#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vhm n ILE 2 N 0.00 1.79 -0.33 1.12 2.08 -1.26 -4.54 119.36 118.22 2vhm n ILE 2 Ca 0.00 -2.37 0.24 0.00 0.56 0.00 0.00 62.75 61.18 2vhm n ILE 2 Cb 0.00 -0.15 0.53 0.00 -0.75 0.00 0.00 39.64 39.27 2vhm n ILE 2 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 2vhm h ARG 3 N 0.34 0.35 -5.13 0.38 1.12 -2.01 -3.43 114.38 106.00 2vhm h ARG 3 Ca -0.01 -0.02 -0.19 0.00 -1.11 0.00 0.00 59.98 58.65 2vhm h ARG 3 Cb 1.06 -0.08 -0.06 0.00 -0.01 0.00 0.00 29.97 30.88 2vhm h ARG 3 CO 0.00 0.23 1.15 -1.91 -3.11 0.00 0.00 179.97 176.33 2vhm n GLU 4 N -4.62 0.21 0.00 0.20 2.13 -1.26 -3.04 120.64 114.25 2vhm n GLU 4 Ca 0.26 -0.39 0.00 0.00 0.66 0.00 0.00 57.16 57.70 2vhm n GLU 4 Cb 0.93 -2.11 0.00 0.00 0.27 0.00 0.00 31.44 30.53 2vhm n GLU 4 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2vhm n GLU 5 N 6.74 0.00 -1.13 5.31 0.28 -1.26 -5.00 120.64 125.58 2vhm n GLU 5 Ca 0.55 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 57.49 2vhm n GLU 5 Cb 0.28 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.11 2vhm n GLU 5 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 2vhm n ARG 6 N 0.00 0.15 0.27 3.44 1.85 -1.20 -4.87 116.66 116.30 2vhm n ARG 6 Ca 0.00 -0.90 0.18 0.00 -1.00 0.00 0.00 57.85 56.14 2vhm n ARG 6 Cb 0.00 0.48 0.91 0.00 -1.05 0.00 0.00 32.46 32.81 2vhm n ARG 6 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2vhm h LEU 7 N 0.11 0.00 -0.94 2.89 5.85 -1.90 -2.36 115.31 118.96 2vhm h LEU 7 Ca -0.49 0.00 0.30 0.00 0.84 0.00 0.00 57.88 58.53 2vhm h LEU 7 Cb 1.29 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 42.15 2vhm h LEU 7 CO -0.24 0.00 0.16 0.00 -0.34 0.00 0.00 178.44 178.02 2vhm n LEU 8 N -2.85 0.02 -1.43 2.25 -0.00 -1.26 -3.65 117.00 110.08 2vhm n LEU 8 Ca -0.01 1.59 -0.02 0.00 -0.00 0.00 0.00 56.01 57.57 2vhm n LEU 8 Cb 0.13 -0.64 -0.01 0.00 -0.00 0.00 0.00 43.42 42.90 2vhm n LEU 8 CO 0.20 -1.66 0.23 1.17 -0.00 0.00 0.00 177.39 177.33 2vhm n LYS 9 N -5.32 0.21 -0.06 1.47 4.81 -0.91 -4.91 118.16 113.44 2vhm n LYS 9 Ca 0.26 -1.57 -0.10 0.00 -0.87 0.00 0.00 58.31 56.03 2vhm n LYS 9 Cb 0.87 0.17 -0.03 0.00 0.02 0.00 0.00 35.03 36.05 2vhm n LYS 9 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 2vhm h VAL 10 N 5.76 1.12 -0.20 3.15 -1.51 -1.56 -3.43 116.25 119.58 2vhm h VAL 10 Ca -0.40 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 2vhm h VAL 10 Cb 1.59 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 2vhm h VAL 10 CO -0.10 0.11 0.00 0.18 -1.23 0.00 0.00 177.57 176.53 2vhm n LEU 11 N -4.86 0.00 0.00 4.19 4.32 -1.26 -2.73 117.00 116.65 2vhm n LEU 11 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 2vhm n LEU 11 Cb 0.07 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 2vhm n LEU 11 CO 0.35 -0.45 0.00 -1.14 -1.22 0.00 0.00 177.39 174.92 2vhm n ARG 12 N -0.07 0.00 -3.41 3.23 0.63 -1.26 -4.44 116.66 111.33 2vhm n ARG 12 Ca 0.00 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.61 2vhm n ARG 12 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 2vhm n ARG 12 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2vhm s ALA 13 N -1.00 3.57 1.05 5.13 0.00 -1.26 -4.97 121.76 124.27 2vhm s ALA 13 Ca 0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 51.96 51.53 2vhm s ALA 13 Cb 0.00 -2.44 0.22 0.00 0.00 0.00 0.00 23.12 20.90 2vhm s ALA 13 CO 0.00 0.51 1.17 -2.14 0.00 