 -2.89 0.05 0.00 -0.00 0.00 0.00 33.47 30.63 1xnt s TRP 33 CO 0.00 0.47 0.24 1.03 -0.00 0.00 0.00 176.95 178.68 1xnt s ARG 34 N -1.10 0.17 0.69 5.86 0.52 -1.22 -3.27 118.95 120.60 1xnt s ARG 34 Ca 0.39 0.57 -0.17 0.00 -0.52 0.00 0.00 55.73 56.00 1xnt s ARG 34 Cb -0.25 -0.12 -0.05 0.00 0.52 0.00 0.00 34.95 35.06 1xnt s ARG 34 CO 0.29 -0.20 0.51 0.00 0.02 0.00 0.00 175.30 175.92 1xnt n ALA 35 N 4.56 -1.49 0.30 2.13 0.00 -0.43 -1.07 120.51 124.51 1xnt n ALA 35 Ca -0.20 -0.20 0.16 0.00 0.00 0.00 0.00 53.44 53.21 1xnt n ALA 35 Cb 0.52 -1.84 0.93 0.00 0.00 0.00 0.00 19.45 19.06 1xnt n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnt h ALA 36 N -0.24 1.34 -4.00 0.00 0.00 -1.63 -3.30 119.26 111.42 1xnt h ALA 36 Ca -0.45 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.18 1xnt h ALA 36 Cb 1.36 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 1xnt h ALA 36 CO 0.43 0.04 -0.24 0.36 0.00 0.00 0.00 179.25 179.84 1xnt n LYS 37 N -3.61 0.30 -0.34 0.00 0.00 -1.26 -4.71 118.16 108.54 1xnt n LYS 37 Ca -0.03 -1.70 0.00 0.00 -0.00 0.00 0.00 58.31 56.58 1xnt n LYS 37 Cb 0.13 1.32 0.00 0.00 -0.00 0.00 0.00 35.03 36.47 1xnt n LYS 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xnt n ALA 38 N -1.87 0.00 -3.15 0.58 0.00 -1.26 -4.36 120.51 110.44 1xnt n ALA 38 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 1xnt n ALA 38 Cb 0.31 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.82 1xnt n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnt n GLY 39 N 5.00 -0.12 3.52 0.00 0.00 -1.19 -4.76 105.19 107.64 1xnt n GLY 39 Ca 0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 1xnt n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xnt n GLU 40 N -3.48 0.22 -0.10 1.61 -0.58 -1.26 -4.65 120.64 112.40 1xnt n GLU 40 Ca -0.09 -0.35 -0.13 0.00 -0.42 0.00 0.00 57.16 56.16 1xnt n GLU 40 Cb 0.58 -2.09 -0.05 0.00 -0.57 0.00 0.00 31.44 29.31 1xnt n GLU 40 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1xnt n LYS 41 N 6.82 0.53 -3.66 3.49 4.81 -1.26 -3.05 118.16 125.85 1xnt n LYS 41 Ca 0.59 0.30 -0.06 0.00 -0.87 0.00 0.00 58.31 58.27 1xnt n LYS 41 Cb 0.26 -1.51 -0.07 0.00 0.02 0.00 0.00 35.03 33.73 1xnt n LYS 41 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1xnt s THR 42 N -2.68 -0.61 0.08 3.15 -4.23 -1.26 -1.13 115.64 108.95 1xnt s THR 42 Ca -0.29 0.08 0.08 0.00 -1.18 0.00 0.00 61.69 60.38 1xnt s THR 42 Cb 0.06 -0.82 -0.03 0.00 1.34 0.00 0.00 72.50 73.05 1xnt s THR 42 CO 0.42 0.03 -0.22 0.27 -0.54 0.00 0.00 174.62 174.58 1xnt s ILE 43 N 2.43 1.78 0.03 2.99 -4.36 -0.49 -4.99 121.20 118.61 1xnt s ILE 43 Ca -0.05 -1.42 0.05 0.00 -0.26 0.00 0.00 60.65 58.97 1xnt s ILE 43 Cb -0.11 -1.58 -0.02 0.00 1.25 0.00 0.00 42.46 42.00 1xnt s ILE 43 CO -0.16 0.09 -0.15 -0.44 0.24 0.00 0.00 174.94 174.52 1xnt s SER 44 N -1.59 1.74 -0.21 4.36 0.01 -0.82 -0.36 113.70 116.82 1xnt s SER 44 Ca 0.08 -0.43 -0.05 0.00 1.31 0.00 0.00 55.95 56.86 1xnt s SER 44 Cb -0.10 -0.13 0.11 0.00 0.21 0.00 0.00 66.02 66.11 1xnt s SER 44 CO 0.03 0.07 0.40 0.54 0.41 0.00 0.00 173.24 174.69 1xnt s VAL 45 N -0.75 -0.63 -0.26 3.43 0.11 0.19 1.00 120.40 123.49 1xnt s VAL 45 Ca 0.03 0.09 -0.14 0.00 -2.93 0.00 0.00 61.98 59.03 1xnt s VAL 45 Cb -0.07 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1xnt s VAL 45 CO 0.01 0.00 0.31 -0.69 -3.33 0.00 0.00 175.10 171.40 1xnt s VAL 46 N 2.59 5.23 0.07 2.04 1.01 0.88 -0.15 120.40 132.06 1xnt s VAL 46 Ca 0.04 0.45 0.02 0.00 0.00 0.00 0.00 61.98 62.49 1xnt s VAL 46 Cb -0.13 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1xnt s VAL 46 CO -0.14 0.21 0.11 -0.76 0.00 0.00 0.00 175.10 174.53 1xnt s LEU 47 N 1.80 3.95 0.34 3.92 1.02 0.62 -0.90 118.68 129.43 1xnt s LEU 47 Ca 0.13 0.06 -0.04 0.00 0.02 0.00 0.00 54.13 54.30 1xnt s LEU 47 Cb -0.15 -2.61 -0.05 0.00 0.02 0.00 0.00 46.19 43.40 1xnt s LEU 47 CO 0.09 0.17 0.61 -1.58 0.02 0.00 0.00 176.35 175.67 1xnt s GLN 48 N -2.41 3.60 -0.20 1.70 -0.44 0.31 -0.77 119.66 121.44 1xnt