#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vhm n LEU 2 N 0.00 0.00 0.05 -0.89 4.77 -1.26 -3.07 117.00 116.60 2vhm n LEU 2 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2vhm n LEU 2 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2vhm n LEU 2 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 2vhm n GLN 3 N 0.00 0.00 -0.10 3.23 -0.00 -1.26 -4.86 117.38 114.39 2vhm n GLN 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2vhm n GLN 3 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 2vhm n GLN 3 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 2vhm n PRO 4 N -2.79 -0.03 -1.46 2.61 -0.02 -1.26 0.26 135.00 132.31 2vhm n PRO 4 Ca 0.00 -0.01 -0.16 0.00 -2.02 0.00 0.00 63.50 61.31 2vhm n PRO 4 Cb 0.00 0.02 -0.07 0.00 -0.02 0.00 0.00 33.50 33.44 2vhm n PRO 4 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2vhm n LYS 5 N -0.03 -1.55 -0.75 -0.52 0.00 -1.26 -4.57 118.16 109.48 2vhm n LYS 5 Ca 0.00 1.06 -0.11 0.00 0.00 0.00 0.00 58.31 59.25 2vhm n LYS 5 Cb 0.00 -5.45 -0.11 0.00 0.00 0.00 0.00 35.03 29.47 2vhm n LYS 5 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2vhm n ARG 6 N -1.66 0.00 -1.57 1.64 3.00 0.74 -4.50 116.66 114.32 2vhm n ARG 6 Ca -0.16 0.00 -0.48 0.00 -0.00 0.00 0.00 57.85 57.21 2vhm n ARG 6 Cb 0.63 -0.51 -0.05 0.00 0.00 0.00 0.00 32.46 32.53 2vhm n ARG 6 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2vhm n THR 7 N 2.78 0.35 -1.48 5.15 -1.04 -1.26 -4.68 114.28 114.10 2vhm n THR 7 Ca 0.34 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.05 61.67 2vhm n THR 7 Cb 0.07 -1.92 -0.15 0.00 -1.82 0.00 0.00 70.33 66.51 2vhm n THR 7 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2vhm n LYS 8 N 7.76 0.01 0.00 -2.82 0.00 -1.26 -4.57 118.16 117.27 2vhm n LYS 8 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.63 2vhm n LYS 8 Cb 0.30 -1.52 0.00 0.00 -0.00 0.00 0.00 35.03 33.81 2vhm n LYS 8 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2vhm n PHE 9 N 10.34 0.00 0.00 5.58 -0.00 -1.26 -4.47 117.46 127.65 2vhm n PHE 9 Ca 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 58.10 2vhm n PHE 9 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.51 2vhm n PHE 9 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2vhm n ARG 10 N 14.00 0.00 0.00 -4.13 5.12 -1.26 -5.13 116.66 125.26 2vhm n ARG 10 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2vhm n ARG 10 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2vhm n ARG 10 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2vhm n LYS 11 N 0.00 0.00 -3.52 5.56 0.00 -1.26 -4.88 118.16 114.06 2vhm n LYS 11 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.12 2vhm n LYS 11 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 35.03 35.10 2vhm n LYS 11 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2vhm n MET 12 N 0.00 -6.18 0.00 -1.58 2.81 -1.26 -4.79 117.12 106.12 2vhm n MET 12 Ca 0.00 0.78 0.00 0.00 -1.81 0.00 0.00 57.70 56.67 2vhm n MET 12 Cb 0.00 -5.67 0.00 0.00 -0.71 0.00 0.00 33.22 26.84 2vhm n MET 12 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2vhm n HIS 13 N -4.21 0.00 0.00 2.03 -0.00 -1.26 -4.81 115.22 106.97 2vhm n HIS 13 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.44 2vhm n HIS 13 Cb 0.67 0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.70 2vhm n HIS 13 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 2vhm n LYS 14 N 11.99 0.00 0.00 -0.41 0.00 -1.26 -5.03 118.16 123.46 2vhm n LYS 14 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2vhm n LYS 14 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2vhm n LYS 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2vhm n GLY 15 N 0.00 1.33 0.00 2.58 0.00 -1.26 -5.01 105.19 102.83 2vhm n GLY 15 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2vhm n GLY 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2vhm n ARG 16 N -0.22 0.00 0.00 1.61 0.63 -1.26 -5.00 116.66 112.42 2vhm n ARG 16 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2vhm n ARG 16 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2vhm n ARG 16 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2vhm n ASN 17 N 0.00 0.00 0.00 6.15 5.15 -1.26 -5.17 115.26 120.13 2vhm n ASN 17 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2vhm n ASN 17 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2vhm n ASN 17 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 2vhm n ARG 18 N 0.00 0.00 -3.10 1.20 0.00 -1.26 -5.18 116.66 108.32 2vhm n ARG 18 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2vhm n ARG 18 