0.00 0.00 175.76 175.29 2vhm s PRO 14 N -2.82 0.01 -0.15 0.00 0.02 -1.26 -1.05 135.00 129.75 2vhm s PRO 14 Ca 0.47 0.00 -0.01 0.00 0.02 0.00 0.00 61.00 61.48 2vhm s PRO 14 Cb -0.11 -1.73 -0.09 0.00 0.02 0.00 0.00 34.50 32.59 2vhm s PRO 14 CO 0.21 -2.90 -0.15 1.58 -0.33 0.00 0.00 177.00 175.41 2vhm n HIS 15 N -4.20 0.00 -1.83 6.54 -0.00 -1.26 -4.54 115.22 109.93 2vhm n HIS 15 Ca 0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.29 2vhm n HIS 15 Cb 0.59 -0.56 0.00 0.00 -0.12 0.00 0.00 29.99 29.90 2vhm n HIS 15 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 2vhm n VAL 16 N -3.15 -6.26 -2.19 3.57 3.14 -1.26 -5.03 118.33 107.14 2vhm n VAL 16 Ca -0.27 1.95 0.00 0.00 -2.96 0.00 0.00 64.34 63.05 2vhm n VAL 16 Cb 0.76 -2.96 0.00 0.00 -1.06 0.00 0.00 33.84 30.58 2vhm n VAL 16 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2vhm n SER 17 N 1.21 0.00 0.00 6.55 3.41 -1.26 -4.94 113.62 118.59 2vhm n SER 17 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2vhm n SER 17 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2vhm n SER 17 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2vhm n GLU 18 N 0.00 0.00 -0.29 4.33 -0.58 -1.26 -2.97 120.64 119.87 2vhm n GLU 18 Ca 0.00 0.55 0.11 0.00 -0.42 0.00 0.00 57.16 57.40 2vhm n GLU 18 Cb 0.00 -1.46 0.27 0.00 -0.57 0.00 0.00 31.44 29.69 2vhm n GLU 18 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2vhm h LYS 19 N 0.00 0.29 -7.07 3.49 1.79 -1.98 -3.36 116.57 109.74 2vhm h LYS 19 Ca 0.00 -0.02 -0.38 0.00 -2.18 0.00 0.00 60.65 58.07 2vhm h LYS 19 Cb 0.00 -0.06 0.21 0.00 -1.58 0.00 0.00 32.23 30.80 2vhm h LYS 19 CO 0.00 0.19 -0.10 0.00 -1.08 0.00 0.00 179.45 178.46 2vhm s ALA 20 N -5.94 -0.60 0.00 3.86 0.00 -1.16 -0.67 121.76 117.24 2vhm s ALA 20 Ca -0.12 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 50.95 2vhm s ALA 20 Cb 0.25 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.46 2vhm s ALA 20 CO 0.77 -4.56 0.00 0.43 0.00 0.00 0.00 175.76 172.40 2vhm n SER 21 N -5.61 0.00 0.01 0.00 7.64 -1.26 -3.52 113.62 110.88 2vhm n SER 21 Ca 0.14 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.08 2vhm n SER 21 Cb 0.60 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 64.11 2vhm n SER 21 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2vhm n THR 22 N 0.00 1.05 -0.15 0.44 -2.24 -1.20 0.14 114.28 112.32 2vhm n THR 22 Ca 0.00 0.27 -0.05 0.00 -2.27 0.00 0.00 64.05 62.00 2vhm n THR 22 Cb 0.00 -1.05 0.05 0.00 -2.10 0.00 0.00 70.33 67.23 2vhm n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vhm h ALA 23 N 2.45 0.59 0.00 6.98 0.00 -0.94 -3.14 119.26 125.20 2vhm h ALA 23 Ca 0.00 0.03 -0.63 0.00 0.00 0.00 0.00 54.91 54.32 2vhm h ALA 23 Cb 0.24 -0.03 0.06 0.00 0.00 0.00 0.00 17.79 18.06 2vhm h ALA 23 CO 0.00 -0.15 2.19 -1.33 0.00 0.00 0.00 179.25 179.96 2vhm n MET 24 N -4.93 1.33 0.00 0.00 2.81 0.12 -3.70 117.12 112.75 2vhm n MET 24 Ca 0.04 -1.71 0.00 0.00 -1.81 0.00 0.00 57.70 54.22 2vhm n MET 24 Cb 0.14 -2.84 0.00 0.00 -0.71 0.00 0.00 33.22 29.82 2vhm n MET 24 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2vhm n GLU 25 N 6.97 0.00 0.00 0.03 4.07 -1.19 -5.00 120.64 125.53 2vhm n GLU 25 Ca 0.49 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.59 2vhm n GLU 25 Cb 0.39 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.77 2vhm n GLU 25 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2vhm n