s GLN 48 Ca 0.31 0.00 -0.06 0.00 -2.50 0.00 0.00 55.36 53.11 1xnt s GLN 48 Cb -0.12 -2.58 -0.03 0.00 -1.64 0.00 0.00 33.01 28.63 1xnt s GLN 48 CO 0.23 0.11 0.03 -0.51 0.50 0.00 0.00 175.29 175.65 1xnt s LEU 49 N -3.94 3.44 0.00 3.68 1.43 0.14 -2.71 118.68 120.72 1xnt s LEU 49 Ca 0.44 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1xnt s LEU 49 Cb -0.10 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.24 1xnt s LEU 49 CO 0.34 0.08 0.76 1.21 0.23 0.00 0.00 176.35 178.96 1xnt n GLU 50 N 4.16 0.00 -3.62 1.70 2.13 -1.09 -4.48 120.64 119.44 1xnt n GLU 50 Ca -0.17 0.27 -0.14 0.00 0.66 0.00 0.00 57.16 57.79 1xnt n GLU 50 Cb 0.52 -1.69 -0.07 0.00 0.27 0.00 0.00 31.44 30.47 1xnt n GLU 50 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1xnt s LYS 51 N -2.52 0.81 -0.38 5.31 -2.85 -1.26 -5.01 119.74 113.84 1xnt s LYS 51 Ca 0.00 0.90 -0.29 0.00 -1.00 0.00 0.00 55.97 55.58 1xnt s LYS 51 Cb 0.00 0.39 0.01 0.00 -2.06 0.00 0.00 37.83 36.17 1xnt s LYS 51 CO 0.00 -0.11 1.38 -2.00 0.10 0.00 0.00 175.35 174.72 1xnt s GLU 52 N 0.26 3.67 0.34 1.78 2.12 -1.26 -4.68 118.70 120.93 1xnt s GLU 52 Ca -0.00 1.02 0.00 0.00 0.36 0.00 0.00 54.97 56.36 1xnt s GLU 52 Cb -0.05 -3.98 -0.01 0.00 0.26 0.00 0.00 34.13 30.35 1xnt s GLU 52 CO 0.01 -1.44 0.42 -1.83 -0.54 0.00 0.00 175.26 171.87 1xnt s GLU 53 N 4.72 1.87 0.26 4.30 4.04 0.18 -4.73 118.70 129.34 1xnt s GLU 53 Ca 0.60 -1.84 -0.03 0.00 0.04 0.00 0.00 54.97 53.74 1xnt s GLU 53 Cb -0.14 0.41 0.06 0.00 0.02 0.00 0.00 34.13 34.47 1xnt s GLU 53 CO 0.30 -0.75 0.36 1.04 -1.84 0.00 0.00 175.26 174.36 1xnt n GLN 54 N -0.58 -0.04 -3.70 -4.83 6.02 -1.26 0.16 117.38 113.15 1xnt n GLN 54 Ca 0.03 -0.71 -0.18 0.00 -0.01 0.00 0.00 57.00 56.13 1xnt n GLN 54 Cb 0.62 -0.32 -0.17 0.00 1.02 0.00 0.00 30.24 31.39 1xnt n GLN 54 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xnt s ILE 55 N -1.38 -0.11 -0.06 5.09 1.09 0.12 -4.54 121.20 121.41 1xnt s ILE 55 Ca 0.21 0.36 0.06 0.00 -1.10 0.00 0.00 60.65 60.19 1xnt s ILE 55 Cb -0.01 -0.15 -0.09 0.00 -1.06 0.00 0.00 42.46 41.16 1xnt s ILE 55 CO 0.15 0.15 0.04 1.57 -0.10 0.00 0.00 174.94 176.75 1xnt n HIS 56 N 4.99 0.00 -3.80 3.97 -0.00 -1.08 -4.54 115.22 114.77 1xnt n HIS 56 Ca -0.10 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.98 1xnt n HIS 56 Cb 0.50 -0.31 -0.06 0.00 -0.12 0.00 0.00 29.99 30.00 1xnt n HIS 56 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 1xnt s SER 57 N -3.68 -0.01 0.09 0.26 0.01 -0.41 -0.92 113.70 109.05 1xnt s SER 57 Ca -0.03 -0.57 -0.08 0.00 1.31 0.00 0.00 55.95 56.58 1xnt s SER 57 Cb 0.02 0.40 -0.01 0.00 0.21 0.00 0.00 66.02 66.65 1xnt s SER 57 CO 0.28 -0.79 0.17 -0.69 0.41 0.00 0.00 173.24 172.62 1xnt s VAL 58 N -3.86 0.15 -0.05 3.43 1.01 0.80 -1.25 120.40 120.63 1xnt s VAL 58 Ca 0.06 -1.24 0.02 0.00 0.00 0.00 0.00 61.98 60.82 1xnt s VAL 58 Cb 0.04 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 35.07 1xnt s VAL 58 CO -0.10 -0.67 -0.09 -1.81 0.00 0.00 0.00 175.10 172.43 1xnt s ASP 59 N -2.87 1.34 -0.07 3.32 1.11 0.17 -0.17 116.67 119.51 1xnt s ASP 59 Ca 0.05 -0.21 -0.02 0.00 0.18 0.00 0.00 52.55 52.55 1xnt s ASP 59 Cb 0.05 -0.60 0.03 0.00 1.07 0.00 0.00 42.92 43.48 1xnt s ASP 59 CO -0.11 0.00 0.06 -0.63 1.18 0.00 0.00 175.17 175.67 1xnt s ILE 60 N 0.69 -0.03 -0.32 0.77 -1.09 0.80 -0.19 121.20 121.83 1xnt s ILE 60 Ca -0.12 0.29 -0.25 0.00 -2.23 0.00 0.00 60.65 58.34 1xnt s ILE 60 Cb -0.14 -0.28 0.01 0.00 -1.58 0.00 0.00 42.46 40.47 1xnt s ILE 60 CO 0.02 0.12 0.85 -0.83 -1.23 0.00 0.00 174.94 173.86 1xnt s GLY 61 N 2.13 1.66 -0.28 6.18 0.00 -0.50 0.55 107.32 117.07 1xnt s GLY 61 Ca 0.04 -0.39 -0.27 0.00 0.00 0.00 0.00 44.72 44.10 1xnt s GLY 61 CO -0.04 1.86 0.95 -1.31 0.00 0.00 0.00 173.10 174.56 1xnt s ASN 62 N 1.67 6.90 -1.16 1.64 0.01 0.91 -0.03 114.94 124.88 1xnt s ASN 62 Ca 0.35 1.05 -0.03 0.00 -0.71 0.00 0.00 52.86 53.52 1xnt s ASN 62 Cb -0.13 -2.49 0.23 0.00 0.41 0.00 0.00 41.25 39.27 1xnt s ASN 62 CO 0.14 -0.69 2.05 -0.67 -1.51 0.00 0.00 177.10 176.42 1xnt n ASP 63 N 6.39 7.57 0.00 -1.22 -0.08 -0.42 -1.57 116.55 127.22 1xnt n ASP 63 Ca 0.09 -3.44 0.00 0.00 -1.51 0.00 0.00 54.79 49.92 1xnt n ASP 63 Cb 0.47 -1.26 0.00 0.00 2.34 0.00 0.00 41.12 42.67 1xnt n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xnt n GLY 64 N 0.78 1.41 3.60 0.27 0.00 -0.32 -4.06 105.19 106.86 1xnt n GLY 64 Ca 0.52 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.24 1xnt n GLY 64 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xnt n SER 65 N 0.00 -0.38 0.04 1.61 7.64 -1.26 -4.73 113.62 116.53 1xnt n SER 65 Ca 0.00 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1xnt n SER 65 Cb 0.00 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 61.80 1xnt n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xnt n ALA 66 N -4.37 3.00 -2.81 -0.43 0.00 -1.26 -3.66 120.51 110.99 1xnt n ALA 66 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.16 1xnt n ALA 66 Cb 0.53 0.29 -0.12 0.00 0.00 0.00 0.00 19.45 20.16 1xnt n ALA 66 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1xnt s PHE 67 N -2.00 3.16 -0.25 0.00 0.08 -0.14 0.47 117.98 119.30 1xnt s PHE 67 Ca 0.00 -0.22 0.02 0.00 0.12 0.00 0.00 56.93 56.85 1xnt s PHE 67 Cb 0.00 -2.33 0.06 0.00 -0.57 0.00 0.00 43.02 40.18 1xnt s PHE 67 CO 0.00 -0.30 -0.08 0.08 -0.10 0.00 0.00 175.22 174.82 1xnt s VAL 68 N 1.68 1.92 -0.04 -0.44 1.01 -0.54 0.68 120.40 124.68 1xnt s VAL 68 Ca 0.06 -1.49 -0.02 0.00 0.00 0.00 0.00 61.98 60.54 1xnt s VAL 68 Cb -0.16 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1xnt s VAL 68 CO 0.07 -0.07 0.08 -0.70 0.00 0.00 0.00 175.10 174.48 1xnt s GLU 69 N 1.21 3.11 -0.07 2.72 2.12 -0.33 0.31 118.70 127.77 1xnt s GLU 69 Ca -0.07 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 54.84 1xnt s GLU 69 Cb -0.20 -2.90 0.02 0.00 0.26 0.00 0.00 34.13 31.32 1xnt s GLU 69 CO -0.06 0.68 -0.05 0.08 -0.54 0.00 0.00 175.26 175.38 1xnt s VAL 70 N -1.12 0.65 0.31 3.70 1.01 -0.62 -1.40 120.40 122.94 1xnt s VAL 70 Ca 0.20 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.14 1xnt s VAL 70 Cb -0.12 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1xnt s VAL 70 CO 0.10 0.28 0.11 -0.76 0.00 0.00 0.00 175.10 174.83 1xnt s LEU 71 N 1.37 3.30 0.21 3.92 1.02 -0.34 -1.69 118.68 126.48 1xnt s LEU 71 Ca -0.03 -0.68 0.06 0.00 0.02 0.00 0.00 54.13 53.50 1xnt s LEU 71 Cb -0.13 -1.80 -0.05 0.00 0.02 0.00 0.00 46.19 44.23 1xnt s LEU 71 CO -0.03 -0.19 -0.10 0.68 0.02 0.00 0.00 176.35 176.73 1xnt s VAL 72 N -2.37 1.52 0.00 -1.59 -7.23 -0.13 -1.39 120.40 109.21 1xnt s VAL 72 Ca 0.36 -2.14 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 1xnt s VAL 72 Cb -0.04 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.76 1xnt s VAL 72 CO 0.22 -0.52 0.00 0.61 -0.31 0.00 0.00 175.10 175.10 1xnt n GLY 73 N -0.39 -0.32 3.69 2.32 0.00 -0.90 0.17 105.19 109.75 1xnt n GLY 73 Ca -0.07 -1.03 -0.23 0.00 0.00 0.00 0.00 46.02 44.69 1xnt n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xnt s SER 74 N 0.00 4.82 -0.01 1.61 0.15 -1.26 -1.23 113.70 117.77 1xnt s SER 74 Ca 0.00 -0.50 0.10 0.00 0.70 0.00 0.00 55.95 56.25 1xnt s SER 74 Cb 0.00 -1.01 0.30 0.00 -1.71 0.00 0.00 66.02 63.60 1xnt s SER 74 CO 0.00 0.01 1.22 -0.24 1.20 0.00 0.00 173.24 175.43 1xnt n SER 75 N -0.79 1.96 -4.65 5.45 2.88 -1.26 -4.84 113.62 112.36 1xnt n SER 75 Ca -0.07 -2.06 -0.46 0.00 -1.33 0.00 0.00 58.87 54.95 1xnt n SER 75 Cb 0.58 -0.27 -0.04 0.00 -0.75 0.00 0.00 64.21 63.73 1xnt n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xnt n ALA 76 N 0.45 1.17 -1.66 -1.46 0.00 -1.26 -4.83 120.51 112.92 1xnt n ALA 76 Ca 0.11 0.19 -0.39 0.00 0.00 0.00 0.00 53.44 53.35 1xnt n ALA 76 Cb 0.33 -2.60 -0.03 0.00 0.00 0.00 0.00 19.45 17.16 1xnt n ALA 76 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xnt s GLY 77 N 4.84 0.03 0.00 0.00 0.00 -1.26 -3.32 107.32 107.62 1xnt s GLY 77 Ca 0.94 0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.88 1xnt s GLY 77 