#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rbm s ARG 2 N 0.00 4.34 -0.06 0.00 0.52 -1.26 -0.92 118.95 121.57 1rbm s ARG 2 Ca 0.00 0.51 0.06 0.00 -0.52 0.00 0.00 55.73 55.77 1rbm s ARG 2 Cb 0.00 -3.45 -0.01 0.00 0.52 0.00 0.00 34.95 32.01 1rbm s ARG 2 CO 0.00 0.12 -0.24 0.08 0.02 0.00 0.00 175.30 175.28 1rbm s VAL 3 N 0.73 2.00 -0.06 3.52 1.01 0.71 -0.18 120.40 128.13 1rbm s VAL 3 Ca 0.27 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1rbm s VAL 3 Cb -0.15 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1rbm s VAL 3 CO 0.11 0.55 0.09 0.00 0.00 0.00 0.00 175.10 175.86 1rbm s ALA 4 N -0.07 3.66 -0.13 5.51 0.00 -0.13 -0.88 121.76 129.72 1rbm s ALA 4 Ca -0.06 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.16 1rbm s ALA 4 Cb -0.14 -1.72 0.01 0.00 0.00 0.00 0.00 23.12 21.27 1rbm s ALA 4 CO 0.04 0.65 -0.22 0.08 0.00 0.00 0.00 175.76 176.32 1rbm s VAL 5 N -1.09 2.00 -0.06 0.00 1.01 -0.87 -0.25 120.40 121.15 1rbm s VAL 5 Ca 0.19 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 1rbm s VAL 5 Cb -0.12 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1rbm s VAL 5 CO 0.09 0.54 0.19 -0.76 0.00 0.00 0.00 175.10 175.16 1rbm s LEU 6 N 0.75 4.39 0.16 3.92 1.43 -0.10 -1.26 118.68 127.97 1rbm s LEU 6 Ca -0.09 0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 53.45 1rbm s LEU 6 Cb -0.16 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 1rbm s LEU 6 CO -0.00 0.34 0.17 0.27 0.23 0.00 0.00 176.35 177.35 1rbm s ILE 7 N -1.16 0.06 0.00 -0.59 -4.36 -0.40 -1.24 121.20 113.51 1rbm s ILE 7 Ca 0.21 -1.74 0.00 0.00 -0.26 0.00 0.00 60.65 58.86 1rbm s ILE 7 Cb -0.13 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.49 1rbm s ILE 7 CO 0.11 -0.28 0.32 -1.20 0.24 0.00 0.00 174.94 174.12 1rbm n SER 8 N -0.19 0.00 0.00 4.36 7.64 -1.07 -3.11 113.62 121.25 1rbm n SER 8 Ca -0.04 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.84 1rbm n SER 8 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 1rbm n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rbm n GLY 9 N 0.00 3.70 0.25 0.23 0.00 -1.26 -4.81 105.19 103.30 1rbm n GLY 9 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.84 1rbm n GLY 9 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1rbm h THR 10 N 0.00 0.77 0.00 2.61 2.02 -1.93 -0.93 112.91 115.45 1rbm h THR 10 Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1rbm h THR 10 Cb 0.00 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1rbm h THR 10 CO 0.00 0.08 0.00 0.61 0.37 0.00 0.00 175.52 176.58 1rbm n GLY 11 N -1.30 0.59 0.33 2.16 0.00 -1.26 -1.65 105.19 104.06 1rbm n GLY 11 Ca 0.10 -0.74 0.01 0.00 0.00 0.00 0.00 46.02 45.38 1rbm n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rbm h SER 12 N 0.00 0.75 -0.33 1.61 4.64 -1.93 -0.34 113.55 117.95 1rbm h SER 12 Ca 0.00 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.24 1rbm h SER 12 Cb 0.04 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1rbm h SER 12 CO 0.00 0.58 0.07 0.78 -0.87 0.00 0.00 176.83 177.39 1rbm h ASN 13 N 0.87 0.51 -0.65 4.97 2.35 -1.93 -2.67 115.58 119.04 1rbm h ASN 13 Ca 0.23 -0.25 0.14 0.00 -0.55 0.00 0.00 56.30 55.87 1rbm h ASN 13 Cb -0.03 -0.14 -0.12 0.00 0.05 0.00 0.00 38.32 38.09 1rbm h ASN 13 CO -0.04 0.63 -0.05 0.25 -1.65 0.00 0.00 177.43 176.56 1rbm h LEU 14 N 0.38 -0.40 -0.50 1.61 6.46 -1.66 -1.86 115.31 119.34 1rbm h LEU 14 Ca 0.10 0.18 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 1rbm h LEU 14 Cb 0.32 0.33 -0.02 0.00 -0.73 0.00 0.00 40.66 40.56 1rbm h LEU 14 CO 0.00 -0.16 0.33 -0.61 -0.62 0.00 0.00 178.44 177.38 1rbm h GLN 15 N 0.07 0.66 -0.48 1.25 5.75 -0.89 0.75 115.11 122.22 1rbm h GLN 15 Ca 0.34 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.76 1rbm h GLN 15 Cb 0.55 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 1rbm h GLN 15 CO -0.60 0.45 0.16 0.00 -2.65 0.00 0.00 178.83 176.18 1rbm h ALA 16 N 1.18 1.38 -0.46 3.38 0.00 -1.13 -1.34 119.26 122.26 1rbm h ALA 16 Ca 0.18 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1rbm h ALA 16 Cb -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1rbm h ALA 16 CO -0.04 0.46 -0.13 -0.07 0.00 0.00 0.00 179.25 179.47 1rbm h LEU 17 N 0.69 0.91 0.51 0.00 3.38 -0.46 -1.64 115.31 118.70 1rbm h LEU 17 Ca 0.16 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1rbm h LEU 17 Cb 0.20 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1rbm h LEU 17 CO -0.01 1.07 -0.28 0.40 0.09 0.00 0.00 178.44 179.72 1rbm h ILE 18 N 0.74 0.43 -0.45 1.22 2.04 -0.55 -0.12 117.51 120.82 1rbm h ILE 18 Ca 0.11 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.05 1rbm h ILE 18 Cb 0.69 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 37.13 1rbm h ILE 18 CO 0.05 0.00 0.05 0.44 0.00 0.00 0.00 178.15 178.69 1rbm h ASP 19 N -0.73 -0.07 -0.26 1.72 3.32 -1.26 -2.88 116.42 116.26 1rbm h ASP 19 Ca -0.06 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1rbm h ASP 19 Cb 0.58 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1rbm h ASP 19 CO 0.09 -0.01 0.11 -1.28 -1.72 0.00 0.00 179.24 176.43 1rbm h SER 20 N 0.18 0.36 0.26 6.45 0.87 -1.21 -2.64 113.55 117.81 1rbm h SER 20 Ca 0.22 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1rbm h SER 20 Cb 0.31 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1rbm h SER 20 CO -0.33 0.41 0.00 0.35 -0.53 0.00 0.00 176.83 176.74 1rbm n THR 21 N -4.78 1.23 0.70 2.23 -2.24 -0.07 -2.04 114.28 109.30 1rbm n THR 21 Ca -0.03 0.47 0.09 0.00 -2.27 0.00 0.00 64.05 62.31 1rbm n THR 21 Cb 0.12 -1.41 0.07 0.00 -2.10 0.00 0.00 70.33 67.01 1rbm n THR 21 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rbm n ARG 22 N -1.93 1.38 -1.33 -0.78 1.74 -1.01 -4.72 116.66 110.00 1rbm n ARG 22 Ca 0.01 -1.53 -0.31 0.00 -0.77 0.00 0.00 57.85 55.25 1rbm n ARG 22 Cb 0.10 -1.33 0.09 0.00 -1.02 0.00 0.00 32.46 30.29 1rbm n ARG 22 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1rbm s GLU 23 N -1.41 2.30 0.46 5.56 0.41 -0.87 -4.99 118.70 120.15 1rbm s GLU 23 Ca 0.20 1.23 -0.23 0.00 -0.41 0.00 0.00 54.97 55.77 1rbm s GLU 23 Cb 0.14 -1.90 -0.07 0.00 -1.78 0.00 0.00 34.13 30.52 1rbm s GLU 23 CO 0.21 -1.62 1.15 -1.25 -0.49 0.00 0.00 175.26 173.26 1rbm s PRO 24 N -4.73 3.77 -0.63 0.39 0.04 -1.26 -3.40 135.00 129.18 1rbm s PRO 24 Ca 0.63 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1rbm s PRO 24 Cb -0.18 