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 2vhm n ARG 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2vhm n GLY 19 N 4.69 -1.26 0.00 2.89 0.00 -1.26 -5.20 105.19 105.05 2vhm n GLY 19 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2vhm n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2vhm n LEU 20 N 0.00 0.00 0.00 0.99 4.32 -1.26 -5.16 117.00 115.89 2vhm n LEU 20 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2vhm n LEU 20 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2vhm n LEU 20 CO 0.00 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.17 2vhm n ALA 21 N -3.00 0.00 -3.92 -1.18 0.00 -1.26 -5.18 120.51 105.98 2vhm n ALA 21 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 2vhm n ALA 21 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2vhm n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vhm n GLN 22 N 0.00 0.79 0.00 0.00 -0.00 -1.26 -4.92 117.38 111.99 2vhm n GLN 22 Ca 0.00 -3.05 0.00 0.00 -0.00 0.00 0.00 57.00 53.95 2vhm n GLN 22 Cb 0.00 0.38 0.00 0.00 -0.00 0.00 0.00 30.24 30.62 2vhm n GLN 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2vhm n GLY 23 N -0.79 1.74 0.00 2.61 0.00 -1.26 -4.82 105.19 102.66 2vhm n GLY 23 Ca -0.03 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2vhm n GLY 23 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2vhm n THR 24 N 0.00 0.00 -3.55 2.61 5.66 -1.26 -4.95 114.28 112.79 2vhm n THR 24 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 2vhm n THR 24 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 2vhm n THR 24 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2vhm s ASP 25 N 0.00 -0.39 0.00 1.09 3.84 -1.26 -4.62 116.67 115.32 2vhm s ASP 25 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 52.55 52.45 2vhm s ASP 25 Cb 0.00 0.52 0.00 0.00 -1.38 0.00 0.00 42.92 42.06 2vhm s ASP 25 CO 0.00 -0.86 0.00 0.52 -0.00 0.00 0.00 175.17 174.83 2vhm n VAL 26 N -0.12 0.00 0.00 2.11 0.31 -1.26 -4.97 118.33 114.40 2vhm n VAL 26 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2vhm n VAL 26 Cb 0.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 2vhm n VAL 26 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2vhm n SER 27 N 0.00 0.00 0.00 4.52 2.88 -1.26 -4.89 113.62 114.87 2vhm n SER 27 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2vhm n SER 27 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2vhm n SER 27 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 2vhm n PHE 28 N -0.58 0.00 0.00 0.66 -0.00 -1.26 -5.09 117.46 111.19 2vhm n PHE 28 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2vhm n PHE 28 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 2vhm n PHE 28 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2vhm n GLY 29 N 1.43 0.90 2.64 7.13 0.00 -1.26 -5.03 105.19 111.00 2vhm n GLY 29 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2vhm n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2vhm n SER 30 N 0.00 -0.02 0.00 1.61 3.41 0.26 -4.77 113.62 114.11 2vhm n SER 30 Ca 0.00 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 2vhm n SER 30 Cb 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 2vhm n SER 30 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2vhm n PHE 31 N -1.01 0.00 0.00 7.33 7.35 -1.26 -4.78 117.46 125.09 2vhm n PHE 31 Ca -0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.63 2vhm n PHE 31 Cb 0.85 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.68 2vhm n PHE 31 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2vhm n GLY 32 N -1.59 3.14 0.00 7.13 0.00 -1.23 0.38 105.19 113.02 2vhm n GLY 32 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2vhm n GLY 32 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2vhm n LEU 33 N 0.00 0.00 -4.61 0.99 0.00 -1.26 -4.17 117.00 107.95 2vhm n LEU 33 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 56.01 55.58 2vhm n LEU 33 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.40 2vhm n LEU 33 CO 0.00 0.00 1.07 -0.75 0.00 0.00 0.00 177.39 177.71 2vhm s LYS 34 N 0.00 3.77 0.93 1.96 2.20 -1.25 -1.66 119.74 125.69 2vhm s LYS 34 Ca 0.00 0.78 -0.12 0.00 -0.36 0.00 0.00 55.97 56.27 2vhm s LYS 34 Cb 0.00 -3.90 0.15 0.00 -1.51 0.00 0.00 37.83 32.57 2vhm s LYS 34 CO 0.00 -1.32 1.13 0.00 -0.36 0.00 0.00 175.35 174.80 2vhm s ALA 35 N 4.51 1.60 -0.01 3.13 0.00 -1.04 -3.70 121.76 126.25 2vhm s ALA 35 Ca 0.51 -0.50 -0.13 0.00 0.00 0.00 0.00 51.96 51.84 2vhm s ALA 35 Cb -0.10 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 19.99 2vhm s ALA 35 CO 0.28 -2.40 0.26 0.54 0.00 0.00 0.00 175.76 174.44 2vhm s VAL 36 N -3.22 0.06 -0.18 