CO 0.47 3.89 0.00 0.61 0.00 0.00 0.00 173.10 178.08 1xnt n GLY 78 N 5.85 0.67 0.12 0.20 0.00 -1.26 -4.99 105.19 105.78 1xnt n GLY 78 Ca 0.32 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 1xnt n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnt n ALA 79 N 0.00 0.95 0.00 4.61 0.00 -1.21 -5.10 120.51 119.76 1xnt n ALA 79 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1xnt n ALA 79 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1xnt n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnt n GLY 80 N 1.63 -2.40 1.87 0.00 0.00 -1.26 -4.47 105.19 100.55 1xnt n GLY 80 Ca -0.38 -2.07 -0.07 0.00 0.00 0.00 0.00 46.02 43.50 1xnt n GLY 80 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xnt n GLU 81 N -0.00 3.17 -0.53 1.61 0.28 -1.26 -4.06 120.64 119.85 1xnt n GLU 81 Ca 0.00 -2.61 0.04 0.00 -0.16 0.00 0.00 57.16 54.43 1xnt n GLU 81 Cb 0.00 -2.07 0.05 0.00 1.43 0.00 0.00 31.44 30.85 1xnt n GLU 81 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1xnt n GLN 82 N -0.19 0.45 -2.55 3.44 6.02 -1.26 -4.82 117.38 118.47 1xnt n GLN 82 Ca 0.37 -1.72 -0.13 0.00 -0.01 0.00 0.00 57.00 55.51 1xnt n GLN 82 Cb 1.28 -0.77 0.03 0.00 1.02 0.00 0.00 30.24 31.79 1xnt n GLN 82 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1xnt n ASP 83 N -0.39 2.86 -3.39 1.08 2.03 -1.26 -5.08 116.55 112.40 1xnt n ASP 83 Ca 0.06 -2.93 -0.15 0.00 0.52 0.00 0.00 54.79 52.30 1xnt n ASP 83 Cb 0.75 -0.46 0.08 0.00 -0.72 0.00 0.00 41.12 40.77 1xnt n ASP 83 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1xnt n TYR 84 N -0.43 -3.37 -4.94 -0.67 4.02 -1.26 -4.91 117.16 105.59 1xnt n TYR 84 Ca 0.22 -0.94 -0.29 0.00 -0.01 0.00 0.00 57.90 56.88 1xnt n TYR 84 Cb 0.81 -0.48 -0.17 0.00 -0.02 0.00 0.00 39.34 39.48 1xnt n TYR 84 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1xnt s GLU 85 N -4.20 2.50 -0.94 -0.72 0.41 0.13 -4.90 118.70 110.98 1xnt s GLU 85 Ca 0.41 -0.69 -0.26 0.00 -0.41 0.00 0.00 54.97 54.02 1xnt s GLU 85 Cb -0.02 -1.95 -0.14 0.00 -1.78 0.00 0.00 34.13 30.24 1xnt s GLU 85 CO 0.27 0.11 2.19 0.08 -0.49 0.00 0.00 175.26 177.42 1xnt s VAL 86 N 0.50 3.16 0.06 2.63 1.01 -1.26 -0.96 120.40 125.54 1xnt s VAL 86 Ca -0.17 -0.19 -0.37 0.00 0.00 0.00 0.00 61.98 61.25 1xnt s VAL 86 Cb -0.17 -3.66 -0.20 0.00 0.00 0.00 0.00 36.38 32.35 1xnt s VAL 86 CO 0.06 -0.31 1.58 0.25 0.00 0.00 0.00 175.10 176.68 1xnt h LEU 87 N 21.12 -1.14 -7.47 3.92 5.85 -1.82 -3.41 115.31 132.35 1xnt h LEU 87 Ca 0.05 0.05 -0.42 0.00 0.84 0.00 0.00 57.88 58.39 1xnt h LEU 87 Cb 0.99 0.31 -0.38 0.00 0.37 0.00 0.00 40.66 41.95 1xnt h LEU 87 CO 1.07 -0.78 -0.76 -1.48 -0.34 0.00 0.00 178.44 176.15 1xnt s LEU 88 N -10.01 0.58 0.00 2.25 0.05 -0.68 -1.11 118.68 109.76 1xnt s LEU 88 Ca -0.20 -0.05 -0.16 0.00 0.05 0.00 0.00 54.13 53.77 1xnt s LEU 88 Cb 0.02 -0.38 0.25 0.00 -2.05 0.00 0.00 46.19 44.04 1xnt s LEU 88 CO 0.60 -0.19 0.57 1.33 -0.55 0.00 0.00 176.35 178.11 1xnt n VAL 89 N 5.06 0.00 -2.06 1.48 0.24 -1.26 -1.58 118.33 120.20 1xnt n VAL 89 Ca -0.08 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.80 1xnt n VAL 89 Cb 0.50 -0.65 -0.03 0.00 -1.47 0.00 0.00 33.84 32.20 1xnt n VAL 89 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1xnt s THR 90 N -2.05 2.91 -0.31 3.34 -1.32 -1.26 -4.23 115.64 112.72 1xnt s THR 90 Ca 0.44 0.69 -0.13 0.00 -1.21 0.00 0.00 61.69 61.48 1xnt s THR 90 Cb -0.08 -3.44 -0.03 0.00 -1.51 0.00 0.00 72.50 67.44 1xnt s THR 90 CO 0.37 0.07 0.25 -0.94 -2.21 0.00 0.00 174.62 172.16 1xnt s SER 91 N 0.84 6.07 -1.10 8.08 1.04 0.15 -4.67 113.70 124.11 1xnt s SER 91 Ca 0.64 -0.18 -0.18 0.00 0.48 0.00 0.00 55.95 56.71 1xnt s SER 91 Cb -0.40 -2.14 -0.06 0.00 0.10 0.00 0.00 66.02 63.51 1xnt s SER 91 CO 0.35 -0.17 2.09 -1.54 0.98 0.00 0.00 173.24 174.95 1xnt n SER 92 N 5.14 3.35 0.44 7.02 3.41 -1.23 -1.47 113.62 130.29 1xnt n SER 92 Ca -0.12 -2.74 -0.19 0.00 -0.26 0.00 0.00 58.87 55.56 1xnt n SER 92 Cb 0.51 -1.37 -0.09 0.00 -0.26 0.00 0.00 64.21 62.99 1xnt n SER 