LYS 26 N 0.00 0.00 -4.53 5.31 3.00 -1.26 -4.20 118.16 116.48 2vhm n LYS 26 Ca 0.00 0.13 -0.27 0.00 -0.00 0.00 0.00 58.31 58.18 2vhm n LYS 26 Cb 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 35.03 34.73 2vhm n LYS 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2vhm s SER 27 N -2.94 3.88 -0.27 3.14 0.15 -1.26 -4.97 113.70 111.43 2vhm s SER 27 Ca 0.00 -1.24 -0.03 0.00 0.70 0.00 0.00 55.95 55.38 2vhm s SER 27 Cb 0.00 -0.40 -0.08 0.00 -1.71 0.00 0.00 66.02 63.84 2vhm s SER 27 CO 0.00 -0.32 1.76 0.59 1.20 0.00 0.00 173.24 176.46 2vhm n ASN 28 N -0.90 2.67 -4.66 5.45 3.02 -1.26 -4.45 115.26 115.12 2vhm n ASN 28 Ca -0.05 -2.03 -0.43 0.00 -0.03 0.00 0.00 54.58 52.04 2vhm n ASN 28 Cb 0.65 -0.71 -0.02 0.00 -0.61 0.00 0.00 39.78 39.08 2vhm n ASN 28 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2vhm s THR 29 N 2.92 4.67 0.00 3.41 -4.23 -1.24 -2.62 115.64 118.55 2vhm s THR 29 Ca 0.27 2.01 0.00 0.00 -1.18 0.00 0.00 61.69 62.79 2vhm s THR 29 Cb 0.10 -4.30 0.00 0.00 1.34 0.00 0.00 72.50 69.65 2vhm s THR 29 CO -0.01 -0.16 0.00 0.00 -0.54 0.00 0.00 174.62 173.91 2vhm n ILE 30 N 5.24 0.00 0.00 2.99 3.06 -1.05 -3.59 119.36 126.00 2vhm n ILE 30 Ca 0.12 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.37 2vhm n ILE 30 Cb 0.46 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.64 2vhm n ILE 30 CO 0.00 0.00 0.00 1.33 -2.50 0.00 0.00 176.55 175.38 2vhm n VAL 31 N 0.00 0.00 -2.55 9.51 0.24 -1.25 -4.67 118.33 119.61 2vhm n VAL 31 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.26 2vhm n VAL 31 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 2vhm n VAL 31 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2vhm n LEU 32 N 0.00 -6.37 -4.56 1.34 4.32 -1.26 -3.88 117.00 106.59 2vhm n LEU 32 Ca 0.00 1.96 -0.28 0.00 -0.02 0.00 0.00 56.01 57.67 2vhm n LEU 32 Cb 0.00 -3.17 -0.05 0.00 -1.62 0.00 0.00 43.42 38.58 2vhm n LEU 32 CO 0.00 -3.60 1.52 -1.59 -1.22 0.00 0.00 177.39 172.49 2vhm s LYS 33 N -0.93 2.20 0.42 3.23 -2.85 -0.21 -3.26 119.74 118.35 2vhm s LYS 33 Ca -0.20 0.50 -0.21 0.00 -1.00 0.00 0.00 55.97 55.05 2vhm s LYS 33 Cb 0.01 -4.73 -0.11 0.00 -2.06 0.00 0.00 37.83 30.94 2vhm s LYS 33 CO 0.75 -3.52 0.95 0.08 0.10 0.00 0.00 175.35 173.71 2vhm s VAL 34 N 11.65 4.35 0.76 1.79 1.01 -1.05 -4.15 120.40 134.77 2vhm s VAL 34 Ca 0.82 1.51 -0.12 0.00 0.00 0.00 0.00 61.98 64.19 2vhm s VAL 34 Cb -0.12 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.68 2vhm s VAL 34 CO 0.12 -0.27 1.12 0.00 0.00 0.00 0.00 175.10 176.07 2vhm s ALA 35 N -2.12 2.17 0.40 5.51 0.00 -1.11 -4.33 121.76 122.27 2vhm s ALA 35 Ca 0.61 0.45 0.16 0.00 0.00 0.00 0.00 51.96 53.19 2vhm s ALA 35 Cb -0.10 -3.33 1.05 0.00 0.00 0.00 0.00 23.12 20.73 2vhm s ALA 35 CO 0.14 -1.82 1.81 0.87 0.00 0.00 0.00 175.76 176.76 2vhm h LYS 36 N -0.88 0.44 -3.17 0.00 1.57 -1.92 -3.19 116.57 109.40 2vhm h LYS 36 Ca -0.45 -0.03 -0.48 0.00 -1.87 0.00 0.00 60.65 57.83 2vhm h LYS 36 Cb 1.25 -0.10 0.02 0.00 0.08 0.00 0.00 32.23 33.48 2vhm h LYS 36 CO 0.50 0.29 2.93 -0.25 -0.57 0.00 0.00 179.45 182.35 2vhm n ASP 37 N -4.58 6.44 0.00 0.86 8.00 -1.26 -4.75 116.55 121.26 2vhm n ASP 37 Ca 0.22 -2.42 0.00 0.00 0.71 0.00 0.00 54.79 53.31 2vhm n ASP 37 Cb 0.76 -1.