0.00 0.11 0.13 -4.34 120.40 112.95 2vhm s VAL 36 Ca 0.64 -0.54 -0.02 0.00 -2.93 0.00 0.00 61.98 59.14 2vhm s VAL 36 Cb -0.16 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.14 2vhm s VAL 36 CO 0.54 -0.30 0.19 0.61 -3.33 0.00 0.00 175.10 172.82 2vhm n GLY 37 N 1.33 -0.67 2.87 6.54 0.00 -1.26 -3.27 105.19 110.74 2vhm n GLY 37 Ca -0.22 0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 2vhm n GLY 37 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2vhm n ARG 38 N -0.97 0.00 0.00 1.61 1.85 -1.23 -4.53 116.66 113.39 2vhm n ARG 38 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 2vhm n ARG 38 Cb 0.38 -0.92 0.00 0.00 -1.05 0.00 0.00 32.46 30.87 2vhm n ARG 38 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2vhm n GLY 39 N 2.80 1.51 2.80 2.89 0.00 -1.19 -5.01 105.19 109.00 2vhm n GLY 39 Ca 0.02 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 2vhm n GLY 39 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2vhm s ARG 40 N 4.32 0.97 -0.43 1.61 3.52 -1.26 -4.05 118.95 123.62 2vhm s ARG 40 Ca 0.00 -0.96 -0.26 0.00 -0.13 0.00 0.00 55.73 54.38 2vhm s ARG 40 Cb 0.00 -2.25 0.02 0.00 -1.56 0.00 0.00 34.95 31.16 2vhm s ARG 40 CO 0.00 -0.81 0.94 -0.51 -0.81 0.00 0.00 175.30 174.11 2vhm s LEU 41 N 1.57 3.98 0.00 -0.88 1.43 -0.93 -4.80 118.68 119.05 2vhm s LEU 41 Ca 0.04 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 2vhm s LEU 41 Cb -0.18 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 42.80 2vhm s LEU 41 CO -0.15 -1.00 0.43 0.35 0.23 0.00 0.00 176.35 176.20 2vhm n THR 42 N 6.31 0.25 0.00 5.49 -2.24 -1.26 -0.31 114.28 122.52 2vhm n THR 42 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 2vhm n THR 42 Cb 0.48 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 2vhm n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vhm n ALA 43 N 0.40 0.00 0.00 6.98 0.00 -1.26 -2.55 120.51 124.09 2vhm n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2vhm n ALA 43 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 2vhm n ALA 43 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2vhm n ARG 44 N 0.00 0.00 -0.07 0.00 1.85 -1.26 0.10 116.66 117.28 2vhm n ARG 44 Ca 0.00 0.19 -0.11 0.00 -1.00 0.00 0.00 57.85 56.93 2vhm n ARG 44 Cb 0.00 -1.67 -0.08 0.00 -1.05 0.00 0.00 32.46 29.66 2vhm n ARG 44 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 2vhm h GLN 45 N 0.00 0.00 -0.94 2.89 4.15 -1.83 -2.78 115.11 116.60 2vhm h GLN 45 Ca 0.00 0.00 0.20 0.00 0.77 0.00 0.00 58.65 59.62 2vhm h GLN 45 Cb 0.34 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.95 2vhm h GLN 45 CO 0.00 0.61 0.61 0.82 -1.93 0.00 0.00 178.83 178.94 2vhm h ILE 46 N -1.00 0.68 0.00 2.39 2.04 0.41 0.88 117.51 122.92 2vhm h ILE 46 Ca -0.09 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 2vhm h ILE 46 Cb 0.77 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 2vhm h ILE 46 CO -0.05 0.09 -0.49 -0.08 0.00 0.00 0.00 178.15 177.62 2vhm h GLU 47 N 0.52 0.00 -0.27 2.37 4.57 -1.63 -3.04 114.58 117.10 2vhm h GLU 47 Ca 0.51 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.75 2vhm h GLU 47 Cb 1.11 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.63 2vhm h GLU 47 CO -0.24 0.10 -0.18 0.00 -1.18 0.00 0.00 179.01 177.51 2vhm h ALA 48 N 1.87 -0.00 -0.35 2.92 0.00 0.11 0.27 119.26 124.09 2vhm h ALA 48 Ca -0.01 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2vhm h ALA 48 Cb 1.11 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 2vhm h ALA 48 CO 0.01 -0.59 0.06 0.00 0.00 0.00 0.00 179.25 178.73 2vhm n ALA 49 N -2.74 3.40 -0.45 0.00 0.00 -0.95 -2.98 120.51 116.79 2vhm n ALA 49 Ca -0.00 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.33 2vhm n ALA 49 Cb 0.26 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2vhm n ALA 49 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2vhm n ARG 50 N 0.21 0.00 0.29 0.00 3.00 0.92 -2.52 116.66 118.56 2vhm n ARG 50 Ca 0.18 0.17 0.09 0.00 -0.00 0.00 0.00 57.85 58.29 2vhm n ARG 50 Cb 0.82 -0.59 0.49 0.00 0.00 0.00 0.00 32.46 33.18 2vhm n ARG 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2vhm h ARG 51 N 0.00 0.00 0.06 -0.14 3.08 -1.60 -2.18 114.38 113.60 2vhm h ARG 51 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 2vhm h ARG 51 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2vhm h ARG 51 CO 0.00 0.00 -1.74 0.00 -1.07 0.00 0.00 179.97 177.16 2vhm n ALA 52 N -1.69 0.89 0.51 0.04 0.00 -1.16 -4.25 120.51 114.85 2vhm n ALA 52 Ca -0.01 -0.60 0.12 0.00 0.00 0.00 0.00 53.44 52.94 2vhm n ALA 52 Cb 0.53 -0.55 0.45 0.00 0.00 0.00 0.00 19.45 19.88 2vhm n ALA 