92 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1xnt h PHE 93 N 6.92 -1.09 -4.77 7.33 3.57 -0.29 -3.46 116.94 125.16 1xnt h PHE 93 Ca 0.50 -0.02 -0.49 0.00 3.53 0.00 0.00 57.97 61.49 1xnt h PHE 93 Cb 0.63 0.37 -0.09 0.00 2.79 0.00 0.00 35.95 39.64 1xnt h PHE 93 CO 1.38 -0.66 -0.36 -1.33 -2.23 0.00 0.00 178.31 175.11 1xnt n MET 94 N -5.58 1.05 -3.95 1.11 2.81 -1.23 -5.03 117.12 106.30 1xnt n MET 94 Ca -0.15 -2.76 -0.27 0.00 -1.81 0.00 0.00 57.70 52.71 1xnt n MET 94 Cb 0.46 0.79 -0.01 0.00 -0.71 0.00 0.00 33.22 33.75 1xnt n MET 94 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1xnt n SER 95 N -1.26 2.85 -0.53 7.83 3.41 -1.26 -4.51 113.62 120.15 1xnt n SER 95 Ca -0.15 -2.91 0.03 0.00 -0.26 0.00 0.00 58.87 55.58 1xnt n SER 95 Cb 0.48 0.04 0.10 0.00 -0.26 0.00 0.00 64.21 64.58 1xnt n SER 95 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1xnt n PRO 96 N -1.64 1.67 0.00 4.33 -0.04 -1.26 -3.59 135.00 134.47 1xnt n PRO 96 Ca -0.06 -0.84 0.00 0.00 -0.04 0.00 0.00 63.50 62.56 1xnt n PRO 96 Cb 0.61 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 1xnt n PRO 96 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xnt n SER 97 N 0.17 0.40 0.00 3.54 3.41 -1.26 -4.68 113.62 115.20 1xnt n SER 97 Ca 0.08 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.78 1xnt n SER 97 Cb 0.27 0.00 0.46 0.00 -0.26 0.00 0.00 64.21 64.67 1xnt n SER 97 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1xnt n GLU 98 N -2.93 0.17 0.17 4.33 0.28 -1.26 -2.84 120.64 118.57 1xnt n GLU 98 Ca 0.00 0.13 0.10 0.00 -0.16 0.00 0.00 57.16 57.23 1xnt n GLU 98 Cb 0.48 -1.50 0.10 0.00 1.43 0.00 0.00 31.44 31.95 1xnt n GLU 98 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1xnt h SER 99 N 0.00 0.00 0.00 -1.84 4.64 -1.78 -2.92 113.55 111.65 1xnt h SER 99 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xnt h SER 99 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1xnt h SER 99 CO 0.00 0.07 0.00 0.54 -0.87 0.00 0.00 176.83 176.57 1xnt n ARG 100 N -2.99 0.00 -2.36 4.77 5.12 -1.13 -4.58 116.66 115.49 1xnt n ARG 100 Ca 0.02 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.92 1xnt n ARG 100 Cb 0.57 -0.33 0.10 0.00 -1.16 0.00 0.00 32.46 31.63 1xnt n ARG 100 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1xnt n SER 101 N -0.18 -1.27 -0.03 0.55 2.88 -1.26 -4.72 113.62 109.59 1xnt n SER 101 Ca 0.00 -2.06 0.01 0.00 -1.33 0.00 0.00 58.87 55.49 1xnt n SER 101 Cb 0.00 0.58 -0.09 0.00 -0.75 0.00 0.00 64.21 63.95 1xnt n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xnt n GLY 102 N -1.24 -0.53 3.23 0.46 0.00 -1.26 -5.00 105.19 100.85 1xnt n GLY 102 Ca -0.17 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.65 1xnt n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnt s SER 103 N -3.75 -0.27 -0.73 1.61 0.01 -1.26 -5.03 113.70 104.28 1xnt s SER 103 Ca -0.05 0.31 -0.10 0.00 1.31 0.00 0.00 55.95 57.42 1xnt s SER 103 Cb 0.06 1.29 0.02 0.00 0.21 0.00 0.00 66.02 67.59 1xnt s SER 103 CO 0.46 -0.05 0.62 -0.46 0.41 0.00 0.00 173.24 174.22 1xnt n ASN 104 N 4.93 -5.06 0.07 2.44 6.94 -1.26 -4.48 115.26 118.84 1xnt n ASN 104 Ca -0.08 -0.75 -0.07 0.00 -0.02 0.00 0.00 54.58 53.67 1xnt n ASN 104 Cb 0.54 -1.72 -0.09 0.00 -2.36 0.00 0.00 39.78 36.15 1xnt n ASN 104 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1xnt h PRO 105 N 0.35 0.01 -4.19 -0.53 0.13 -1.76 -3.42 132.00 122.59 1xnt h PRO 105 Ca -0.61 -0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 63.93 1xnt h PRO 105 Cb 1.40 0.01 -0.38 0.00 0.13 0.00 0.00 31.00 32.15 1xnt h PRO 105 CO 0.33 0.97 -0.79 -0.80 -0.23 0.00 0.00 178.00 177.48 1xnt s ASN 106 N -6.74 3.29 0.00 1.44 0.02 -1.26 -1.17 114.94 110.52 1xnt s ASN 106 Ca 0.01 -0.90 0.00 0.00 -1.02 0.00 0.00 52.86 50.94 1xnt s ASN 106 Cb 0.10 -1.00 0.00 0.00 0.02 0.00 0.00 41.25 40.37 1xnt s ASN 106 CO 0.82 -0.22 0.00 0.54 0.02 0.00 0.00 177.10 178.26 1xnt n ARG 107 N 4.80 0.00 -4.49 -0.60 5.12 -0.61 -4.96 116.66 115.92 1xnt n ARG 