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 2vhm n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2vhm n ALA 38 N 3.84 0.00 -2.32 2.24 0.00 -1.21 -5.03 120.51 118.03 2vhm n ALA 38 Ca 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 54.00 2vhm n ALA 38 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.65 2vhm n ALA 38 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2vhm n THR 39 N -0.42-12.60 -0.41 0.00 -2.24 -1.26 -4.10 114.28 93.25 2vhm n THR 39 Ca 0.00 2.88 0.33 0.00 -2.27 0.00 0.00 64.05 64.99 2vhm n THR 39 Cb 0.00 -6.02 0.63 0.00 -2.10 0.00 0.00 70.33 62.84 2vhm n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2vhm h LYS 40 N 3.93 0.16 0.24 -0.78 6.56 -1.96 0.44 116.57 125.17 2vhm h LYS 40 Ca -0.13 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.44 2vhm h LYS 40 Cb 0.30 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.91 2vhm h LYS 40 CO 0.00 0.11 -0.23 0.00 -2.06 0.00 0.00 179.45 177.27 2vhm h ALA 41 N 1.55 -0.95 0.00 3.86 0.00 -1.99 1.41 119.26 123.14 2vhm h ALA 41 Ca 0.73 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.55 2vhm h ALA 41 Cb 2.27 0.45 0.00 0.00 0.00 0.00 0.00 17.79 20.52 2vhm h ALA 41 CO -0.31 -0.96 0.01 -1.91 0.00 0.00 0.00 179.25 176.08 2vhm n GLU 42 N -3.71 0.00 -0.03 0.00 2.13 0.15 -1.96 120.64 117.21 2vhm n GLU 42 Ca -0.06 0.02 -0.04 0.00 0.66 0.00 0.00 57.16 57.74 2vhm n GLU 42 Cb 0.21 -1.51 -0.02 0.00 0.27 0.00 0.00 31.44 30.39 2vhm n GLU 42 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2vhm n ILE 43 N -0.90 0.30 -0.21 6.31 2.08 -0.53 -4.16 119.36 122.25 2vhm n ILE 43 Ca 0.00 -0.11 -0.07 0.00 0.56 0.00 0.00 62.75 63.13 2vhm n ILE 43 Cb 0.01 -0.84 0.06 0.00 -0.75 0.00 0.00 39.64 38.12 2vhm n ILE 43 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 2vhm h LYS 44 N -0.03 1.05 0.04 0.38 3.64 0.25 -3.14 116.57 118.77 2vhm h LYS 44 Ca -0.12 -0.29 -0.30 0.00 -1.27 0.00 0.00 60.65 58.66 2vhm h LYS 44 Cb 1.17 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 2vhm h LYS 44 CO -0.03 0.99 -1.71 0.00 -2.27 0.00 0.00 179.45 176.43 2vhm h ALA 45 N 1.08 0.61 0.00 5.00 0.00 -1.74 -3.18 119.26 121.04 2vhm h ALA 45 Ca 0.19 -1.37 0.00 0.00 0.00 0.00 0.00 54.91 53.73 2vhm h ALA 45 Cb 0.47 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2vhm h ALA 45 CO 0.02 1.45 0.00 0.00 0.00 0.00 0.00 179.25 180.72 2vhm n ALA 46 N -2.65 2.06 -1.11 0.00 0.00 -1.20 -1.87 120.51 115.74 2vhm n ALA 46 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2vhm n ALA 46 Cb 1.04 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 2vhm n ALA 46 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2vhm n VAL 47 N -0.42 0.00 -0.08 0.00 3.14 -1.19 -4.69 118.33 115.08 2vhm n VAL 47 Ca 0.00 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.28 2vhm n VAL 47 Cb 0.02 1.18 -0.11 0.00 -1.06 0.00 0.00 33.84 33.87 2vhm n VAL 47 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2vhm n GLN 48 N 0.00 1.11 -1.33 1.45 10.64 -1.13 -3.00 117.38 125.12 2vhm n GLN 48 Ca 0.00 0.04 -0.23 0.00 -1.83 0.00 0.00 57.00 54.98 2vhm n GLN 48 Cb 0.19 -1.39 -0.07 0.00 -0.86 0.00 0.00 30.24 28.12 2vhm n GLN 48 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2vhm n LYS 49 N -2.76 2.25 0.00 2.61 5.02 -0.78 -3.14 118.16 121.36 2vhm n LYS 49 Ca -0.29 -2.01 0.00 0.00 -2.02 0.00 0.00 58.31 53.99 2vhm n LYS 49 Cb 0.94 -2.