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2vhm n MET 53 N -3.93 0.17 -3.09 0.00 0.00 -0.83 -2.32 117.12 107.12 2vhm n MET 53 Ca -0.34 0.32 -0.32 0.00 -0.00 0.00 0.00 57.70 57.35 2vhm n MET 53 Cb 0.88 -1.78 -0.04 0.00 0.00 0.00 0.00 33.22 32.28 2vhm n MET 53 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2vhm n THR 54 N -2.10 3.71 0.00 1.12 -2.24 -1.14 -4.76 114.28 108.87 2vhm n THR 54 Ca 0.04 -5.58 0.00 0.00 -2.27 0.00 0.00 64.05 56.23 2vhm n THR 54 Cb 0.28 -1.83 0.00 0.00 -2.10 0.00 0.00 70.33 66.68 2vhm n THR 54 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2vhm n ARG 55 N 0.51 0.00 0.00 -0.78 0.63 -0.98 -4.52 116.66 111.52 2vhm n ARG 55 Ca 0.32 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.38 2vhm n ARG 55 Cb 0.37 -0.02 0.38 0.00 0.45 0.00 0.00 32.46 33.64 2vhm n ARG 55 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2vhm n ALA 56 N -3.00 3.14 -1.58 5.13 0.00 -1.26 -4.63 120.51 118.31 2vhm n ALA 56 Ca 0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 53.44 52.94 2vhm n ALA 56 Cb 0.00 -1.16 -0.11 0.00 0.00 0.00 0.00 19.45 18.18 2vhm n ALA 56 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2vhm s VAL 57 N -2.63 3.00 0.26 0.00 1.01 -1.26 -4.86 120.40 115.92 2vhm s VAL 57 Ca 0.21 -0.00 -0.19 0.00 0.00 0.00 0.00 61.98 62.00 2vhm s VAL 57 Cb 0.19 -3.71 -0.13 0.00 0.00 0.00 0.00 36.38 32.72 2vhm s VAL 57 CO 0.56 -0.00 0.21 0.29 0.00 0.00 0.00 175.10 176.15 2vhm n LYS 58 N 8.34 0.00 -1.37 2.72 5.02 -1.26 -4.32 118.16 127.29 2vhm n LYS 58 Ca 0.43 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.63 2vhm n LYS 58 Cb 0.46 -0.80 -0.08 0.00 -0.02 0.00 0.00 35.03 34.59 2vhm n LYS 58 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2vhm n ARG 59 N 0.97 0.08 -4.17 1.97 3.00 -1.26 -4.80 116.66 112.45 2vhm n ARG 59 Ca 0.11 -1.00 -0.34 0.00 -0.01 0.00 0.00 57.85 56.61 2vhm n ARG 59 Cb 0.27 -2.80 -0.15 0.00 0.00 0.00 0.00 32.46 29.79 2vhm n ARG 59 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2vhm s GLN 60 N 7.27 3.28 0.00 5.56 -1.52 -1.26 -4.39 119.66 128.60 2vhm s GLN 60 Ca 0.55 -0.69 0.00 0.00 -1.95 0.00 0.00 55.36 53.27 2vhm s GLN 60 Cb -0.06 -2.81 0.00 0.00 -0.22 0.00 0.00 33.01 29.92 2vhm s GLN 60 CO 0.13 -0.10 0.00 0.41 -0.25 0.00 0.00 175.29 175.47 2vhm n GLY 61 N 4.46 0.10 0.87 3.09 0.00 -1.26 -4.51 105.19 107.94 2vhm n GLY 61 Ca -0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.91 2vhm n GLY 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2vhm n LYS 62 N -2.00 -2.08 -3.47 1.61 4.81 -1.26 -4.00 118.16 111.77 2vhm n LYS 62 Ca 0.00 1.69 -0.22 0.00 -0.87 0.00 0.00 58.31 58.90 2vhm n LYS 62 Cb 0.00 -2.33 0.01 0.00 0.02 0.00 0.00 35.03 32.74 2vhm n LYS 62 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 2vhm s ILE 63 N -4.02 2.13 -0.35 3.15 1.10 -1.26 -3.89 121.20 118.06 2vhm s ILE 63 Ca 0.00 -1.26 0.05 0.00 -0.51 0.00 0.00 60.65 58.93 2vhm s ILE 63 Cb 0.00 -2.38 0.32 0.00 0.15 0.00 0.00 42.46 40.54 2vhm s ILE 63 CO 0.00 0.00 1.34 1.87 -2.11 0.00 0.00 174.94 176.04 2vhm n TRP 64 N -1.89 -0.95 -3.31 3.50 -0.00 -1.23 -4.75 117.44 108.82 2vhm n TRP 64 Ca 0.06 -1.04 -0.38 0.00 -0.00 0.00 0.00 57.50 56.14 2vhm n TRP 64 Cb 0.62 1.28 -0.06 0.00 -0.00 0.00 0.00 31.31 33.15 2vhm n TRP 64 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 177.69 178.65 2vhm s ILE 65 N 0.09 5.16 -0.79 5.87 -4.36 -1.17 -4.22 121.20 121.78 2vhm s ILE 65 Ca 0.20 0.91 0.02 0.00 -0.26 0.00 0.00 60.65 61.52 2vhm s ILE 65 Cb 0.29 -3.81 0.32 0.00 1.25 0.00 0.00 42.46 40.51 2vhm s ILE 65 CO -0.16 0.26 1.28 -2.11 0.24 0.00 0.00 174.94 174.45 2vhm n ARG 66 N 4.18 4.04 -3.94 0.37 1.85 -1.26 0.18 116.66 122.09 2vhm n ARG 66 Ca -0.07 -4.74 -0.09 0.00 -1.00 0.00 0.00 57.85 51.95 2vhm n ARG 66 Cb 0.51 -2.35 -0.10 0.00 -1.05 0.00 0.00 32.46 29.48 2vhm n ARG 66 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2vhm s VAL 67 N -4.00 0.13 0.30 8.89 0.11 -1.26 -4.83 120.40 119.74 2vhm s VAL 67 Ca 0.43 -1.06 0.06 0.00 -2.93 0.00 0.00 61.98 58.48 2vhm s VAL 67 Cb 0.21 -0.79 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 2vhm s VAL 67 CO -0.09 -0.58 0.27 0.49 -3.33 0.00 0.00 175.10 171.85 2vhm n PHE 68 N 0.93 -0.77 0.00 1.54 3.72 -1.26 -4.92 117.46 116.69 2vhm n PHE 68 Ca -0.20 -2.49 0.00 0.00 -0.05 0.00 0.00 57.45 54.71 2vhm n PHE 68 Cb 0.58 0.28 0.00 0.00 -0.94 0.00 0.00 39.48 39.40 2vhm n PHE 68 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2vhm n PRO 69 N -0.56 2.35 0.00 -1.08 -0.04 -1.26 -4.67 135.00 129.73 2vhm n PRO 69 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2vhm n PRO 69 