107 Ca -0.12 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.56 1xnt n ARG 107 Cb 0.46 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.66 1xnt n ARG 107 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1xnt s VAL 108 N -1.84 2.19 -0.11 1.55 1.01 -1.26 -0.06 120.40 121.89 1xnt s VAL 108 Ca 0.00 -2.26 -0.05 0.00 0.00 0.00 0.00 61.98 59.68 1xnt s VAL 108 Cb 0.00 -2.47 0.05 0.00 0.00 0.00 0.00 36.38 33.97 1xnt s VAL 108 CO 0.00 -0.31 0.23 -0.60 0.00 0.00 0.00 175.10 174.43 1xnt s ARG 109 N -3.60 0.15 0.16 2.72 6.06 0.19 -4.72 118.95 119.91 1xnt s ARG 109 Ca 0.31 0.61 0.07 0.00 -2.50 0.00 0.00 55.73 54.21 1xnt s ARG 109 Cb 0.00 -0.11 -0.04 0.00 0.06 0.00 0.00 34.95 34.86 1xnt s ARG 109 CO 0.15 -0.23 0.02 -1.64 -2.50 0.00 0.00 175.30 171.09 1xnt s MET 110 N 1.87 2.48 0.19 5.12 -1.94 -1.26 -0.14 119.30 125.61 1xnt s MET 110 Ca -0.03 -1.04 0.08 0.00 -1.71 0.00 0.00 55.69 52.99 1xnt s MET 110 Cb -0.11 -2.42 -0.04 0.00 2.01 0.00 0.00 34.83 34.27 1xnt s MET 110 CO -0.08 0.47 -0.16 -0.06 -0.01 0.00 0.00 175.02 175.18 1xnt s PHE 111 N -1.67 1.74 0.00 -0.03 0.40 0.76 -4.95 117.98 114.23 1xnt s PHE 111 Ca 0.28 -0.53 0.00 0.00 -0.60 0.00 0.00 56.93 56.08 1xnt s PHE 111 Cb -0.10 -0.83 0.00 0.00 0.51 0.00 0.00 43.02 42.60 1xnt s PHE 111 CO 0.19 0.35 0.00 0.41 0.70 0.00 0.00 175.22 176.87 1xnt n GLY 112 N -0.11 5.26 0.19 4.36 0.00 -1.26 -0.14 105.19 113.48 1xnt n GLY 112 Ca -0.10 -1.46 -0.17 0.00 0.00 0.00 0.00 46.02 44.29 1xnt n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xnt h PRO 113 N 0.00 0.60 0.00 1.61 0.13 -1.38 -3.19 132.00 129.77 1xnt h PRO 113 Ca 0.00 -0.60 -0.05 0.00 -0.87 0.00 0.00 66.00 64.48 1xnt h PRO 113 Cb 0.00 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 1xnt h PRO 113 CO 0.00 1.21 -0.25 0.22 -0.23 0.00 0.00 178.00 178.95 1xnt h ASP 114 N 0.36 0.00 -0.12 1.44 3.58 -1.97 -1.62 116.42 118.10 1xnt h ASP 114 Ca -0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1xnt h ASP 114 Cb 1.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.62 1xnt h ASP 114 CO 0.18 0.25 0.00 0.29 -2.88 0.00 0.00 179.24 177.08 1xnt n LYS 115 N -4.12 1.66 -4.93 0.28 4.01 -1.21 -4.85 118.16 109.00 1xnt n LYS 115 Ca -0.02 -0.99 -0.26 0.00 -0.51 0.00 0.00 58.31 56.53 1xnt n LYS 115 Cb 0.31 -1.41 -0.16 0.00 -0.51 0.00 0.00 35.03 33.27 1xnt n LYS 115 CO 0.00 0.00 0.00 -0.48 -1.11 0.00 0.00 177.40 175.81 1xnt s LEU 116 N -1.67 2.03 0.25 -0.35 0.05 -0.61 -4.03 118.68 114.34 1xnt s LEU 116 Ca 0.34 -0.35 -0.31 0.00 0.05 0.00 0.00 54.13 53.86 1xnt s LEU 116 Cb 0.18 -0.99 -0.11 0.00 -2.05 0.00 0.00 46.19 43.21 1xnt s LEU 116 CO 0.28 0.23 1.65 0.54 -0.55 0.00 0.00 176.35 178.50 1xnt s VAL 117 N -0.43 2.09 0.16 1.48 0.11 -0.27 -4.83 120.40 118.71 1xnt s VAL 117 Ca 0.07 0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 59.18 1xnt s VAL 117 Cb -0.08 -3.04 -0.14 0.00 -1.53 0.00 0.00 36.38 31.59 1xnt s VAL 117 CO -0.01 0.01 1.38 0.03 -3.33 0.00 0.00 175.10 173.19 1xnt h ARG 118 N 5.79 0.34 0.00 1.54 -0.00 -1.93 0.83 114.38 120.95 1xnt h ARG 118 Ca -0.45 -0.33 -0.00 0.00 -0.50 0.00 0.00 59.98 58.70 1xnt h ARG 118 Cb 1.21 0.08 -0.00 0.00 0.00 0.00 0.00 29.97 31.26 1xnt h ARG 118 CO 0.87 1.00 -0.00 0.00 0.00 0.00 0.00 179.97 181.83 1xnt h ALA 119 N 0.90 1.02 0.00 0.04 0.00 -2.00 -3.07 119.26 116.15 1xnt h ALA 119 Ca -0.05 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1xnt h ALA 119 Cb 1.43 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1xnt h ALA 119 CO 0.14 0.01 -1.18 0.00 0.00 0.00 0.00 179.25 178.21 1xnt n ALA 120 N -2.09 2.55 -0.34 0.00 0.00 -1.14 -4.60 120.51 114.89 1xnt n ALA 120 Ca -0.02 -0.13 0.19 0.00 0.00 0.00 0.00 53.44 53.48 1xnt n ALA 120 Cb 0.15 0.45 0.43 0.00 0.00 0.00 0.00 19.45 20.48 1xnt n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnt h ALA 121 N -0.09 1.95 -0.01 0.00 0.00 0.60 0.82 119.26 122.53 1xnt h ALA 121 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xnt h ALA 121 Cb 1.