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1rbm s PRO 24 CO 0.53 -0.53 0.00 0.09 0.04 0.00 0.00 177.00 177.13 1rbm n ASN 25 N -0.52 -3.38 -4.74 6.66 3.02 -1.26 -5.01 115.26 110.02 1rbm n ASN 25 Ca 0.07 0.11 -0.41 0.00 -0.03 0.00 0.00 54.58 54.32 1rbm n ASN 25 Cb 0.49 -1.81 -0.03 0.00 -0.61 0.00 0.00 39.78 37.82 1rbm n ASN 25 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1rbm s SER 26 N -2.87 6.95 0.00 6.41 0.15 -1.22 -4.95 113.70 118.17 1rbm s SER 26 Ca 0.00 2.37 0.27 0.00 0.70 0.00 0.00 55.95 59.29 1rbm s SER 26 Cb 0.00 -2.61 0.92 0.00 -1.71 0.00 0.00 66.02 62.62 1rbm s SER 26 CO 0.00 -0.48 1.67 -1.20 1.20 0.00 0.00 173.24 174.43 1rbm n SER 27 N 2.43 1.69 -4.10 5.45 7.64 -1.26 -4.94 113.62 120.54 1rbm n SER 27 Ca 0.05 -1.58 -0.14 0.00 1.01 0.00 0.00 58.87 58.21 1rbm n SER 27 Cb 0.43 -0.02 -0.11 0.00 -1.01 0.00 0.00 64.21 63.50 1rbm n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rbm s ALA 28 N -1.96 0.74 -0.02 -0.43 0.00 -1.26 0.17 121.76 119.00 1rbm s ALA 28 Ca 0.36 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.47 1rbm s ALA 28 Cb 0.20 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1rbm s ALA 28 CO 0.32 0.00 -0.07 1.14 0.00 0.00 0.00 175.76 177.16 1rbm s GLN 29 N -1.81 0.66 -0.32 0.00 -2.07 -0.09 -4.73 119.66 111.29 1rbm s GLN 29 Ca -0.06 -0.22 -0.21 0.00 -1.82 0.00 0.00 55.36 53.04 1rbm s GLN 29 Cb -0.09 -0.64 -0.00 0.00 -1.09 0.00 0.00 33.01 31.19 1rbm s GLN 29 CO 0.00 0.09 0.69 0.42 -1.32 0.00 0.00 175.29 175.18 1rbm s ILE 30 N 0.12 4.87 -0.06 3.63 1.01 -1.26 -0.21 121.20 129.30 1rbm s ILE 30 Ca -0.01 0.91 0.12 0.00 0.00 0.00 0.00 60.65 61.66 1rbm s ILE 30 Cb -0.06 -4.08 -0.18 0.00 0.01 0.00 0.00 42.46 38.16 1rbm s ILE 30 CO -0.00 -0.23 0.18 0.47 0.00 0.00 0.00 174.94 175.36 1rbm n ASP 31 N 6.06 2.10 -3.80 3.58 8.00 -0.05 -4.93 116.55 127.50 1rbm n ASP 31 Ca 0.01 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.38 1rbm n ASP 31 Cb 0.48 1.25 -0.10 0.00 -0.02 0.00 0.00 41.12 42.74 1rbm n ASP 31 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1rbm s ILE 32 N -2.64 0.03 -0.10 0.53 1.10 -1.22 -4.18 121.20 114.73 1rbm s ILE 32 Ca -0.05 -0.28 0.02 0.00 -0.51 0.00 0.00 60.65 59.82 1rbm s ILE 32 Cb 0.06 -0.45 0.01 0.00 0.15 0.00 0.00 42.46 42.24 1rbm s ILE 32 CO 0.51 -0.15 -0.15 -0.69 -2.11 0.00 0.00 174.94 172.35 1rbm s VAL 33 N -0.59 1.43 -0.12 4.00 1.01 -0.83 -2.04 120.40 123.26 1rbm s VAL 33 Ca -0.07 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1rbm s VAL 33 Cb -0.04 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 35.03 1rbm s VAL 33 CO 0.02 0.43 -0.22 -0.63 0.00 0.00 0.00 175.10 174.69 1rbm s ILE 34 N 0.97 2.14 0.03 2.22 1.01 -0.39 -1.48 121.20 125.71 1rbm s ILE 34 Ca -0.07 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.64 1rbm s ILE 34 Cb -0.15 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1rbm s ILE 34 CO -0.01 0.55 -0.07 -0.55 0.00 0.00 0.00 174.94 174.86 1rbm s SER 35 N 0.51 4.61 0.00 3.58 0.15 0.29 -1.28 113.70 121.56 1rbm s SER 35 Ca -0.14 -0.20 0.27 0.00 0.70 0.00 0.00 55.95 56.58 1rbm s SER 35 Cb -0.17 -1.04 0.83 0.00 -1.71 0.00 0.00 66.02 63.93 1rbm s SER 35 CO 0.05 0.25 1.61 -0.46 1.20 0.00 0.00 173.24 175.89 1rbm n ASN 36 N 1.29 0.87 -4.11 5.45 2.04 -1.18 -0.53 115.26 119.09 1rbm n ASN 36 Ca -0.15 -0.77 -0.23 0.00 -0.44 0.00 0.00 54.58 53.00 1rbm n ASN 36 Cb 0.52 0.10 -0.15 0.00 -2.53 0.00 0.00 39.78 37.72 1rbm n ASN 36 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1rbm s LYS 37 N -2.54 1.28 0.61 -3.83 1.02 -1.26 -3.67 119.74 111.35 1rbm s LYS 37 Ca 0.24 -0.52 -0.17 0.00 0.02 0.00 0.00 55.97 55.54 1rbm s LYS 37 Cb 0.19 -1.21 -0.02 0.00 -0.52 0.00 0.00 37.83 36.27 1rbm s LYS 37 CO 0.52 0.29 1.12 0.00 -0.92 0.00 0.00 175.35 176.37 1rbm s ALA 38 N -0.23 2.55 -1.37 5.17 0.00 -1.26 -4.31 121.76 122.31 1rbm s ALA 38 Ca 0.03 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1rbm s ALA 38 Cb -0.07 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1rbm s ALA 38 CO -0.00 -1.09 0.00 0.00 0.00 0.00 0.00 175.76 174.67 1rbm n ALA 39 N -1.97 -0.37 -2.59 0.00 0.00 -1.26 -5.00 120.51 109.32 1rbm n ALA 39 Ca 0.11 0.16 -0.33 0.00 0.00 0.00 0.00 53.44 53.38 1rbm n ALA 39 Cb 0.51 -1.68 -0.05 0.00 0.00 0.00 0.00 19.45 18.23 1rbm n ALA 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1rbm s VAL 40 N -2.69 5.10 0.50 0.00 -7.23 -1.26 -5.00 120.40 109.82 1rbm s VAL 40 Ca 0.00 0.29 0.18 0.00 -1.81 0.00 0.00 61.98 60.64 1rbm s VAL 40 Cb 0.00 -3.63 0.25 0.00 0.56 0.00 0.00 36.38 33.56 1rbm s VAL 40 CO 0.00 0.13 2.11 0.00 -0.31 0.00 0.00 175.10 177.03 1rbm h ALA 41 N 3.17 1.77 -0.55 1.32 0.00 -1.77 -1.42 119.26 121.79 1rbm h ALA 41 Ca -0.47 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 54.49 1rbm h ALA 41 Cb 1.18 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1rbm h ALA 41 CO 0.69 0.09 0.38 0.78 0.00 0.00 0.00 179.25 181.19 1rbm h GLY 42 N 0.25 0.31 1.08 0.00 0.00 -0.21 -1.30 103.07 103.19 1rbm h GLY 42 Ca -0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 47.33 47.10 1rbm h GLY 42 CO 0.01 0.04 -0.36 1.41 0.00 0.00 0.00 176.54 177.65 1rbm h LEU 43 N 0.20 0.92 -0.76 3.11 3.38 -1.50 -2.27 115.31 118.40 1rbm h LEU 43 Ca 0.26 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1rbm h LEU 43 Cb 0.74 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1rbm h LEU 43 CO -0.05 1.20 0.47 0.44 0.09 0.00 0.00 178.44 180.60 1rbm h ASP 44 N 0.66 0.90 -0.59 -0.43 3.32 -1.38 -1.31 116.42 117.59 1rbm h ASP 44 Ca 0.05 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1rbm h ASP 44 Cb 0.95 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 1rbm h ASP 44 CO 0.09 0.68 0.25 0.11 -1.72 0.00 0.00 179.24 178.65 1rbm h LYS 45 N 1.03 0.87 0.26 3.56 1.57 -1.20 0.63 116.57 123.29 1rbm h LYS 45 Ca 0.27 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1rbm h LYS 45 Cb -0.06 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.10 1rbm h LYS 45 CO -0.05 0.73 -0.13 0.00 -0.57 0.00 0.00 179.45 179.43 1rbm h ALA 46 N 1.09 -0.35 -0.94 3.86 0.00 -1.22 -2.47 119.26 119.23 1rbm h ALA 46 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1rbm h ALA 46 Cb 0.17 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1rbm h ALA 46 CO -0.02 -0.67 0.59 0.93 0.00 0.00 0.00 179.25 180.08 1rbm h GLU 47 N -0.41 1.26 0.00 0.00 5.08 -1.08 -1.02 