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 2vhm n PRO 69 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2vhm n ASP 70 N 0.00 0.00 0.00 3.54 -0.08 -1.26 -4.70 116.55 114.05 2vhm n ASP 70 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2vhm n ASP 70 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2vhm n ASP 70 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2vhm n LYS 71 N 0.00 0.00 -1.06 -0.67 -0.00 -1.26 -4.91 118.16 110.26 2vhm n LYS 71 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.97 2vhm n LYS 71 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2vhm n LYS 71 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2vhm n PRO 72 N 0.00 0.00 0.00 -1.58 -0.02 -1.26 -4.55 135.00 127.59 2vhm n PRO 72 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2vhm n PRO 72 Cb 0.00 -0.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 2vhm n PRO 72 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2vhm n ILE 73 N -0.79 0.00 0.00 4.25 -0.00 -1.21 -4.60 119.36 117.00 2vhm n ILE 73 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.84 2vhm n ILE 73 Cb 0.32 -0.54 0.00 0.00 -0.00 0.00 0.00 39.64 39.42 2vhm n ILE 73 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 2vhm n THR 74 N -0.75 0.00 -4.16 1.39 -1.04 -1.19 -4.84 114.28 103.69 2vhm n THR 74 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 2vhm n THR 74 Cb 0.00 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.41 2vhm n THR 74 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2vhm s GLU 75 N -5.19 0.91 0.01 -2.82 2.02 0.08 -4.90 118.70 108.80 2vhm s GLU 75 Ca 0.00 -1.42 0.01 0.00 0.02 0.00 0.00 54.97 53.59 2vhm s GLU 75 Cb 0.00 0.08 -0.01 0.00 0.10 0.00 0.00 34.13 34.31 2vhm s GLU 75 CO 0.00 -0.19 -0.04 -1.59 0.02 0.00 0.00 175.26 173.46 2vhm s LYS 76 N -3.98 0.31 0.03 1.61 -2.85 -1.26 -2.60 119.74 111.01 2vhm s LYS 76 Ca 0.20 -0.26 -0.25 0.00 -1.00 0.00 0.00 55.97 54.66 2vhm s LYS 76 Cb 0.07 -0.24 -0.14 0.00 -2.06 0.00 0.00 37.83 35.47 2vhm s LYS 76 CO -0.00 0.06 1.21 -1.35 0.10 0.00 0.00 175.35 175.37 2vhm h PRO 77 N 5.70 -0.86 0.00 1.78 0.11 -2.01 -3.43 132.00 133.29 2vhm h PRO 77 Ca -0.28 0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.78 2vhm h PRO 77 Cb 1.20 0.19 -0.09 0.00 0.11 0.00 0.00 31.00 32.41 2vhm h PRO 77 CO 0.48 -0.57 -0.05 1.28 -0.21 0.00 0.00 178.00 178.93 2vhm n LEU 78 N -4.73 -1.08 -4.64 2.35 4.77 -1.26 -5.16 117.00 107.25 2vhm n LEU 78 Ca -0.11 -2.21 -0.34 0.00 -0.03 0.00 0.00 56.01 53.31 2vhm n LEU 78 Cb 0.35 0.58 -0.10 0.00 -2.33 0.00 0.00 43.42 41.92 2vhm n LEU 78 CO 0.27 1.37 -0.25 0.00 -1.33 0.00 0.00 177.39 177.45 2vhm s ALA 79 N 0.08 3.42 0.01 -1.18 0.00 -1.26 -5.03 121.76 117.79 2vhm s ALA 79 Ca 0.07 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 2vhm s ALA 79 Cb 0.19 -1.92 -0.00 0.00 0.00 0.00 0.00 23.12 21.38 2vhm s ALA 79 CO -0.05 0.19 0.62 0.28 0.00 0.00 0.00 175.76 176.80 2vhm n VAL 80 N 3.49 -0.02 0.00 0.00 0.31 -1.26 -4.68 118.33 116.17 2vhm n VAL 80 Ca -0.17 0.93 0.00 0.00 -0.01 0.00 0.00 64.34 65.10 2vhm n VAL 80 Cb 0.52 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 2vhm n VAL 80 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2vhm n ARG 81 N -2.72 0.00 0.00 5.55 1.85 -1.26 -4.94 116.66 115.14 2vhm n ARG 81 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2vhm n ARG 81 Cb 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.42 2vhm n ARG 81 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 2vhm n MET 82 N 0.00 0.00 0.00 2.89 2.81 -1.26 -4.79 117.12 116.77 2vhm n MET 82 Ca 0.00 0.39 0.00 0.00 -1.81 0.00 0.00 57.70 56.28 2vhm n MET 82 Cb 0.00 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 30.95 2vhm n MET 82 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2vhm n GLY 83 N -1.38 2.17 5.46 3.03 0.00 -1.26 -4.91 105.19 108.29 2vhm n GLY 83 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2vhm n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2vhm n LYS 84 N 0.00 0.00 0.00 1.61 4.01 -1.26 -4.38 118.16 118.14 2vhm n LYS 84 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2vhm n LYS 84 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 2vhm n LYS 84 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2vhm n GLY 85 N 0.00 0.86 0.00 0.72 0.00 -1.26 -5.10 105.19 100.40 2vhm n GLY 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2vhm n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2vhm n LYS 86 N 0.00 0.00 -1.33 1.61 5.02 -1.26 -4.60 118.16 117.60 2vhm n LYS 86 Ca 0.00 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 55.83 