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 2vhm n LYS 49 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2vhm n LEU 50 N 1.09 0.00 -0.87 -0.35 7.94 -1.26 -4.91 117.00 118.64 2vhm n LEU 50 Ca 0.45 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 55.44 2vhm n LEU 50 Cb 0.61 0.00 0.18 0.00 0.53 0.00 0.00 43.42 44.74 2vhm n LEU 50 CO 0.30 0.00 0.64 0.49 -1.11 0.00 0.00 177.39 177.70 2vhm n PHE 51 N -0.59 0.47 -2.93 1.96 3.01 -1.16 -4.97 117.46 113.25 2vhm n PHE 51 Ca 0.00 -0.34 -0.22 0.00 1.01 0.00 0.00 57.45 57.91 2vhm n PHE 51 Cb 0.00 -0.01 0.02 0.00 -0.01 0.00 0.00 39.48 39.48 2vhm n PHE 51 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2vhm n GLU 52 N 1.01 -3.93 -4.76 -1.08 1.02 -1.19 -4.98 120.64 106.73 2vhm n GLU 52 Ca 0.15 0.84 -0.27 0.00 -0.02 0.00 0.00 57.16 57.86 2vhm n GLU 52 Cb 0.49 -5.63 -0.17 0.00 -0.02 0.00 0.00 31.44 26.11 2vhm n GLU 52 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2vhm s VAL 53 N -3.08 1.45 -0.46 2.62 -7.23 -1.22 -5.10 120.40 107.38 2vhm s VAL 53 Ca 0.25 -0.66 -0.29 0.00 -1.81 0.00 0.00 61.98 59.47 2vhm s VAL 53 Cb -0.11 -1.29 0.03 0.00 0.56 0.00 0.00 36.38 35.56 2vhm s VAL 53 CO 0.30 0.42 1.20 -1.61 -0.31 0.00 0.00 175.10 175.11 2vhm s GLU 54 N 0.60 3.69 0.15 4.82 2.02 -1.26 -4.47 118.70 124.25 2vhm s GLU 54 Ca -0.15 0.64 0.03 0.00 0.02 0.00 0.00 54.97 55.51 2vhm s GLU 54 Cb -0.16 -3.94 -0.03 0.00 0.10 0.00 0.00 34.13 30.10 2vhm s GLU 54 CO 0.05 -1.43 0.28 0.08 0.02 0.00 0.00 175.26 174.26 2vhm s VAL 55 N 4.69 5.29 -0.15 2.63 1.01 -1.26 -3.85 120.40 128.76 2vhm s VAL 55 Ca 0.51 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 2vhm s VAL 55 Cb -0.08 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 2vhm s VAL 55 CO 0.32 -0.10 -0.16 -0.62 0.00 0.00 0.00 175.10 174.54 2vhm n GLU 56 N -0.58 0.36 -3.64 2.72 1.02 -1.14 -4.99 120.64 114.41 2vhm n GLU 56 Ca -0.07 0.11 -0.10 0.00 -0.02 0.00 0.00 57.16 57.08 2vhm n GLU 56 Cb 0.54 -1.22 -0.04 0.00 -0.02 0.00 0.00 31.44 30.71 2vhm n GLU 56 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2vhm s VAL 57 N -2.30 0.04 0.28 2.62 -7.23 -1.26 -5.01 120.40 107.53 2vhm s VAL 57 Ca -0.21 -0.55 0.04 0.00 -1.81 0.00 0.00 61.98 59.45 2vhm s VAL 57 Cb 0.06 -1.30 -0.06 0.00 0.56 0.00 0.00 36.38 35.65 2vhm s VAL 57 CO 0.32 -0.18 0.03 -0.69 -0.31 0.00 0.00 175.10 174.27 2vhm s VAL 58 N -3.82 1.11 0.09 1.32 1.01 -1.26 -1.04 120.40 117.81 2vhm s VAL 58 Ca 0.05 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 60.01 2vhm s VAL 58 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.80 2vhm s VAL 58 CO -0.09 -0.14 0.00 0.59 0.00 0.00 0.00 175.10 175.46 2vhm n ASN 59 N -0.56 -0.04 -0.97 3.32 3.02 -1.26 -4.73 115.26 114.04 2vhm n ASN 59 Ca -0.03 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 2vhm n ASN 59 Cb 0.65 0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.94 2vhm n ASN 59 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2vhm n THR 60 N -2.83 -2.39 -0.12 3.41 -2.24 -1.26 -4.88 114.28 103.97 2vhm n THR 60 Ca 0.00 1.09 0.00 0.00 -2.27 0.00 0.00 64.05 62.87 2vhm n THR 60 Cb 0.02 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 66.57 2vhm n THR 60 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2vhm n LEU 61 N -1.79 0.00 0.00 3.22 4.77 0.60 -4.94 117.00 118.87 2vhm n LEU 61 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2vhm n LEU 61 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2vhm n LEU 61 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.39 177.39 2vhm n VAL 62 N 0.00 0.00 -0.99 4.08 0.24 -1.26 -4.55 