114.58 118.41 1rbm h GLU 47 Ca -0.04 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1rbm h GLU 47 Cb 0.31 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1rbm h GLU 47 CO 0.06 0.86 -0.01 0.00 -1.00 0.00 0.00 179.01 178.92 1rbm h ARG 48 N 1.29 0.00 -0.01 2.33 3.08 -0.81 -1.84 114.38 118.41 1rbm h ARG 48 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1rbm h ARG 48 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1rbm h ARG 48 CO -0.07 0.01 -0.25 0.00 -1.07 0.00 0.00 179.97 178.59 1rbm n ALA 49 N -2.10 3.07 -1.22 0.04 0.00 -0.73 -4.94 120.51 114.64 1rbm n ALA 49 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1rbm n ALA 49 Cb 0.27 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1rbm n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rbm n GLY 50 N 1.34 0.52 3.58 0.00 0.00 -0.69 -5.05 105.19 104.88 1rbm n GLY 50 Ca 0.12 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 1rbm n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rbm s ILE 51 N -2.00 4.44 0.74 -0.61 1.01 -0.47 -5.01 121.20 119.31 1rbm s ILE 51 Ca 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 60.65 60.35 1rbm s ILE 51 Cb 0.00 -2.99 0.05 0.00 0.01 0.00 0.00 42.46 39.53 1rbm s ILE 51 CO 0.00 0.47 1.21 -2.84 0.00 0.00 0.00 174.94 173.78 1rbm s PRO 52 N 0.43 2.03 0.05 2.79 0.02 -1.26 -3.63 135.00 135.44 1rbm s PRO 52 Ca 0.01 1.78 0.01 0.00 0.02 0.00 0.00 61.00 62.82 1rbm s PRO 52 Cb -0.13 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.54 1rbm s PRO 52 CO 0.01 -1.92 -0.05 0.95 -0.33 0.00 0.00 177.00 175.66 1rbm s THR 53 N -1.98 0.40 0.01 0.99 -4.23 -1.26 -1.97 115.64 107.59 1rbm s THR 53 Ca 0.75 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 1rbm s THR 53 Cb -0.30 -0.99 -0.01 0.00 1.34 0.00 0.00 72.50 72.55 1rbm s THR 53 CO 0.46 -0.67 -0.03 -0.13 -0.54 0.00 0.00 174.62 173.72 1rbm s ARG 54 N -2.62 0.23 -0.25 3.99 1.81 -0.55 -4.96 118.95 116.59 1rbm s ARG 54 Ca -0.02 -0.37 -0.06 0.00 -1.72 0.00 0.00 55.73 53.56 1rbm s ARG 54 Cb -0.02 -0.01 -0.01 0.00 -0.45 0.00 0.00 34.95 34.45 1rbm s ARG 54 CO -0.04 -0.01 0.04 0.08 -0.68 0.00 0.00 175.30 174.70 1rbm s VAL 55 N -0.81 3.97 -0.37 3.52 1.01 -1.26 -0.54 120.40 125.92 1rbm s VAL 55 Ca -0.08 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1rbm s VAL 55 Cb -0.06 -2.90 0.11 0.00 0.00 0.00 0.00 36.38 33.53 1rbm s VAL 55 CO -0.00 0.29 0.09 -0.63 0.00 0.00 0.00 175.10 174.84 1rbm s ILE 56 N 1.55 2.31 -0.44 2.22 1.01 0.31 -4.98 121.20 123.18 1rbm s ILE 56 Ca 0.05 -2.52 -0.29 0.00 0.00 0.00 0.00 60.65 57.89 1rbm s ILE 56 Cb -0.15 -2.69 0.02 0.00 0.01 0.00 0.00 42.46 39.64 1rbm s ILE 56 CO 0.02 -0.64 1.28 0.21 0.00 0.00 0.00 174.94 175.81 1rbm s ASN 57 N 0.68 6.48 0.55 3.58 3.84 -1.26 -4.09 114.94 124.73 1rbm s ASN 57 Ca 0.12 0.67 0.24 0.00 0.21 0.00 0.00 52.86 54.10 1rbm s ASN 57 Cb -0.20 -2.54 1.48 0.00 -0.55 0.00 0.00 41.25 39.43 1rbm s ASN 57 CO -0.07 -1.34 2.10 1.12 -2.79 0.00 0.00 177.10 176.12 1rbm h HIS 58 N 9.99 0.00 0.00 0.43 2.07 -1.94 -2.07 115.15 123.63 1rbm h HIS 58 Ca -0.25 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.27 1rbm h HIS 58 Cb 1.08 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.06 1rbm h HIS 58 CO 0.97 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 177.46 1rbm n LYS 59 N -4.19 0.13 -0.41 5.12 5.02 -1.26 -2.64 118.16 119.93 1rbm n LYS 59 Ca 0.02 0.39 0.06 0.00 -2.02 0.00 0.00 58.31 56.76 1rbm n LYS 59 Cb 0.30 -1.77 0.23 0.00 -0.02 0.00 0.00 35.03 33.77 1rbm n LYS 59 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1rbm n LEU 60 N -2.02 3.26 -4.31 -0.35 4.77 -0.78 -4.89 117.00 112.68 1rbm n LEU 60 Ca 0.02 -1.64 -0.28 0.00 -0.03 0.00 0.00 56.01 54.07 1rbm n LEU 60 Cb 0.19 -0.47 -0.14 0.00 -2.33 0.00 0.00 43.42 40.67 1rbm n LEU 60 CO 0.17 0.55 -0.55 -0.31 -1.33 0.00 0.00 177.39 175.92 1rbm s TYR 61 N -1.76 2.12 0.29 -1.77 1.51 -1.08 -5.04 117.35 111.62 1rbm s TYR 61 Ca 0.33 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 1rbm s TYR 61 Cb 0.21 -1.27 0.44 0.00 -0.11 0.00 0.00 41.96 41.24 1rbm s TYR 61 CO 0.15 0.11 1.80 0.87 -1.11 0.00 0.00 175.55 177.37 1rbm h LYS 62 N 4.84 0.65 -3.67 -0.62 1.57 -1.90 -3.47 116.57 113.99 1rbm h LYS 62 Ca -0.45 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.03 1rbm h LYS 62 Cb 1.15 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.31 1rbm h LYS 62 CO 0.44 0.69 -0.05 0.54 -0.57 0.00 0.00 179.45 180.51 1rbm s ASN 63 N -6.70 0.31 0.27 0.86 2.20 -1.26 -5.06 114.94 105.56 1rbm s ASN 63 Ca -0.08 -1.18 -0.00 0.00 -0.94 0.00 0.00 52.86 50.66 1rbm s ASN 63 Cb 0.15 0.68 0.37 0.00 -2.00 0.00 0.00 41.25 40.44 1rbm s ASN 63 CO 0.79 -1.33 1.74 0.03 -2.94 0.00 0.00 177.10 175.39 1rbm h ARG 64 N 2.13 0.66 -0.60 3.55 3.08 -1.95 -2.76 114.38 118.49 1rbm h ARG 64 Ca -0.28 -0.21 0.03 0.00 0.07 0.00 0.00 59.98 59.60 1rbm h ARG 64 Cb 1.25 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.19 1rbm h ARG 64 CO 0.37 0.76 0.36 0.28 -1.07 0.00 0.00 179.97 180.67 1rbm h VAL 65 N 0.60 1.05 -0.25 2.04 2.07 -1.97 0.11 116.25 119.90 1rbm h VAL 65 Ca 0.11 -0.24 -0.19 0.00 0.82 0.00 0.00 66.70 67.20 1rbm h VAL 65 Cb 0.55 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1rbm h VAL 65 CO 0.03 0.13 -0.58 -0.33 0.02 0.00 0.00 177.57 176.84 1rbm h GLU 66 N 0.70 0.79 0.30 1.57 5.08 -1.98 -0.19 114.58 120.86 1rbm h GLU 66 Ca 0.25 -0.52 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1rbm h GLU 66 Cb 0.05 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1rbm h GLU 66 CO -0.11 1.15 -0.14 0.35 -1.00 0.00 0.00 179.01 179.25 1rbm h PHE 67 N 0.60 -0.37 -0.99 4.33 3.57 -1.23 -2.43 116.94 120.42 1rbm h PHE 67 Ca 0.00 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.65 1rbm h PHE 67 Cb 1.18 0.12 -0.09 0.00 2.79 0.00 0.00 35.95 39.95 1rbm h PHE 67 CO 0.07 -0.22 0.62 -0.44 -2.23 0.00 0.00 178.31 176.11 1rbm h ASP 68 N -0.42 0.81 -0.77 0.41 3.32 -0.68 -1.77 116.42 117.33 1rbm h ASP 68 Ca -0.04 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 1rbm h ASP 68 Cb 0.32 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1rbm h ASP 68 CO 0.07 0.37 0.35 0.28 -1.72 0.00 0.00 179.24 178.58 1rbm h SER 69 N 0.83 1.02 -0.66 6.45 0.02 -0.80 0.29 113.55 120.71 1rbm h SER 69 Ca 0.53 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 1rbm h SER 69 Cb 0.73 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 