2vhm n LYS 86 Cb 0.00 -0.18 -0.03 0.00 -0.02 0.00 0.00 35.03 34.80 2vhm n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2vhm n GLY 87 N 0.00 -1.54 1.11 0.72 0.00 -1.07 -4.73 105.19 99.68 2vhm n GLY 87 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2vhm n GLY 87 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2vhm n ASN 88 N 1.85 0.15 -1.23 1.61 5.03 -1.26 -0.74 115.26 120.66 2vhm n ASN 88 Ca 0.17 0.03 -0.07 0.00 0.87 0.00 0.00 54.58 55.58 2vhm n ASN 88 Cb 0.22 -0.04 -0.03 0.00 -1.02 0.00 0.00 39.78 38.92 2vhm n ASN 88 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 2vhm n VAL 89 N -3.03 -0.01 0.00 2.41 3.14 -1.26 -3.15 118.33 116.43 2vhm n VAL 89 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2vhm n VAL 89 Cb 0.38 -0.66 0.00 0.00 -1.06 0.00 0.00 33.84 32.50 2vhm n VAL 89 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2vhm n GLU 90 N -1.49 0.00 -1.24 1.45 1.02 -1.26 -5.03 120.64 114.10 2vhm n GLU 90 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2vhm n GLU 90 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.65 2vhm n GLU 90 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2vhm n TYR 91 N -0.12 0.00 -1.50 -0.32 4.02 -1.26 -4.81 117.16 113.17 2vhm n TYR 91 Ca 0.00 0.00 -0.48 0.00 -0.01 0.00 0.00 57.90 57.41 2vhm n TYR 91 Cb 0.00 -0.54 -0.06 0.00 -0.02 0.00 0.00 39.34 38.72 2vhm n TYR 91 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 2vhm n TRP 92 N -1.90 1.73 -3.30 -0.72 8.01 -1.26 -4.06 117.44 115.95 2vhm n TRP 92 Ca 0.00 0.14 -0.24 0.00 -1.31 0.00 0.00 57.50 56.09 2vhm n TRP 92 Cb 0.27 -2.60 -0.01 0.00 -2.01 0.00 0.00 31.31 26.96 2vhm n TRP 92 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.69 176.82 2vhm s VAL 93 N 7.60 5.02 0.10 -0.99 -7.23 0.58 -4.83 120.40 120.66 2vhm s VAL 93 Ca 1.06 -0.42 -0.07 0.00 -1.81 0.00 0.00 61.98 60.75 2vhm s VAL 93 Cb -0.68 -3.84 -0.06 0.00 0.56 0.00 0.00 36.38 32.37 2vhm s VAL 93 CO 0.44 -0.57 0.37 0.00 -0.31 0.00 0.00 175.10 175.04 2vhm s ALA 94 N -2.36 3.78 0.03 1.32 0.00 -1.26 -2.18 121.76 121.07 2vhm s ALA 94 Ca 0.41 -0.50 -0.28 0.00 0.00 0.00 0.00 51.96 51.59 2vhm s ALA 94 Cb -0.10 -2.17 0.10 0.00 0.00 0.00 0.00 23.12 20.95 2vhm s ALA 94 CO 0.37 0.63 0.99 -0.48 0.00 0.00 0.00 175.76 177.27 2vhm s LEU 95 N -2.29 -0.25 0.00 0.00 2.34 -1.26 -4.90 118.68 112.33 2vhm s LEU 95 Ca 0.37 -0.15 0.00 0.00 0.06 0.00 0.00 54.13 54.41 2vhm s LEU 95 Cb -0.13 1.93 0.00 0.00 -0.56 0.00 0.00 46.19 47.44 2vhm s LEU 95 CO 0.21 -0.64 0.00 -0.38 -1.06 0.00 0.00 176.35 174.48 2vhm n ILE 96 N -0.33 0.00 -2.59 1.48 5.41 -1.26 -3.19 119.36 118.88 2vhm n ILE 96 Ca -0.07 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.68 2vhm n ILE 96 Cb 0.61 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 39.58 2vhm n ILE 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2vhm n GLN 97 N -1.72 0.96 -3.88 0.38 3.00 -1.26 -3.47 117.38 111.39 2vhm n GLN 97 Ca 0.00 -2.21 -0.22 0.00 -0.01 0.00 0.00 57.00 54.56 2vhm n GLN 97 Cb 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 30.24 29.81 2vhm n GLN 97 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 2vhm s PRO 98 N -1.36 3.45 0.54 -1.09 0.02 -1.26 -4.57 135.00 130.72 2vhm s PRO 98 Ca 0.20 -0.69 -0.19 0.00 0.02 0.00 0.00 61.00 60.35 2vhm s PRO 98 Cb 0.32 -2.86 -0.06 0.00 0.02 0.00 0.00 34.50 31.92 2vhm s PRO 98 CO -0.09 0.39 1.07 0.20 -0.33 0.00 0.00 177.00 178.25 2vhm s GLY 99 N -3.94 2.42 -0.36 0.52 0.00 -1.26 -2.48 107.32 102.22 2vhm s GLY 99 Ca 0.35 0.59 0.14 0.00 0.00 0.00 0.00 44.72 45.80 2vhm s GLY 99 CO 0.30 0.92 1.07 0.28 0.00 0.00 0.00 173.10 175.67 2vhm n LYS 100 N -1.40 1.14 0.15 2.90 4.01 -0.66 -4.77 118.16 119.52 2vhm n LYS 100 Ca 0.10 -2.74 0.00 0.00 -0.51 0.00 0.00 58.31 55.16 2vhm n LYS 100 Cb 0.52 -0.90 0.00 0.00 -0.51 0.00 0.00 35.03 34.15 2vhm n LYS 100 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2vhm n VAL 101 N -0.17 0.00 -1.21 -0.18 0.31 -1.26 -4.66 118.33 111.15 2vhm n VAL 101 Ca 0.07 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.55 2vhm n VAL 101 Cb 0.81 -0.01 -0.07 0.00 -0.91 0.00 0.00 33.84 33.65 2vhm n VAL 101 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2vhm n LEU 102 N -3.11 -0.84 -3.61 7.52 4.32 -1.19 -3.39 117.00 116.70 2vhm n LEU 102 Ca 0.00 1.95 -0.07 0.00 -0.02 0.00 0.00 56.01 57.87 2vhm n LEU 102 Cb 0.00 -2.96 -0.08 0.00 -1.62 0.00 0.00 43.42 38.76 2vhm n LEU 102 CO 0.00 -2.01 0.07 -0.31 -1.22 0.00 0.00 177.39 173.92 2vhm s TYR 103 N -3.81 -0.94 -2.41 -1.77 2.02 0.16 -4.49 117.35 106.12 2vhm s TYR 103 Ca 0.00 1.63 0.25 0.00 -0.37 0.00 0.00 57.07 58.58 2vhm s TYR 103 Cb 0.00 0.39 0.90 0.00 -0.40 0.00 0.00 41.96 42.85 2vhm s TYR 103 CO 0.00 -0.55 1.65 0.39 -1.57 0.00 0.00 175.55 175.46 2vhm n GLU 104 N 5.40 1.72 -0.13 -0.62 1.02 -1.25 -0.58 120.64 126.20 2vhm n GLU 104 Ca -0.08 -1.