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1xnt h ALA 121 CO -0.04 -0.39 0.00 -0.85 0.00 0.00 0.00 179.25 177.97 1xnt n GLU 122 N -4.77 1.08 -3.52 0.00 -0.00 -1.16 -0.70 120.64 111.58 1xnt n GLU 122 Ca 0.26 -0.12 -0.37 0.00 -0.00 0.00 0.00 57.16 56.92 1xnt n GLU 122 Cb 0.78 -1.38 -0.06 0.00 -0.00 0.00 0.00 31.44 30.77 1xnt n GLU 122 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1xnt s LYS 123 N -1.99 4.06 -0.23 3.44 1.02 0.29 -4.84 119.74 121.48 1xnt s LYS 123 Ca 0.36 0.26 -0.29 0.00 0.02 0.00 0.00 55.97 56.33 1xnt s LYS 123 Cb 0.17 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 34.12 1xnt s LYS 123 CO 0.28 0.46 1.81 1.03 -0.92 0.00 0.00 175.35 178.01 1xnt s ARG 124 N -0.27 3.56 0.33 1.68 0.52 -1.26 -4.27 118.95 119.25 1xnt s ARG 124 Ca 0.21 1.74 0.09 0.00 -0.52 0.00 0.00 55.73 57.25 1xnt s ARG 124 Cb -0.15 -4.16 -0.06 0.00 0.52 0.00 0.00 34.95 31.11 1xnt s ARG 124 CO 0.09 -1.59 -0.02 -1.58 0.02 0.00 0.00 175.30 172.22 1xnt s TRP 125 N 6.23 2.51 0.00 -0.53 0.52 0.12 -4.70 118.94 123.10 1xnt s TRP 125 Ca 0.81 -0.43 0.00 0.00 0.02 0.00 0.00 56.10 56.50 1xnt s TRP 125 Cb -0.27 -1.43 0.00 0.00 -1.15 0.00 0.00 33.47 30.62 1xnt s TRP 125 CO 0.33 0.52 0.55 -0.40 0.02 0.00 0.00 176.95 177.97 1xnt n ASP 126 N -0.90 0.27 -3.87 2.95 5.75 -0.56 -0.64 116.55 119.54 1xnt n ASP 126 Ca -0.04 -1.13 -0.11 0.00 -0.01 0.00 0.00 54.79 53.49 1xnt n ASP 126 Cb 0.62 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.60 1xnt n ASP 126 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1xnt s ARG 127 N -0.13 0.29 0.01 0.11 0.52 -0.36 0.23 118.95 119.62 1xnt s ARG 127 Ca 0.00 -0.18 0.02 0.00 -0.52 0.00 0.00 55.73 55.05 1xnt s ARG 127 Cb 0.00 0.12 -0.01 0.00 0.52 0.00 0.00 34.95 35.58 1xnt s ARG 127 CO 0.00 -0.06 -0.07 0.54 0.02 0.00 0.00 175.30 175.73 1xnt s VAL 128 N -0.73 0.52 -0.29 3.52 0.11 0.05 -2.12 120.40 121.46 1xnt s VAL 128 Ca -0.08 -0.55 -0.07 0.00 -2.93 0.00 0.00 61.98 58.35 1xnt s VAL 128 Cb -0.05 -0.49 0.00 0.00 -1.53 0.00 0.00 36.38 34.32 1xnt s VAL 128 CO 0.00 -0.04 0.08 -0.75 -3.33 0.00 0.00 175.10 171.07 1xnt s LYS 129 N -0.64 3.18 -0.28 1.54 2.20 -0.48 -0.27 119.74 124.99 1xnt s LYS 129 Ca -0.02 -0.80 -0.08 0.00 -0.36 0.00 0.00 55.97 54.71 1xnt s LYS 129 Cb -0.05 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.87 1xnt s LYS 129 CO 0.00 -0.41 0.11 0.42 -0.36 0.00 0.00 175.35 175.11 1xnt s ILE 130 N 1.52 4.43 -0.17 5.43 -1.09 0.78 -1.20 121.20 130.91 1xnt s ILE 130 Ca 0.03 -0.32 0.00 0.00 -2.23 0.00 0.00 60.65 58.14 1xnt s ILE 130 Cb -0.17 -3.18 0.03 0.00 -1.58 0.00 0.00 42.46 37.57 1xnt s ILE 130 CO 0.03 0.19 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.12 1xnt s VAL 131 N 1.61 1.54 0.17 2.92 1.01 -0.50 0.58 120.40 127.73 1xnt s VAL 131 Ca 0.05 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 1xnt s VAL 131 Cb -0.16 -1.52 -0.07 0.00 0.00 0.00 0.00 36.38 34.63 1xnt s VAL 131 CO 0.05 0.33 0.48 0.00 0.00 0.00 0.00 175.10 175.96 1xnt s SER 133 N -2.21 -0.01 0.00 0.00 0.01 0.21 -1.39 113.70 110.32 1xnt s SER 133 Ca 0.42 0.67 0.00 0.00 1.31 0.00 0.00 55.95 58.35 1xnt s SER 133 Cb -0.12 0.72 0.00 0.00 0.21 0.00 0.00 66.02 66.83 1xnt s SER 133 CO 0.21 -0.21 0.00 1.67 0.41 0.00 0.00 173.24 175.32 1xnt n GLN 134 N 4.92 0.00 -2.81 12.44 0.00 -0.29 -0.97 117.38 130.67 1xnt n GLN 134 Ca -0.14 0.00 -0.43 0.00 -0.00 0.00 0.00 57.00 56.43 1xnt n GLN 134 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.72 1xnt n GLN 134 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1xnt s PRO 135 N -0.87 3.21 0.00 3.69 0.04 -1.23 -4.11 135.00 135.73 1xnt s PRO 135 Ca 0.00 -0.90 0.00 0.00 0.04 0.00 0.00 61.00 60.14 1xnt s PRO 135 Cb 0.00 -4.37 0.00 0.00 0.04 0.00 0.00 34.50 30.17 1xnt s PRO 135 CO 0.00 -1.87 0.40 2.48 0.04 0.00 0.00 177.00 178.05 1xnt n TYR 136 N 7.83 0.00 -4.05 0.56 0.18 -1.17 -4.95 117.16 115.56 1xnt n TYR 136 Ca 0.02 -0.08 -0.02 0.00 1.88 0.00 0.00 57.90 59.70 1xnt n TYR 136 Cb 0.47 -0.01 -0.01 0.00 -0.38 0.00 