1rbm h SER 69 CO -0.30 0.88 0.37 0.00 -1.14 0.00 0.00 176.83 176.64 1rbm h ALA 70 N 1.18 0.85 0.24 3.77 0.00 -0.85 0.16 119.26 124.60 1rbm h ALA 70 Ca 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1rbm h ALA 70 Cb 0.15 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1rbm h ALA 70 CO -0.03 0.35 -0.21 0.82 0.00 0.00 0.00 179.25 180.18 1rbm h ILE 71 N 0.91 0.54 -0.93 0.00 2.04 -0.93 -2.85 117.51 116.29 1rbm h ILE 71 Ca 0.23 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.18 1rbm h ILE 71 Cb 0.02 0.54 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 1rbm h ILE 71 CO -0.04 0.00 0.60 -0.78 0.00 0.00 0.00 178.15 177.93 1rbm h ASP 72 N -0.47 0.88 -0.50 1.72 3.58 0.06 -1.04 116.42 120.64 1rbm h ASP 72 Ca -0.01 0.02 0.06 0.00 0.42 0.00 0.00 57.03 57.52 1rbm h ASP 72 Cb 0.43 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.27 1rbm h ASP 72 CO -0.04 0.53 0.20 0.25 -2.88 0.00 0.00 179.24 177.31 1rbm h LEU 73 N 0.98 0.24 -0.86 2.28 6.46 -0.53 -1.26 115.31 122.63 1rbm h LEU 73 Ca 0.42 0.05 -0.07 0.00 -0.12 0.00 0.00 57.88 58.17 1rbm h LEU 73 Cb 0.33 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.26 1rbm h LEU 73 CO -0.18 0.17 0.11 0.58 -0.62 0.00 0.00 178.44 178.50 1rbm h VAL 74 N 0.40 1.25 -0.72 1.05 2.07 -1.00 -0.74 116.25 118.56 1rbm h VAL 74 Ca 0.24 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 1rbm h VAL 74 Cb 0.22 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1rbm h VAL 74 CO -0.22 0.35 0.34 -0.07 0.02 0.00 0.00 177.57 178.00 1rbm h LEU 75 N 0.92 0.92 -0.07 2.57 4.07 -0.72 -0.76 115.31 122.24 1rbm h LEU 75 Ca 0.19 -0.10 -0.03 0.00 0.08 0.00 0.00 57.88 58.02 1rbm h LEU 75 Cb 0.38 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 41.88 1rbm h LEU 75 CO 0.01 0.78 -0.08 -0.33 -1.08 0.00 0.00 178.44 177.74 1rbm h GLU 76 N 1.02 0.17 -1.04 1.13 4.39 -1.05 -0.81 114.58 118.38 1rbm h GLU 76 Ca 0.25 -0.10 0.29 0.00 0.34 0.00 0.00 59.36 60.15 1rbm h GLU 76 Cb 0.11 0.01 -0.13 0.00 -0.10 0.00 0.00 28.75 28.64 1rbm h GLU 76 CO -0.03 0.63 0.63 0.93 -1.16 0.00 0.00 179.01 180.01 1rbm h GLU 77 N -0.27 0.39 -0.45 2.33 5.08 -0.87 0.14 114.58 120.93 1rbm h GLU 77 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1rbm h GLU 77 Cb 0.60 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1rbm h GLU 77 CO 0.02 0.26 0.00 1.19 -1.00 0.00 0.00 179.01 179.48 1rbm n PHE 78 N -4.86 0.59 -3.90 4.33 3.01 -0.31 -4.98 117.46 111.34 1rbm n PHE 78 Ca 0.29 -0.29 -0.26 0.00 1.01 0.00 0.00 57.45 58.20 1rbm n PHE 78 Cb 0.92 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.39 1rbm n PHE 78 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1rbm n SER 79 N 1.24 -0.97 -4.74 4.37 2.88 0.04 -4.91 113.62 111.53 1rbm n SER 79 Ca 0.19 -1.00 -0.41 0.00 -1.33 0.00 0.00 58.87 56.33 1rbm n SER 79 Cb 0.53 -3.16 -0.05 0.00 -0.75 0.00 0.00 64.21 60.78 1rbm n SER 79 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1rbm s ILE 80 N -3.88 4.21 -0.20 2.46 -1.09 -0.39 -4.75 121.20 117.57 1rbm s ILE 80 Ca 0.06 1.93 -0.00 0.00 -2.23 0.00 0.00 60.65 60.40 1rbm s ILE 80 Cb -0.02 -4.23 -0.21 0.00 -1.58 0.00 0.00 42.46 36.42 1rbm s ILE 80 CO 0.88 0.34 0.01 0.47 -1.23 0.00 0.00 174.94 175.41 1rbm n ASP 81 N 2.40 1.94 -3.92 3.58 8.00 0.75 -4.95 116.55 124.35 1rbm n ASP 81 Ca 0.02 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.36 1rbm n ASP 81 Cb 0.48 -0.52 -0.15 0.00 -0.02 0.00 0.00 41.12 40.91 1rbm n ASP 81 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1rbm s ILE 82 N -2.53 0.34 -0.13 0.53 1.01 -0.77 -4.82 121.20 114.82 1rbm s ILE 82 Ca -0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.21 1rbm s ILE 82 Cb 0.08 -0.32 -0.02 0.00 0.01 0.00 0.00 42.46 42.21 1rbm s ILE 82 CO 0.67 0.12 -0.10 -0.69 0.00 0.00 0.00 174.94 174.94 1rbm s VAL 83 N 0.17 3.31 -0.14 2.92 1.01 0.21 -0.96 120.40 126.92 1rbm s VAL 83 Ca -0.01 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1rbm s VAL 83 Cb -0.05 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1rbm s VAL 83 CO -0.00 0.52 -0.09 0.00 0.00 0.00 0.00 175.10 175.52 1rbm s LEU 85 N 0.44 4.45 -0.51 0.00 1.43 0.17 -0.92 118.68 123.74 1rbm s LEU 85 Ca -0.07 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1rbm s LEU 85 Cb -0.15 -2.40 0.15 0.00 0.03 0.00 0.00 46.19 43.81 1rbm s LEU 85 CO 0.04 -0.39 0.31 0.00 0.23 0.00 0.00 176.35 176.54 1rbm s ALA 86 N 2.12 2.65 -0.71 4.21 0.00 -0.37 -2.76 121.76 126.89 1rbm s ALA 86 Ca 0.13 -2.98 0.00 0.00 0.00 0.00 0.00 51.96 49.12 1rbm s ALA 86 Cb -0.16 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1rbm s ALA 86 CO 0.12 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.24 1rbm n GLY 87 N 3.05 0.82 3.72 0.00 0.00 -1.26 -4.43 105.19 107.09 1rbm n GLY 87 Ca 0.12 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 1rbm n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rbm s PHE 88 N -2.27 3.55 -0.56 1.61 5.36 -1.26 -2.59 117.98 121.82 1rbm s PHE 88 Ca 0.00 1.50 0.08 0.00 -0.96 0.00 0.00 56.93 57.55 1rbm s PHE 88 Cb 0.00 -3.30 0.22 0.00 -0.34 0.00 0.00 43.02 39.61 1rbm s PHE 88 CO 0.00 -0.74 1.18 -1.33 -1.46 0.00 0.00 175.22 172.87 1rbm n MET 89 N 3.37 2.87 -4.11 10.12 2.81 -1.26 -4.93 117.12 125.98 1rbm n MET 89 Ca 0.06 -1.95 -0.35 0.00 -1.81 0.00 0.00 57.70 53.66 1rbm n MET 89 Cb 0.47 -1.23 -0.12 0.00 -0.71 0.00 0.00 33.22 31.64 1rbm n MET 89 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1rbm s ARG 90 N -1.18 3.72 0.06 0.03 1.81 -1.26 -5.07 118.95 117.06 1rbm s ARG 90 Ca 0.17 -0.47 -0.31 0.00 -1.72 0.00 0.00 55.73 53.41 1rbm s ARG 90 Cb 0.10 -3.10 -0.07 0.00 -0.45 0.00 0.00 34.95 31.43 1rbm s ARG 90 CO 0.10 0.11 1.46 0.42 -0.68 0.00 0.00 175.30 176.71 1rbm s ILE 91 N 0.75 3.37 0.18 1.52 1.01 -1.26 -5.01 121.20 121.76 1rbm s ILE 91 Ca 0.01 0.88 -0.13 0.00 0.00 0.00 0.00 60.65 61.41 1rbm s ILE 91 Cb -0.14 -3.56 -0.07 0.00 0.01 0.00 0.00 42.46 38.70 1rbm s ILE 91 CO 0.02 0.03 0.56 -0.76 0.00 0.00 0.00 174.94 174.79 1rbm s LEU 92 N 1.93 4.28 0.83 2.97 1.43 -1.26 -5.02 118.68 123.84 1rbm s LEU 92 Ca 0.66 1.04 -0.11 0.00 -1.03 0.00 0.00 54.13 54.70 1rbm s LEU 92 Cb -0.36 -3.42 0.09 0.00 0.03 0.00 0.00 46.19 42.53 1rbm s LEU 92 CO 0.29 0.04 1.09 -0.94 0.23 0.00 0.00 176.35 177.06 1rbm s SER 93 N -1.92 3.99 0.15 2.29 1.04 -1.26 -4.82 113.70 113.17 1rbm s SER 93 Ca 0.41 1.66 -0.29 0.00 