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.00 2vhm n GLU 104 Cb 0.49 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 2vhm n GLU 104 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 2vhm n MET 105 N 0.28 3.58 -4.29 3.49 1.56 -1.26 -4.79 117.12 115.69 2vhm n MET 105 Ca 0.18 0.00 -0.27 0.00 -0.27 0.00 0.00 57.70 57.33 2vhm n MET 105 Cb 0.35 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.66 2vhm n MET 105 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 2vhm n ASP 106 N -0.11 2.99 0.00 6.12 8.00 -1.26 -4.91 116.55 127.38 2vhm n ASP 106 Ca 0.00 -2.92 0.00 0.00 0.71 0.00 0.00 54.79 52.58 2vhm n ASP 106 Cb 0.00 0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 2vhm n ASP 106 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vhm n GLY 107 N -0.25 1.05 3.55 0.44 0.00 -1.26 -4.79 105.19 103.93 2vhm n GLY 107 Ca -0.17 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.48 2vhm n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vhm s VAL 108 N -1.78 3.35 0.08 1.61 -7.23 -1.26 -4.88 120.40 110.29 2vhm s VAL 108 Ca 0.00 0.07 -0.34 0.00 -1.81 0.00 0.00 61.98 59.90 2vhm s VAL 108 Cb 0.00 -3.90 -0.16 0.00 0.56 0.00 0.00 36.38 32.88 2vhm s VAL 108 CO 0.00 -0.87 1.53 -0.65 -0.31 0.00 0.00 175.10 174.80 2vhm h PRO 109 N 14.39 -0.94 -0.46 4.82 0.11 -1.94 -3.02 132.00 144.96 2vhm h PRO 109 Ca -0.18 0.06 0.09 0.00 0.11 0.00 0.00 66.00 66.09 2vhm h PRO 109 Cb 1.13 0.21 -0.10 0.00 0.11 0.00 0.00 31.00 32.36 2vhm h PRO 109 CO 1.21 -0.62 -0.23 0.93 -0.21 0.00 0.00 178.00 179.08 2vhm h GLU 110 N -0.97 -0.12 0.00 1.05 5.08 -1.92 0.49 114.58 118.19 2vhm h GLU 110 Ca -0.06 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2vhm h GLU 110 Cb 0.84 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2vhm h GLU 110 CO -0.05 -0.08 0.00 -1.91 -1.00 0.00 0.00 179.01 175.97 2vhm n GLU 111 N -5.40 0.07 0.08 2.33 2.13 -1.15 -3.27 120.64 115.43 2vhm n GLU 111 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 2vhm n GLU 111 Cb 0.31 -1.02 0.00 0.00 0.27 0.00 0.00 31.44 31.00 2vhm n GLU 111 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2vhm n LEU 112 N -0.52 0.51 -2.38 4.31 4.77 0.15 -4.86 117.00 118.99 2vhm n LEU 112 Ca 0.00 0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 56.00 2vhm n LEU 112 Cb 0.00 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 40.99 2vhm n LEU 112 CO 0.00 -0.74 1.58 0.00 -1.33 0.00 0.00 177.39 176.90 2vhm n ALA 113 N -3.37 6.42 -0.47 -1.18 0.00 -0.11 -3.45 120.51 118.35 2vhm n ALA 113 Ca 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 53.44 50.65 2vhm n ALA 113 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.28 2vhm n ALA 113 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2vhm n ARG 114 N 1.19 0.00 0.00 0.00 0.00 -1.21 -4.74 116.66 111.89 2vhm n ARG 114 Ca 0.47 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 58.43 2vhm n ARG 114 Cb 0.62 -0.09 0.58 0.00 0.00 0.00 0.00 32.46 33.58 2vhm n ARG 114 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2vhm n GLU 115 N 0.00 0.55 -0.00 -0.14 4.71 -1.22 -2.65 120.64 121.88 2vhm n GLU 115 Ca 0.00 0.03 0.04 0.00 -0.01 0.00 0.00 57.16 57.22 2vhm n GLU 115 Cb 0.06 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 28.93 2vhm n GLU 115 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2vhm n ALA 116 N -1.08 2.66 -0.27 0.62 0.00 -1.26 -4.56 120.51 116.62 2vhm n ALA 116 Ca 0.14 -0.23 0.05 0.00 0.00 0.00 0.00 53.44 53.39 2vhm n ALA 116 Cb 0.09 -0.31 0.14 0.00 0.00 0.00 0.00 19.45 19.37 2vhm n ALA 116 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2vhm h PHE 117 N 0.00 -0.20 0.00 0.00 3.57 -1.83 0.60 116.94 119.09 2vhm h PHE 117 Ca 0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2vhm h PHE 117 Cb 0.33 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2vhm h PHE 117 CO 0.00 -0.29 0.00 1.17 -2.23 0.00 0.00 178.31 176.96 2vhm n LYS 118 N -5.42 0.07 -0.30 1.11 3.00 -1.26 0.20 118.16 115.55 2vhm n LYS 118 Ca 0.13 0.27 0.11 0.00 -0.00 0.00 0.00 58.31 58.82 2vhm n LYS 118 Cb 0.46 -1.50 0.27 0.00 0.00 0.00 0.00 35.03 34.27 2vhm n LYS 118 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2vhm n LEU 119 N -1.38 3.71 -4.41 3.14 7.99 0.21 -4.89 117.00 121.36 2vhm n LEU 119 Ca 0.03 -1.84 -0.33 0.00 -0.01 0.00 0.00 56.01 53.86 2vhm n LEU 119 Cb 0.09 -0.39 -0.14 0.00 -0.11 0.00 0.00 43.42 42.86 2vhm n LEU 119 CO 0.07 0.89 -0.45 0.00 -1.51 0.00 0.00 177.39 176.39 2vhm s ALA 120 N -1.14 2.64 -0.26 -1.18 0.00 0.52 -4.51 121.76 117.83 2vhm s ALA 120 Ca 0.43 -0.93 0.25 0.00 0.00 0.00 0.00 51.96 51.72 2vhm s ALA 120 Cb 0.23 -1.11 0.61 0.00 0.00 0.00 0.00 23.12 22.86 2vhm s ALA 120 CO 0.31 0.38 1.70 0.00 0.00 0.00 0.00 175.76 178.16 2vhm h ALA 121 N 6.12 0.98 -3.81 0.00 0.00 -1.87 -3.45 119.26 117.24 2vhm h ALA 121 Ca -0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2vhm h ALA 121 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2vhm h ALA 121 CO 0.53 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.83 2vhm n ALA 122 N -2.11 0.02 -2.48 0.00 0.00 -1.26 -4.99 120.51 109.69 2vhm n ALA 122 Ca 0.03 -0.07 -0.24 0.00 0.00 0.00 0.00 53.44 53.15 2vhm n ALA 122 Cb 0.48 0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 2vhm n ALA 122 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2vhm s LYS 123 N -2.36 1.71 -0.29 0.00 1.02 -1.20 -5.00 119.74 113.62 2vhm s LYS 123 Ca 0.02 -1.69 -0.16 0.00 0.02 0.00 0.00 55.97 54.16 2vhm s LYS 123 Cb -0.00 -1.82 0.17 0.00 -0.52 0.00 0.00 37.83 35.66 2vhm s LYS 123 CO 0.02 0.35 1.10 -0.48 -0.92 0.00 0.00 175.35 175.41 2vhm s LEU 124 N -3.37 -0.32 0.48 3.17 2.34 -1.26 0.18 118.68 119.89 2vhm s LEU 124 Ca 0.29 0.51 0.05 0.00 0.06 0.00 0.00 54.13 55.03 2vhm s LEU 124 Cb -0.06 1.46 0.02 0.00 -0.56 0.00 0.00 46.19 47.05 2vhm s LEU 124 CO 0.15 -0.08 0.66 -2.84 -1.06 0.00 0.00 176.35 173.18 2vhm s PRO 125 N 1.32 2.70 0.00 1.48 0.02 -1.24 -5.00 135.00 134.27 2vhm s PRO 125 Ca -0.08 -1.04 0.00 0.00 0.02 0.00 0.00 61.00 59.90 2vhm s PRO 125 Cb -0.03 -2.64 0.00 0.00 0.02 0.00 0.00 34.50 31.85 2vhm s PRO 125 CO -0.13 -0.47 0.00 0.44 -0.33 0.00 0.00 177.00 176.51 2vhm n ILE 126 N -2.07 0.00 -0.31 2.83 -0.00 -1.26 -3.76 119.36 114.79 2vhm n ILE 126 Ca 0.08 0.02 0.00 0.00 -0.00 0.00 0.00 62.75 62.85 2vhm n ILE 126 Cb 0.59 -0.24 0.00 0.00 -0.00 0.00 0.00 39.64 39.99 2vhm n ILE 126 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2vhm n LYS 127 N 0.00 -0.87 -3.67 6.28 4.76 -1.26 -3.81 118.16 119.59 2vhm n LYS 127 Ca 0.00 0.64 -0.09 0.00 -2.87 0.00 0.00 58.31 55.99 2vhm n LYS 127 Cb 0.00 -0.71 -0.09 0.00 -1.84 0.00 0.00 35.03 32.39 2vhm n LYS 127 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2vhm s THR 128 N -1.63 -0.01 -0.38 -0.18 -1.32 -1.26 -3.48 115.64 107.38 2vhm s THR 128 Ca 0.00 0.04 -0.03 0.00 -1.21 0.00 0.00 61.69 60.49 2vhm s THR 128 Cb 0.00 -0.80 0.09 0.00 -1.51 0.00 0.00 72.50 70.28 2vhm s THR 128 CO 0.00 0.02 0.16 -0.89 -2.21 0.00 0.00 174.62 171.69 2vhm s THR 129 N 1.42 3.32 -1.93 5.08 2.01 -1.26 -4.85 115.64 119.43 2vhm s THR 129 Ca -0.09 -1.81 0.01 0.00 0.31 0.00 0.00 61.69 60.12 2vhm s THR 129 Cb -0.06 -3.16 0.04 0.00 0.01 0.00 0.00 72.50 69.33 2vhm s THR 129 CO -0.15 -0.52 1.00 2.22 -0.69 0.00 0.00 174.62 176.48 2vhm n PHE 130 N 4.64 0.06 -3.83 4.92 -1.74 -1.26 -4.60 117.46 115.65 2vhm n PHE 130 Ca -0.06 -0.03 -0.36 0.00 -0.56 0.00 0.00 57.45 56.44 2vhm n PHE 130 Cb 0.42 -0.01 -0.13 0.00 1.52 0.00 0.00 39.48 41.28 2vhm n PHE 130 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2vhm s VAL 131 N -1.88 3.63 -0.69 1.97 -7.23 -1.26 -5.00 120.40 109.93 2vhm s VAL 131 Ca 0.03 -0.72 -0.06 0.00 -1.81 0.00 0.00 61.98 59.42 2vhm s VAL 131 Cb 0.02 -2.82 -0.11 0.00 0.56 0.00 0.00 36.38 34.02 2vhm s VAL 131 CO 0.02 0.17 2.51 1.07 -0.31 0.00 0.00 175.10 178.56 2vhm n THR 132 N 4.81 2.67 -3.17 5.32 5.66 -1.26 -4.37 114.28 123.93 2vhm n THR 132 Ca -0.16 -1.51 -0.19 0.00 -3.05 0.00 0.00 64.05 59.15 2vhm n THR 132 Cb 0.48 -2.11 -0.03 0.00 -1.55 0.00 0.00 70.33 67.12 2vhm n THR 132 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2vhm n LYS 133 N 3.46 1.14 -0.05 1.09 0.00 -1.26 -4.88 118.16 117.66 2vhm n LYS 133 Ca 0.45 -3.49 -0.07 0.00 0.00 0.00 0.00 58.31 55.21 2vhm n LYS 133 Cb 0.35 -1.75 -0.04 0.00 0.00 0.00 0.00 35.03 33.60 2vhm n LYS 133 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2vhm n THR 134 N 0.24 0.53 -3.54 3.15 -2.24 -1.26 -4.88 114.28 106.29 2vhm n THR 134 Ca 0.25 -0.20 -0.27 0.00 -2.27 0.00 0.00 64.05 61.56 2vhm n THR 134 Cb 0.64 -0.92 -0.11 0.00 -2.10 0.00 0.00 70.33 67.84 2vhm n THR 134 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2vhm n VAL 135 N -2.85 -0.35 -0.77 2.28 0.24 -1.26 -5.15 118.33 110.46 2vhm n VAL 135 Ca -0.17 -3.87 0.00 0.00 -2.04 0.00 0.00 64.34 58.27 2vhm n VAL 135 Cb 0.67 -1.82 0.00 0.00 -1.47 0.00 0.00 33.84 31.23 2vhm n VAL 135 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92