118.33 115.85 2vhm n VAL 62 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.37 2vhm n VAL 62 Cb 0.00 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.33 2vhm n VAL 62 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2vhm n VAL 63 N -1.76 -1.17 -3.97 3.34 0.31 -1.26 -3.26 118.33 110.56 2vhm n VAL 63 Ca 0.00 0.77 -0.10 0.00 -0.01 0.00 0.00 64.34 65.01 2vhm n VAL 63 Cb 0.00 -1.22 -0.07 0.00 -0.91 0.00 0.00 33.84 31.64 2vhm n VAL 63 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2vhm s LYS 64 N -4.32 1.28 0.00 5.55 3.01 -1.26 -3.96 119.74 120.04 2vhm s LYS 64 Ca 0.00 -1.21 0.00 0.00 -1.01 0.00 0.00 55.97 53.75 2vhm s LYS 64 Cb 0.00 0.40 0.00 0.00 -1.01 0.00 0.00 37.83 37.22 2vhm s LYS 64 CO 0.00 -0.49 0.00 0.41 0.51 0.00 0.00 175.35 175.78 2vhm n GLY 65 N -0.28 5.17 0.00 -3.33 0.00 -1.26 -4.92 105.19 100.57 2vhm n GLY 65 Ca -0.05 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.91 2vhm n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2vhm n LYS 66 N -0.07 0.00 -1.60 1.61 3.00 -1.26 -4.75 118.16 115.10 2vhm n LYS 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2vhm n LYS 66 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2vhm n LYS 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2vhm n VAL 67 N 0.00 0.00 -4.46 3.15 0.31 -1.19 -5.02 118.33 111.13 2vhm n VAL 67 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.10 2vhm n VAL 67 Cb 0.00 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.80 2vhm n VAL 67 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2vhm s LYS 68 N -1.40 1.17 -0.21 5.55 0.00 -1.26 -2.65 119.74 120.94 2vhm s LYS 68 Ca 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 55.97 54.74 2vhm s LYS 68 Cb 0.00 -1.28 0.15 0.00 0.00 0.00 0.00 37.83 36.70 2vhm s LYS 68 CO 0.00 0.32 1.14 0.50 0.00 0.00 0.00 175.35 177.30 2vhm s ARG 69 N -1.36 0.39 0.00 1.78 3.00 -1.26 -4.80 118.95 116.70 2vhm s ARG 69 Ca 0.05 0.11 0.00 0.00 -1.00 0.00 0.00 55.73 54.89 2vhm s ARG 69 Cb -0.09 0.18 0.00 0.00 0.00 0.00 0.00 34.95 35.04 2vhm s ARG 69 CO 0.02 -0.12 0.00 1.58 0.00 0.00 0.00 175.30 176.78 2vhm n HIS 70 N 0.71 0.00 0.27 5.12 -0.00 -1.26 -1.56 115.22 118.50 2vhm n HIS 70 Ca -0.07 0.00 0.15 0.00 0.46 0.00 0.00 57.72 58.27 2vhm n HIS 70 Cb 0.58 0.00 0.67 0.00 -0.12 0.00 0.00 29.99 31.12 2vhm n HIS 70 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 2vhm h GLY 71 N 0.00 0.00 0.00 1.57 0.00 -2.03 -3.43 103.07 99.18 2vhm h GLY 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2vhm h GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 2vhm n GLN 72 N -3.25 0.00 -3.36 4.80 6.02 -1.26 -5.11 117.38 115.23 2vhm n GLN 72 Ca -0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.85 2vhm n GLN 72 Cb 0.31 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.49 2vhm n GLN 72 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2vhm s ARG 73 N 1.05 0.37 0.00 -1.09 1.70 -1.26 -4.96 118.95 114.75 2vhm s ARG 73 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.23 2vhm s ARG 73 Cb 0.00 -0.50 0.00 0.00 -0.57 0.00 0.00 34.95 33.88 2vhm s ARG 73 CO 0.00 -1.03 0.00 -0.89 -1.08 0.00 0.00 175.30 172.30 2vhm n ILE 74 N 5.32 0.00 0.00 4.99 5.41 -1.23 -4.97 119.36 128.88 2vhm n ILE 74 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 2vhm n ILE 74 Cb 0.48 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.41 2vhm n ILE 