0.48 0.00 0.00 55.95 58.22 1rbm s SER 93 Cb -0.14 -2.35 -0.03 0.00 0.10 0.00 0.00 66.02 63.60 1rbm s SER 93 CO 0.20 -2.34 1.56 1.23 0.98 0.00 0.00 173.24 174.87 1rbm h GLY 94 N -1.34 -0.70 0.95 7.32 0.00 -1.97 -2.30 103.07 105.03 1rbm h GLY 94 Ca -0.46 0.61 0.02 0.00 0.00 0.00 0.00 47.33 47.50 1rbm h GLY 94 CO 0.53 -0.15 0.43 -2.55 0.00 0.00 0.00 176.54 174.79 1rbm h PRO 95 N -0.33 0.84 0.09 4.80 0.11 -1.98 0.19 132.00 135.71 1rbm h PRO 95 Ca 0.12 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1rbm h PRO 95 Cb 0.59 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1rbm h PRO 95 CO -0.61 0.55 -0.09 0.35 -0.21 0.00 0.00 178.00 177.99 1rbm h PHE 96 N 0.86 -0.24 -0.75 0.65 3.04 -1.92 0.90 116.94 119.49 1rbm h PHE 96 Ca 0.25 0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.25 1rbm h PHE 96 Cb -0.05 0.09 -0.05 0.00 2.56 0.00 0.00 35.95 38.50 1rbm h PHE 96 CO -0.04 -0.14 0.46 0.28 -2.02 0.00 0.00 178.31 176.86 1rbm h VAL 97 N -0.21 1.07 -0.41 1.41 2.07 -1.17 -1.57 116.25 117.43 1rbm h VAL 97 Ca 0.01 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1rbm h VAL 97 Cb 0.20 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1rbm h VAL 97 CO -0.03 0.16 0.25 1.56 0.02 0.00 0.00 177.57 179.53 1rbm h GLN 98 N 0.88 0.55 -0.71 1.57 4.20 -0.43 -2.00 115.11 119.18 1rbm h GLN 98 Ca 0.31 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.99 1rbm h GLN 98 Cb 0.08 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 1rbm h GLN 98 CO -0.14 0.41 0.46 -0.22 -0.67 0.00 0.00 178.83 178.67 1rbm h LYS 99 N 0.54 0.90 -0.49 1.46 3.64 -0.11 -2.79 116.57 119.72 1rbm h LYS 99 Ca 0.15 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1rbm h LYS 99 Cb -0.01 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1rbm h LYS 99 CO -0.03 0.59 0.00 0.91 -2.27 0.00 0.00 179.45 178.66 1rbm n TRP 100 N -4.62 0.69 -1.67 1.91 7.02 -0.66 -4.97 117.44 115.14 1rbm n TRP 100 Ca 0.07 -0.32 -0.51 0.00 -1.02 0.00 0.00 57.50 55.71 1rbm n TRP 100 Cb 0.05 -0.04 -0.06 0.00 -2.42 0.00 0.00 31.31 28.84 1rbm n TRP 100 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1rbm n ASN 101 N 0.78 2.63 0.00 -0.99 5.15 -0.77 -0.23 115.26 121.83 1rbm n ASN 101 Ca 0.15 1.06 0.00 0.00 -0.60 0.00 0.00 54.58 55.19 1rbm n ASN 101 Cb 0.44 -1.27 0.00 0.00 -0.53 0.00 0.00 39.78 38.42 1rbm n ASN 101 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rbm n GLY 102 N 3.69 0.77 0.00 8.20 0.00 -1.26 -4.83 105.19 111.76 1rbm n GLY 102 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1rbm n GLY 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rbm n LYS 103 N -2.24 1.05 -4.14 1.61 4.76 0.68 -4.65 118.16 115.23 1rbm n LYS 103 Ca 0.00 -0.83 -0.28 0.00 -2.87 0.00 0.00 58.31 54.33 1rbm n LYS 103 Cb 0.01 -0.76 -0.17 0.00 -1.84 0.00 0.00 35.03 32.28 1rbm n LYS 103 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1rbm s MET 104 N -0.39 1.88 0.13 1.97 1.75 -1.06 -0.62 119.30 122.97 1rbm s MET 104 Ca 0.00 -0.41 0.08 0.00 -1.25 0.00 0.00 55.69 54.11 1rbm s MET 104 Cb 0.00 -1.75 -0.04 0.00 2.84 0.00 0.00 34.83 35.88 1rbm s MET 104 CO 0.00 -0.18 -0.12 -0.51 -0.65 0.00 0.00 175.02 173.57 1rbm s LEU 105 N 1.36 2.94 0.05 4.11 1.43 0.13 -1.07 118.68 127.62 1rbm s LEU 105 Ca -0.00 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1rbm s LEU 105 Cb -0.14 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 1rbm s LEU 105 CO -0.06 0.15 -0.11 0.21 0.23 0.00 0.00 176.35 176.77 1rbm s ASN 106 N -2.42 1.26 -0.22 2.29 2.47 -0.44 0.44 114.94 118.33 1rbm s ASN 106 Ca 0.22 -0.54 -0.07 0.00 0.42 0.00 0.00 52.86 52.89 1rbm s ASN 106 Cb -0.10 -0.02 -0.03 0.00 -1.45 0.00 0.00 41.25 39.65 1rbm s ASN 106 CO 0.13 -0.11 0.06 -0.51 -3.72 0.00 0.00 177.10 172.95 1rbm s ILE 107 N -1.20 4.41 -0.09 -5.21 1.10 -1.11 -1.92 121.20 117.17 1rbm s ILE 107 Ca -0.05 -0.15 0.04 0.00 -0.51 0.00 0.00 60.65 59.98 1rbm s ILE 107 Cb -0.09 -3.03 -0.00 0.00 0.15 0.00 0.00 42.46 39.49 1rbm s ILE 107 CO 0.01 0.39 -0.24 -2.28 -2.11 0.00 0.00 174.94 170.71 1rbm s HIS 108 N 1.15 2.50 0.00 3.50 5.65 0.50 -4.73 115.29 123.85 1rbm s HIS 108 Ca 0.04 -0.99 -0.05 0.00 0.25 0.00 0.00 55.06 54.31 1rbm s HIS 108 Cb -0.14 -1.67 -0.22 0.00 -1.18 0.00 0.00 32.58 29.37 1rbm s HIS 108 CO 0.03 -0.39 3.32 -0.35 -0.65 0.00 0.00 174.74 176.70 1rbm n PRO 109 N 3.47 1.81 -3.98 2.88 -0.04 -1.26 -1.02 135.00 136.86 1rbm n PRO 109 Ca -0.19 -0.82 -0.09 0.00 -0.04 0.00 0.00 63.50 62.36 1rbm n PRO 109 Cb 0.53 -1.82 -0.05 0.00 -0.04 0.00 0.00 33.50 32.12 1rbm n PRO 109 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1rbm s SER 110 N 2.01 -0.09 -0.93 3.54 1.04 -0.46 -4.60 113.70 114.21 1rbm s SER 110 Ca 0.55 -0.90 -0.21 0.00 0.48 0.00 0.00 55.95 55.86 1rbm s SER 110 Cb 0.26 0.61 0.08 0.00 0.10 0.00 0.00 66.02 67.08 1rbm s SER 110 CO 0.00 -1.18 1.27 -0.76 0.98 0.00 0.00 173.24 173.54 1rbm s LEU 111 N -3.01 4.19 0.58 2.42 1.43 -1.24 -2.57 118.68 120.48 1rbm s LEU 111 Ca 0.21 -1.59 -0.20 0.00 -1.03 0.00 0.00 54.13 51.53 1rbm s LEU 111 Cb -0.01 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1rbm s LEU 111 CO 0.09 -1.34 1.16 0.18 0.23 0.00 0.00 176.35 176.66 1rbm n LEU 112 N 7.87 4.66 -0.11 1.79 4.77 -1.26 -2.00 117.00 132.71 1rbm n LEU 112 Ca 0.24 0.88 0.11 0.00 -0.03 0.00 0.00 56.01 57.22 1rbm n LEU 112 Cb 0.50 -1.48 0.61 0.00 -2.33 0.00 0.00 43.42 40.72 1rbm n LEU 112 CO 0.60 -1.26 0.90 -0.81 -1.33 0.00 0.00 177.39 175.49 1rbm n PRO 113 N -1.11 1.15 -2.21 3.23 -0.04 -1.26 -5.09 135.00 129.67 1rbm n PRO 113 Ca 0.13 -0.23 -0.39 0.00 -0.04 0.00 0.00 63.50 62.97 1rbm n PRO 113 Cb 0.46 -1.36 -0.02 0.00 -0.04 0.00 0.00 33.50 32.54 1rbm n PRO 113 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1rbm s SER 114 N -1.70 6.47 -1.17 3.54 0.01 -0.85 -4.23 113.70 115.78 1rbm s SER 114 Ca 0.34 2.46 -0.03 0.00 1.31 0.00 0.00 55.95 60.03 1rbm s SER 114 Cb 0.16 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.74 1rbm s SER 114 CO 0.26 -0.72 0.92 0.49 0.41 0.00 0.00 173.24 174.61 1rbm n PHE 115 N 0.15 -2.22 -1.24 2.43 3.72 -1.26 -4.44 117.46 114.59 1rbm n PHE 115 Ca 0.04 0.88 -0.33 0.00 -0.05 0.00 0.00 57.45 57.99 1rbm n PHE 115 Cb 0.45 -4.61 0.11 0.00 -0.94 0.00 0.00 39.48 34.49 1rbm n PHE 115 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1rbm s LYS 116 N -5.18 1.91 0.00 -1.08 1.02 -1.26 -4.58 119.74 110.57 1rbm s LYS 