0.00 39.34 39.41 1xnt n TYR 136 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 1xnt n SER 137 N -0.08 0.96 0.00 9.48 2.88 -1.26 -4.91 113.62 120.69 1xnt n SER 137 Ca 0.00 -1.21 0.00 0.00 -1.33 0.00 0.00 58.87 56.33 1xnt n SER 137 Cb 0.20 0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 1xnt n SER 137 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1xnt n LYS 138 N -0.09 0.00 -0.04 -1.46 4.81 -1.26 -4.22 118.16 115.91 1xnt n LYS 138 Ca -0.01 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 1xnt n LYS 138 Cb 0.06 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.07 1xnt n LYS 138 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1xnt n ASP 139 N -1.13 3.36 -4.81 3.14 5.75 -1.26 -3.16 116.55 118.45 1xnt n ASP 139 Ca 0.00 -0.03 -0.34 0.00 -0.01 0.00 0.00 54.79 54.41 1xnt n ASP 139 Cb 0.00 0.17 -0.07 0.00 -1.03 0.00 0.00 41.12 40.19 1xnt n ASP 139 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1xnt s SER 140 N -4.43 5.89 0.75 -1.12 1.04 -1.26 -4.56 113.70 110.00 1xnt s SER 140 Ca -0.08 0.25 -0.06 0.00 0.48 0.00 0.00 55.95 56.54 1xnt s SER 140 Cb 0.03 -1.77 0.11 0.00 0.10 0.00 0.00 66.02 64.49 1xnt s SER 140 CO 0.22 0.32 1.05 -2.16 0.98 0.00 0.00 173.24 173.65 1xnt s PRO 141 N -1.49 1.71 0.00 4.02 0.04 -1.26 -4.16 135.00 133.86 1xnt s PRO 141 Ca 0.20 -0.65 0.00 0.00 0.04 0.00 0.00 61.00 60.59 1xnt s PRO 141 Cb -0.12 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1xnt s PRO 141 CO 0.11 -1.52 0.00 1.19 0.04 0.00 0.00 177.00 176.82 1xnt n PHE 142 N -3.01 -0.01 0.00 0.56 3.72 -1.26 -4.87 117.46 112.59 1xnt n PHE 142 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 1xnt n PHE 142 Cb 0.60 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 1xnt n PHE 142 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xnt n GLY 143 N 0.00 -0.64 3.56 1.37 0.00 -1.24 -1.31 105.19 106.93 1xnt n GLY 143 Ca 0.00 0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1xnt n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xnt s LEU 144 N 0.00 3.03 0.15 0.99 1.02 -1.20 -1.30 118.68 121.37 1xnt s LEU 144 Ca 0.00 -0.23 0.09 0.00 0.02 0.00 0.00 54.13 54.01 1xnt s LEU 144 Cb 0.00 -1.76 -0.14 0.00 0.02 0.00 0.00 46.19 44.31 1xnt s LEU 144 CO 0.00 0.27 1.29 0.28 0.02 0.00 0.00 176.35 178.21 1xnt h SER 145 N 4.44 0.00 -5.88 2.29 0.02 -0.73 0.53 113.55 114.22 1xnt h SER 145 Ca -0.48 0.00 0.36 0.00 -0.84 0.00 0.00 61.79 60.83 1xnt h SER 145 Cb 1.16 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.60 1xnt h SER 145 CO 0.52 0.87 0.92 0.72 -1.14 0.00 0.00 176.83 178.73 1xnt s PHE 146 N -2.77 -0.00 -0.16 3.45 -0.12 -1.25 -4.48 117.98 112.65 1xnt s PHE 146 Ca 0.01 -0.07 -0.09 0.00 -0.05 0.00 0.00 56.93 56.74 1xnt s PHE 146 Cb 0.09 0.53 0.06 0.00 -0.63 0.00 0.00 43.02 43.07 1xnt s PHE 146 CO 0.80 -0.17 0.38 0.14 -0.05 0.00 0.00 175.22 176.32 1xnt s VAL 147 N -2.13 -0.03 -0.21 -2.49 -7.23 -1.26 -1.41 120.40 105.64 1xnt s VAL 147 Ca 0.22 0.10 -0.04 0.00 -1.81 0.00 0.00 61.98 60.45 1xnt s VAL 147 Cb 0.03 -0.57 0.09 0.00 0.56 0.00 0.00 36.38 36.49 1xnt s VAL 147 CO -0.03 0.04 0.18 -0.13 -0.31 0.00 0.00 175.10 174.85 1xnt s ARG 148 N 1.31 0.17 0.45 4.82 0.52 0.74 -4.89 118.95 122.07 1xnt s ARG 148 Ca -0.09 0.00 -0.06 0.00 -0.52 0.00 0.00 55.73 55.06 1xnt s ARG 148 Cb -0.08 -1.32 -0.04 0.00 0.52 0.00 0.00 34.95 34.02 1xnt s ARG 148 CO -0.11 -0.74 0.76 -0.06 0.02 0.00 0.00 175.30 175.17 1xnt s PHE 149 N 2.25 3.53 -0.18 -0.53 0.08 -1.24 0.44 117.98 122.33 1xnt s PHE 149 Ca 0.06 0.85 -0.15 0.00 0.12 0.00 0.00 56.93 57.81 1xnt s PHE 149 Cb -0.16 -2.31 0.05 0.00 -0.57 0.00 0.00 43.02 40.03 1xnt s PHE 149 CO -0.16 -0.20 0.48 -3.38 -0.10 0.00 0.00 175.22 171.86 1xnt s HIS 150 N -2.60 -0.59 -2.97 0.36 -3.43 -0.38 -1.75 115.29 103.94 1xnt s HIS 150 Ca 0.48 1.35 0.24 0.00 -0.80 0.00 0.00 55.06 56.33 1xnt s HIS 150 Cb -0.10 0.24 0.25 0.00 -1.43 0.00 0.00 32.58 31.53 1xnt s HIS 150 CO 0.40 -0.30 1.29 0.45 -2.00 0.00 0.00 174.74 174.59