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2vhm n GLY 75 N 2.88 -0.55 0.00 7.39 0.00 -0.60 -4.40 105.19 109.91 2vhm n GLY 75 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 2vhm n GLY 75 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2vhm n ARG 76 N 0.65 0.00 0.00 1.61 0.63 -1.08 -4.85 116.66 113.61 2vhm n ARG 76 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2vhm n ARG 76 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2vhm n ARG 76 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2vhm n ARG 77 N 0.00 3.50 0.03 -0.14 0.63 -1.26 -3.14 116.66 116.29 2vhm n ARG 77 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2vhm n ARG 77 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2vhm n ARG 77 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2vhm n SER 78 N 0.00 -0.60 -1.54 6.15 7.64 -1.26 -4.64 113.62 119.37 2vhm n SER 78 Ca 0.00 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2vhm n SER 78 Cb 0.00 0.84 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 2vhm n SER 78 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2vhm n ASP 79 N -2.53 -8.29 -2.88 6.43 10.43 -1.26 -4.97 116.55 113.48 2vhm n ASP 79 Ca 0.00 1.59 -0.11 0.00 2.57 0.00 0.00 54.79 58.83 2vhm n ASP 79 Cb 0.00 -4.81 0.01 0.00 1.84 0.00 0.00 41.12 38.15 2vhm n ASP 79 CO 0.00 0.00 0.00 1.87 -1.07 0.00 0.00 177.20 178.00 2vhm n TRP 80 N -1.92 -2.05 -3.30 1.24 -0.00 -1.25 -4.99 117.44 105.16 2vhm n TRP 80 Ca 0.00 -2.07 0.03 0.00 -0.00 0.00 0.00 57.50 55.46 2vhm n TRP 80 Cb 0.28 0.80 -0.03 0.00 -0.00 0.00 0.00 31.31 32.36 2vhm n TRP 80 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 2vhm s LYS 81 N -2.36 0.22 0.14 5.87 2.20 -1.20 -4.76 119.74 119.85 2vhm s LYS 81 Ca 0.21 0.52 -0.07 0.00 -0.36 0.00 0.00 55.97 56.27 2vhm s LYS 81 Cb -0.03 0.31 -0.06 0.00 -1.51 0.00 0.00 37.83 36.54 2vhm s LYS 81 CO 0.15 -0.11 0.40 0.15 -0.36 0.00 0.00 175.35 175.59 2vhm s LYS 82 N 2.47 3.68 0.21 4.03 1.02 -1.26 -2.54 119.74 127.35 2vhm s LYS 82 Ca -0.01 0.02 0.09 0.00 0.02 0.00 0.00 55.97 56.09 2vhm s LYS 82 Cb -0.06 -2.86 -0.05 0.00 -0.52 0.00 0.00 37.83 34.35 2vhm s LYS 82 CO -0.16 0.47 -0.18 0.00 -0.92 0.00 0.00 175.35 174.56 2vhm s ALA 83 N -1.61 2.22 -0.02 5.17 0.00 -1.20 -0.29 121.76 126.03 2vhm s ALA 83 Ca 0.40 -1.65 -0.04 0.00 0.00 0.00 0.00 51.96 50.68 2vhm s ALA 83 Cb -0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 2vhm s ALA 83 CO 0.22 0.21 -0.07 0.66 0.00 0.00 0.00 175.76 176.78 2vhm n TYR 84 N -0.14 0.00 -1.32 0.00 4.02 -1.26 -4.32 117.16 114.15 2vhm n TYR 84 Ca -0.10 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.91 2vhm n TYR 84 Cb 0.59 -0.10 -0.06 0.00 -0.02 0.00 0.00 39.34 39.75 2vhm n TYR 84 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2vhm n VAL 85 N -3.03 -1.34 -4.17 -0.72 0.24 -1.25 -2.94 118.33 105.12 2vhm n VAL 85 Ca -0.03 0.98 -0.11 0.00 -2.04 0.00 0.00 64.34 63.14 2vhm n VAL 85 Cb 0.10 -1.53 -0.04 0.00 -1.47 0.00 0.00 33.84 30.90 2vhm n VAL 85 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2vhm n THR 86 N -3.65 0.00 0.00 3.34 -2.24 -0.21 -2.53 114.28 109.00 2vhm n THR 86 Ca -0.06 -1.40 0.00 0.00 -2.27 0.00 0.00 64.05 60.31 2vhm n THR 86 Cb 0.56 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 2vhm n THR 86 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2vhm n LEU 87 N 0.00 0.00 -3.65 3.22 7.99 -1.08 -3.97 117.00 