116 Ca 0.16 1.60 0.00 0.00 0.02 0.00 0.00 55.97 57.75 1rbm s LYS 116 Cb -0.03 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 35.46 1rbm s LYS 116 CO 0.75 -1.97 0.00 0.41 -0.92 0.00 0.00 175.35 173.62 1rbm n GLY 117 N 0.06 1.84 0.01 -3.33 0.00 -1.26 -4.78 105.19 97.73 1rbm n GLY 117 Ca 0.12 -1.96 0.15 0.00 0.00 0.00 0.00 46.02 44.33 1rbm n GLY 117 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rbm n SER 118 N 0.00 0.03 -2.47 1.61 3.41 -1.26 -3.71 113.62 111.24 1rbm n SER 118 Ca 0.00 -0.35 -0.28 0.00 -0.26 0.00 0.00 58.87 57.98 1rbm n SER 118 Cb 0.00 -0.21 0.01 0.00 -0.26 0.00 0.00 64.21 63.75 1rbm n SER 118 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1rbm n ASN 119 N -1.20 5.10 -0.30 4.04 6.94 -1.26 -4.86 115.26 123.71 1rbm n ASN 119 Ca 0.16 -3.74 -0.01 0.00 -0.02 0.00 0.00 54.58 50.98 1rbm n ASN 119 Cb 0.22 -0.52 0.17 0.00 -2.36 0.00 0.00 39.78 37.29 1rbm n ASN 119 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rbm h ALA 120 N 2.56 1.35 -0.55 -2.53 0.00 -1.81 -1.67 119.26 116.62 1rbm h ALA 120 Ca 0.34 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 1rbm h ALA 120 Cb 0.90 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1rbm h ALA 120 CO 0.92 0.59 -0.03 0.45 0.00 0.00 0.00 179.25 181.18 1rbm h HIS 121 N 1.20 1.09 -0.66 0.00 3.86 -1.89 0.31 115.15 119.05 1rbm h HIS 121 Ca 0.32 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1rbm h HIS 121 Cb -0.12 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.04 1rbm h HIS 121 CO 0.00 0.99 0.39 0.93 0.86 0.00 0.00 177.93 181.10 1rbm h GLU 122 N 0.87 0.90 -0.55 2.45 3.07 -1.87 0.20 114.58 119.65 1rbm h GLU 122 Ca 0.15 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.36 58.90 1rbm h GLU 122 Cb 0.58 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 1rbm h GLU 122 CO 0.03 0.65 0.26 1.96 -1.40 0.00 0.00 179.01 180.51 1rbm h GLN 123 N 0.90 0.81 -0.57 2.33 4.20 -0.82 -1.98 115.11 119.97 1rbm h GLN 123 Ca 0.24 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1rbm h GLN 123 Cb -0.01 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 1rbm h GLN 123 CO -0.04 0.67 0.35 0.00 -0.67 0.00 0.00 178.83 179.14 1rbm h ALA 124 N 1.09 0.73 -0.34 3.87 0.00 0.20 -1.60 119.26 123.21 1rbm h ALA 124 Ca 0.19 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1rbm h ALA 124 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1rbm h ALA 124 CO -0.02 0.21 0.08 -0.07 0.00 0.00 0.00 179.25 179.45 1rbm h LEU 125 N 0.77 0.51 -1.06 0.00 3.38 -0.56 -2.41 115.31 115.95 1rbm h LEU 125 Ca 0.21 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1rbm h LEU 125 Cb -0.02 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1rbm h LEU 125 CO -0.04 0.61 0.46 -0.08 0.09 0.00 0.00 178.44 179.49 1rbm h GLU 126 N 0.39 1.11 0.00 1.13 4.81 -1.15 -2.92 114.58 117.96 1rbm h GLU 126 Ca 0.11 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1rbm h GLU 126 Cb 0.30 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1rbm h GLU 126 CO 0.00 0.80 -0.50 1.15 -0.73 0.00 0.00 179.01 179.74 1rbm h THR 127 N 1.13 1.01 0.00 0.32 2.02 -1.20 -3.48 112.91 112.71 1rbm h THR 127 Ca 0.29 -1.96 0.00 0.00 0.77 0.00 0.00 66.41 65.51 1rbm h THR 127 Cb -0.00 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 1rbm h THR 127 CO -0.05 0.49 0.00 0.61 0.37 0.00 0.00 175.52 176.94 1rbm n GLY 128 N 0.62 0.45 3.74 2.16 0.00 -0.92 -5.04 105.19 106.21 1rbm n GLY 128 Ca 0.00 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 1rbm n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rbm s VAL 129 N -2.00 2.07 -0.62 1.61 -7.23 -1.21 -4.93 120.40 108.09 1rbm s VAL 129 Ca 0.00 0.04 0.20 0.00 -1.81 0.00 0.00 61.98 60.41 1rbm s VAL 129 Cb 0.00 -3.02 -0.25 0.00 0.56 0.00 0.00 36.38 33.67 1rbm s VAL 129 CO 0.00 -0.01 0.70 0.35 -0.31 0.00 0.00 175.10 175.83 1rbm n THR 130 N -1.64 0.00 -4.18 5.32 -2.24 -1.26 -4.77 114.28 105.51 1rbm n THR 130 Ca 0.14 -0.18 -0.27 0.00 -2.27 0.00 0.00 64.05 61.46 1rbm n THR 130 Cb 0.47 0.67 -0.17 0.00 -2.10 0.00 0.00 70.33 69.21 1rbm n THR 130 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1rbm s VAL 131 N -3.04 1.26 0.00 2.28 1.01 -1.26 0.23 120.40 120.88 1rbm s VAL 131 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1rbm s VAL 131 Cb 0.14 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.32 1rbm s VAL 131 CO 0.82 0.40 0.00 1.07 0.00 0.00 0.00 175.10 177.39 1rbm n THR 132 N 4.53 0.00 -3.51 3.92 5.66 0.18 -4.92 114.28 120.15 1rbm n THR 132 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1rbm n THR 132 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 1rbm n THR 132 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rbm n GLY 133 N 3.76 -0.57 3.15 1.09 0.00 -1.26 0.11 105.19 111.47 1rbm n GLY 133 Ca 0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 1rbm n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rbm s THR 135 N -3.80 0.09 -0.23 0.00 2.01 -0.19 -1.51 115.64 112.02 1rbm s THR 135 Ca 0.13 0.08 -0.09 0.00 0.31 0.00 0.00 61.69 62.13 1rbm s THR 135 Cb 0.07 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.36 1rbm s THR 135 CO -0.05 0.10 0.11 -0.69 -0.69 0.00 0.00 174.62 173.40 1rbm s VAL 136 N 0.74 4.91 0.08 3.82 1.01 -0.04 -0.37 120.40 130.55 1rbm s VAL 136 Ca -0.07 0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1rbm s VAL 136 Cb -0.10 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1rbm s VAL 136 CO -0.02 0.38 -0.09 -1.38 0.00 0.00 0.00 175.10 173.99 1rbm s HIS 137 N 1.00 0.90 0.47 5.22 -0.00 -0.81 -0.41 115.29 121.67 1rbm s HIS 137 Ca 0.05 -0.65 -0.24 0.00 -0.00 0.00 0.00 55.06 54.22 1rbm s HIS 137 Cb -0.14 -0.51 -0.07 0.00 -0.00 0.00 0.00 32.58 31.86 1rbm s HIS 137 CO 0.03 -0.06 1.36 -0.06 -0.00 0.00 0.00 174.74 176.02 1rbm s PHE 138 N -2.27 2.52 -0.18 0.38 0.08 -0.01 -1.32 117.98 117.18 1rbm s PHE 138 Ca 0.01 1.35 -0.23 0.00 0.12 0.00 0.00 56.93 58.18 1rbm s PHE 138 Cb -0.04 -3.79 -0.02 0.00 -0.57 0.00 0.00 43.02 38.60 1rbm s PHE 138 CO -0.01 -2.63 0.74 0.08 -0.10 0.00 0.00 175.22 173.30 1rbm s VAL 139 N -1.27 4.95 0.44 -0.44 1.01 -0.23 -3.55 120.40 121.30 1rbm s VAL 139 Ca 0.63 1.43 0.06 0.00 0.00 0.00 0.00 61.98 64.10 1rbm s VAL 139 Cb -0.40 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 1rbm s VAL 139 CO 0.51 0.07 0.14 0.00 0.00 0.00 0.00 175.10 175.82 1rbm s ALA 140 N 1.98 3.63 0.11 5.51 0.00 -1.26 -4.77 121.76 126.96 1rbm s ALA 140 Ca 0.34 -1.87 -0.22 0.00 0.00 0.00 0.00 51.96 50.21 1rbm s ALA 140 Cb -0.16 -0.23 -0.08 0.00 0.00 0.00 0.00 23.12 22.65 1rbm s ALA 140 CO 0.12 -0.16 1.71 1.49 0.00 0.00 0.00 175.76 178.92 1rbm h GLU 141 N 1.44 -0.05 -6.47 0.00 4.81 -1.93 -3.40 114.58 108.97 1rbm h GLU 141 Ca -0.43 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.28 1rbm h GLU 141 Cb 1.26 0.01 0.03 0.00 0.63 0.00 0.00 28.75 30.68 1rbm h GLU 141 CO 0.72 -0.04 1.06 -0.51 -0.73 0.00 0.00 179.01 179.52 1rbm s ASP 142 N -5.15 6.51 0.25 1.04 1.01 -1.26 -4.91 116.67 114.15 1rbm s ASP 142 Ca -0.14 2.62 -0.31 0.00 0.71 0.00 0.00 52.55 55.43 1rbm s ASP 142 Cb 0.08 -2.56 -0.12 0.00 1.01 0.00 0.00 42.92 41.33 1rbm s ASP 142 CO 0.67 -0.95 1.63 0.52 0.21 0.00 0.00 175.17 177.25 1rbm n VAL 143 N 4.76 0.55 -3.34 -1.27 0.31 -1.26 -2.68 118.33 115.41 1rbm n VAL 143 Ca 0.17 -0.14 -0.24 0.00 -0.01 0.00 0.00 64.34 64.12 1rbm n VAL 143 Cb 0.39 -1.90 0.01 0.00 -0.91 0.00 0.00 33.84 31.44 1rbm n VAL 143 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1rbm n ASP 144 N 2.95 -4.71 0.00 4.52 8.00 -1.26 -4.82 116.55 121.22 1rbm n ASP 144 Ca 0.12 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.21 1rbm n ASP 144 Cb 0.35 -3.84 0.00 0.00 -0.02 0.00 0.00 41.12 37.61 1rbm n ASP 144 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rbm n ALA 145 N -3.73 0.89 -1.54 2.24 0.00 -1.09 -4.94 120.51 112.34 1rbm n ALA 145 Ca -0.04 -0.38 -0.30 0.00 0.00 0.00 0.00 53.44 52.73 1rbm n ALA 145 Cb 0.56 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.21 1rbm n ALA 145 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rbm s GLY 146 N -0.11 1.67 0.24 0.00 0.00 -1.24 -4.90 107.32 102.98 1rbm s GLY 146 Ca 0.00 -0.98 -0.30 0.00 0.00 0.00 0.00 44.72 43.44 1rbm s GLY 146 CO 0.00 -0.21 1.37 1.20 0.00 0.00 0.00 173.10 175.47 1rbm s GLN 147 N -5.60 4.33 -0.04 2.90 -1.52 -1.23 -4.64 119.66 113.86 1rbm s GLN 147 Ca 0.71 2.20 -0.28 0.00 -1.95 0.00 0.00 55.36 56.03 1rbm s GLN 147 Cb -0.08 -3.14 -0.03 0.00 -0.22 0.00 0.00 33.01 29.55 1rbm s GLN 147 CO 0.54 -0.32 0.91 0.42 -0.25 0.00 0.00 175.29 176.59 1rbm s ILE 148 N -0.11 4.90 -0.07 1.08 1.01 -1.26 -0.83 121.20 125.91 1rbm s ILE 148 Ca 0.57 1.89 -0.06 0.00 0.00 0.00 0.00 60.65 63.05 1rbm s ILE 148 Cb -0.40 -4.24 -0.02 0.00 0.01 0.00 0.00 42.46 37.81 1rbm s ILE 148 CO 0.43 0.15 -0.11 -0.38 0.00 0.00 0.00 174.94 175.02 1rbm n ILE 149 N 4.02 0.69 -4.21 2.92 5.41 0.45 -4.94 119.36 123.70 1rbm n ILE 149 Ca 0.05 0.35 -0.17 0.00 1.00 0.00 0.00 62.75 63.98 1rbm n ILE 149 Cb 0.51 -1.92 -0.11 0.00 -0.71 0.00 0.00 39.64 37.41 1rbm n ILE 149 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1rbm s LEU 150 N -6.32 2.39 0.04 1.39 1.43 -1.13 -5.00 118.68 111.47 1rbm s LEU 150 Ca -0.10 -0.79 -0.02 0.00 -1.03 0.00 0.00 54.13 52.19 1rbm s LEU 150 Cb 0.01 -0.47 -0.02 0.00 0.03 0.00 0.00 46.19 45.74 1rbm s LEU 150 CO 0.14 -0.17 0.01 -1.10 0.23 0.00 0.00 176.35 175.46 1rbm s GLN 151 N -2.62 0.51 -0.08 1.70 -0.21 -1.26 -0.86 119.66 116.84 1rbm s GLN 151 Ca 0.07 -0.88 -0.04 0.00 0.02 0.00 0.00 55.36 54.53 1rbm s GLN 151 Cb -0.05 0.19 0.04 0.00 1.00 0.00 0.00 33.01 34.19 1rbm s GLN 151 CO 0.02 -0.11 0.18 -2.00 -2.12 0.00 0.00 175.29 171.27 1rbm s GLU 152 N -2.74 0.12 0.27 2.91 2.12 -0.57 -5.00 118.70 115.82 1rbm s GLU 152 Ca -0.04 0.45 -0.30 0.00 0.36 0.00 0.00 54.97 55.44 1rbm s GLU 152 Cb -0.01 -0.16 -0.09 0.00 0.26 0.00 0.00 34.13 34.13 1rbm s GLU 152 CO -0.05 -0.18 1.05 0.00 -0.54 0.00 0.00 175.26 175.54 1rbm s ALA 153 N 1.33 3.39 -0.04 6.30 0.00 -1.26 -0.79 121.76 130.68 1rbm s ALA 153 Ca -0.08 0.82 0.01 0.00 0.00 0.00 0.00 51.96 52.71 1rbm s ALA 153 Cb -0.11 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.74 1rbm s ALA 153 CO -0.07 -0.06 -0.04 0.08 0.00 0.00 0.00 175.76 175.67 1rbm s VAL 154 N -1.15 0.53 0.66 0.00 1.01 0.12 -4.90 120.40 116.67 1rbm s VAL 154 Ca 0.44 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.13 1rbm s VAL 154 Cb -0.30 -0.55 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 1rbm s VAL 154 CO 0.38 0.22 1.16 -2.16 0.00 0.00 0.00 175.10 174.70 1rbm s PRO 155 N 0.89 2.69 -0.20 2.72 0.04 -1.26 -0.65 135.00 139.22 1rbm s PRO 155 Ca -0.12 1.59 -0.09 0.00 0.04 0.00 0.00 61.00 62.43 1rbm s PRO 155 Cb -0.14 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1rbm s PRO 155 CO 0.00 -1.37 0.10 0.08 0.04 0.00 0.00 177.00 175.85 1rbm s VAL 156 N -2.05 5.04 0.03 -0.36 1.01 0.14 -4.74 120.40 119.45 1rbm s VAL 156 Ca 0.71 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 62.57 1rbm s VAL 156 Cb -0.25 -3.30 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 1rbm s VAL 156 CO 0.40 0.42 0.53 -0.54 0.00 0.00 0.00 175.10 175.91 1rbm s LYS 157 N 0.58 4.18 0.15 2.72 1.02 -1.26 -4.83 119.74 122.29 1rbm s LYS 157 Ca 0.05 0.64 -0.34 0.00 0.02 0.00 0.00 55.97 56.34 1rbm s LYS 157 Cb -0.12 -3.27 -0.14 0.00 -0.52 0.00 0.00 37.83 33.77 1rbm s LYS 157 CO 0.01 0.55 1.55 0.54 -0.92 0.00 0.00 175.35 177.08 1rbm n ARG 158 N 2.11 2.01 -0.45 1.68 1.74 -1.26 -1.07 116.66 121.43 1rbm n ARG 158 Ca -0.10 0.72 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 1rbm n ARG 158 Cb 0.51 -2.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.48 1rbm n ARG 158 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rbm n GLY 159 N 3.30 1.17 3.52 -0.13 0.00 -1.26 -5.05 105.19 106.74 1rbm n GLY 159 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 1rbm n GLY 159 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rbm n ASP 160 N 0.00 0.32 -5.00 1.61 8.00 -0.23 -5.04 116.55 116.21 1rbm n ASP 160 Ca 0.00 1.14 -0.20 0.00 0.71 0.00 0.00 54.79 56.44 1rbm n ASP 160 Cb 0.00 -1.17 0.04 0.00 -0.02 0.00 0.00 41.12 39.97 1rbm n ASP 160 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1rbm s THR 161 N -1.07 2.25 0.26 -3.53 -4.23 -1.26 -4.94 115.64 103.10 1rbm s THR 161 Ca 0.61 -1.10 -0.03 0.00 -1.18 0.00 0.00 61.69 59.99 1rbm s THR 161 Cb -0.76 -2.35 0.23 0.00 1.34 0.00 0.00 72.50 70.96 1rbm s THR 161 CO 0.59 0.00 1.82 0.58 -0.54 0.00 0.00 174.62 177.07 1rbm h VAL 162 N 0.41 0.92 -0.18 2.29 2.07 -1.96 -1.82 116.25 117.97 1rbm h VAL 162 Ca -0.33 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1rbm h VAL 162 Cb 1.29 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1rbm h VAL 162 CO 0.45 