119.52 2vhm n LEU 87 Ca 0.04 0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 56.02 2vhm n LEU 87 Cb 0.35 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.59 2vhm n LEU 87 CO 0.18 0.00 0.92 -0.54 -1.51 0.00 0.00 177.39 176.45 2vhm s LYS 88 N 2.47 0.20 0.00 3.23 1.02 -1.25 -2.87 119.74 122.54 2vhm s LYS 88 Ca 0.00 0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.28 2vhm s LYS 88 Cb 0.00 0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.37 2vhm s LYS 88 CO 0.00 -0.03 0.04 -0.85 -0.92 0.00 0.00 175.35 173.59 2vhm n GLU 89 N 2.75 0.03 0.00 1.68 0.00 -1.26 -3.55 120.64 120.29 2vhm n GLU 89 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.01 2vhm n GLU 89 Cb 0.57 -1.48 0.00 0.00 0.00 0.00 0.00 31.44 30.52 2vhm n GLU 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2vhm n GLY 90 N 1.35 -0.01 3.79 -1.84 0.00 -1.26 -5.07 105.19 102.16 2vhm n GLY 90 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2vhm n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2vhm s GLN 91 N 0.00 3.50 0.00 1.61 1.11 -1.23 -5.08 119.66 119.57 2vhm s GLN 91 Ca 0.00 1.41 0.00 0.00 0.01 0.00 0.00 55.36 56.78 2vhm s GLN 91 Cb 0.00 -2.04 0.00 0.00 -1.01 0.00 0.00 33.01 29.96 2vhm s GLN 91 CO 0.00 -0.69 0.00 0.09 0.01 0.00 0.00 175.29 174.70 2vhm n ASN 92 N -1.37 0.55 0.00 5.90 4.13 -1.26 -4.91 115.26 118.31 2vhm n ASN 92 Ca 0.10 -0.26 0.02 0.00 1.68 0.00 0.00 54.58 56.12 2vhm n ASN 92 Cb 0.52 0.00 0.11 0.00 -1.54 0.00 0.00 39.78 38.87 2vhm n ASN 92 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2vhm n LEU 93 N 0.00 0.00 0.00 3.41 7.99 -1.26 -4.87 117.00 122.28 2vhm n LEU 93 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 56.01 56.25 2vhm n LEU 93 Cb 0.00 -0.25 0.00 0.00 -0.11 0.00 0.00 43.42 43.06 2vhm n LEU 93 CO 0.00 -0.22 0.00 0.47 -1.51 0.00 0.00 177.39 176.13 2vhm n ASP 94 N -1.25 0.00 -3.50 -1.43 8.00 -1.26 -4.05 116.55 113.06 2vhm n ASP 94 Ca 0.02 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.37 2vhm n ASP 94 Cb 0.03 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.01 2vhm n ASP 94 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2vhm s PHE 95 N 0.00 -0.44 0.10 1.24 5.36 -1.26 -5.15 117.98 117.82 2vhm s PHE 95 Ca 0.00 0.55 -0.04 0.00 -0.96 0.00 0.00 56.93 56.48 2vhm s PHE 95 Cb 0.00 -0.19 0.01 0.00 -0.34 0.00 0.00 43.02 42.50 2vhm s PHE 95 CO 0.00 -0.57 0.20 1.55 -1.46 0.00 0.00 175.22 174.94 2vhm n VAL 96 N 5.34 0.00 -3.64 3.12 3.14 -1.26 -5.17 118.33 119.87 2vhm n VAL 96 Ca -0.05 -0.24 -0.16 0.00 -2.96 0.00 0.00 64.34 60.93 2vhm n VAL 96 Cb 0.50 0.24 -0.14 0.00 -1.06 0.00 0.00 33.84 33.38 2vhm n VAL 96 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2vhm s GLY 97 N -1.55 -0.02 0.05 7.55 0.00 -1.26 -5.17 107.32 106.93 2vhm s GLY 97 Ca 0.04 0.65 -0.00 0.00 0.00 0.00 0.00 44.72 45.41 2vhm s GLY 97 CO 0.03 1.87 -0.04 -0.32 0.00 0.00 0.00 173.10 174.64 2vhm s GLY 98 N 2.35 0.46 0.00 0.20 0.00 -1.26 -5.13 107.32 103.94 2vhm s GLY 98 Ca 0.03 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.71 2vhm s GLY 98 CO -0.08 -1.14 0.00 0.00 0.00 0.00 0.00 173.10 171.88 2vhm n ALA 99 N 0.56 0.00 0.00 3.20 0.00 -1.26 -5.31 120.51 117.70 2vhm n ALA 99 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2vhm n ALA 99 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2vhm n ALA 99 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59