0.16 0.01 0.00 0.02 0.00 0.00 177.57 178.21 1rbm h ALA 163 N 1.48 0.24 -0.43 1.67 0.00 -1.98 0.52 119.26 120.76 1rbm h ALA 163 Ca 0.43 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1rbm h ALA 163 Cb 0.39 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1rbm h ALA 163 CO -0.25 -0.06 -0.31 1.79 0.00 0.00 0.00 179.25 180.42 1rbm h THR 164 N 0.08 1.27 -0.44 0.00 1.35 -1.90 -1.73 112.91 111.54 1rbm h THR 164 Ca 0.05 -1.48 -0.10 0.00 -0.55 0.00 0.00 66.41 64.34 1rbm h THR 164 Cb 0.36 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.02 1rbm h THR 164 CO 0.01 0.50 -0.10 0.25 -0.25 0.00 0.00 175.52 175.93 1rbm h LEU 165 N 0.81 0.84 -0.68 3.87 5.85 -1.37 -2.53 115.31 122.10 1rbm h LEU 165 Ca 0.08 -0.36 0.08 0.00 0.84 0.00 0.00 57.88 58.53 1rbm h LEU 165 Cb 0.90 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 1rbm h LEU 165 CO 0.08 1.01 0.35 -1.28 -0.34 0.00 0.00 178.44 178.26 1rbm h SER 166 N 0.67 0.47 -0.59 1.25 0.87 -0.79 -1.69 113.55 113.74 1rbm h SER 166 Ca 0.11 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.68 1rbm h SER 166 Cb 0.64 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.54 1rbm h SER 166 CO 0.04 0.29 0.19 -0.33 -0.53 0.00 0.00 176.83 176.49 1rbm h GLU 167 N 0.61 0.92 -0.52 2.24 4.39 -1.12 -1.01 114.58 120.09 1rbm h GLU 167 Ca 0.33 -0.19 -0.09 0.00 0.34 0.00 0.00 59.36 59.75 1rbm h GLU 167 Cb 0.30 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1rbm h GLU 167 CO -0.24 0.81 -0.01 -0.09 -1.16 0.00 0.00 179.01 178.32 1rbm h ARG 168 N 0.84 0.93 -0.28 2.33 2.43 -1.09 -2.95 114.38 116.59 1rbm h ARG 168 Ca 0.19 -0.30 -0.12 0.00 -0.81 0.00 0.00 59.98 58.94 1rbm h ARG 168 Cb 0.27 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1rbm h ARG 168 CO -0.01 0.95 -0.32 0.28 -1.51 0.00 0.00 179.97 179.36 1rbm h VAL 169 N 0.80 1.28 -0.94 0.20 2.07 -1.24 -3.06 116.25 115.36 1rbm h VAL 169 Ca 0.15 -1.44 0.08 0.00 0.82 0.00 0.00 66.70 66.31 1rbm h VAL 169 Cb 0.54 1.42 -0.07 0.00 -1.52 0.00 0.00 31.29 31.66 1rbm h VAL 169 CO 0.03 0.46 0.59 0.11 0.02 0.00 0.00 177.57 178.78 1rbm h LYS 170 N 0.51 1.00 -0.86 1.57 1.57 -1.03 0.24 116.57 119.57 1rbm h LYS 170 Ca 0.06 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1rbm h LYS 170 Cb 0.81 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 1rbm h LYS 170 CO 0.07 0.66 0.56 -0.07 -0.57 0.00 0.00 179.45 180.10 1rbm h LEU 171 N 1.03 0.86 -0.20 2.94 3.38 -1.42 -1.12 115.31 120.79 1rbm h LEU 171 Ca 0.43 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.21 1rbm h LEU 171 Cb 0.27 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.84 1rbm h LEU 171 CO -0.20 0.56 -0.61 0.00 0.09 0.00 0.00 178.44 178.28 1rbm h ALA 172 N 1.53 0.34 -0.61 1.53 0.00 -1.29 -3.23 119.26 117.53 1rbm h ALA 172 Ca 0.36 -0.54 0.11 0.00 0.00 0.00 0.00 54.91 54.85 1rbm h ALA 172 Cb 0.17 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 1rbm h ALA 172 CO -0.13 0.60 0.17 0.93 0.00 0.00 0.00 179.25 180.82 1rbm h GLU 173 N 0.49 0.30 0.00 0.00 5.08 -0.40 -1.12 114.58 118.93 1rbm h GLU 173 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1rbm h GLU 173 Cb 1.23 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1rbm h GLU 173 CO 0.13 0.20 0.00 0.45 -1.00 0.00 0.00 179.01 178.79 1rbm h HIS 174 N 0.31 0.00 0.00 4.33 3.86 -1.27 -1.14 115.15 121.23 1rbm h HIS 174 Ca 0.32 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.53 1rbm h HIS 174 Cb 0.46 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.93 1rbm h HIS 174 CO -0.22 0.00 -0.18 0.87 0.86 0.00 0.00 177.93 179.26 1rbm h LYS 175 N 0.00 0.00 0.00 2.45 1.57 -1.27 -3.40 116.57 115.92 1rbm h LYS 175 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1rbm h LYS 175 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1rbm h LYS 175 CO 0.00 0.08 -0.53 -0.84 -0.57 0.00 0.00 179.45 177.59 1rbm h ILE 176 N -1.00 1.19 0.07 1.86 3.07 -1.08 -2.91 117.51 118.71 1rbm h ILE 176 Ca -0.01 -1.96 -0.00 0.00 1.55 0.00 0.00 64.86 64.44 1rbm h ILE 176 Cb 0.23 2.11 0.00 0.00 -0.27 0.00 0.00 36.82 38.90 1rbm h ILE 176 CO -0.01 0.52 -0.03 0.15 -1.05 0.00 0.00 178.15 177.73 1rbm h PHE 177 N 0.00 -0.09 -0.68 0.16 3.57 -1.46 0.77 116.94 119.21 1rbm h PHE 177 Ca -0.01 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.58 1rbm h PHE 177 Cb 1.07 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.77 1rbm h PHE 177 CO 0.00 0.30 0.33 -1.35 -2.23 0.00 0.00 178.31 175.36 1rbm h PRO 178 N -0.50 0.55 -0.79 6.41 0.11 -1.78 0.70 132.00 136.70 1rbm h PRO 178 Ca -0.01 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 1rbm h PRO 178 Cb 0.43 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.38 1rbm h PRO 178 CO 0.02 0.36 0.31 0.00 -0.21 0.00 0.00 178.00 178.47 1rbm h ALA 179 N 1.41 1.03 -0.19 -0.75 0.00 -1.38 -0.93 119.26 118.46 1rbm h ALA 179 Ca 0.33 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1rbm h ALA 179 Cb 0.34 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1rbm h ALA 179 CO -0.26 0.67 -0.54 0.00 0.00 0.00 0.00 179.25 179.12 1rbm h ALA 180 N 1.16 0.71 -0.18 0.00 0.00 -0.51 -1.77 119.26 118.67 1rbm h ALA 180 Ca 0.26 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1rbm h ALA 180 Cb 0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1rbm h ALA 180 CO -0.02 0.68 0.10 1.25 0.00 0.00 0.00 179.25 181.27 1rbm h LEU 181 N 0.43 0.22 -0.77 0.00 5.85 -0.42 -2.32 115.31 118.30 1rbm h LEU 181 Ca 0.01 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.72 1rbm h LEU 181 Cb 1.07 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 1rbm h LEU 181 CO 0.10 0.23 0.46 1.56 -0.34 0.00 0.00 178.44 180.45 1rbm h GLN 182 N 0.20 0.81 -0.64 1.25 1.08 -0.98 0.54 115.11 117.36 1rbm h GLN 182 Ca 0.06 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1rbm h GLN 182 Cb 0.06 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.27 1rbm h GLN 182 CO -0.01 0.53 0.42 -0.07 -0.95 0.00 0.00 178.83 178.75 1rbm h LEU 183 N 0.83 0.71 0.00 1.46 3.38 -1.19 -1.09 115.31 119.41 1rbm h LEU 183 Ca 0.35 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.19 1rbm h LEU 183 Cb 0.20 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1rbm h LEU 183 CO -0.19 0.51 -0.46 0.58 0.09 0.00 0.00 178.44 178.98 1rbm h VAL 184 N 0.85 1.48 0.00 1.22 2.07 -0.93 -0.26 116.25 120.67 1rbm h VAL 184 Ca 0.24 -2.04 -0.00 0.00 0.82 0.00 0.00 66.70 65.71 1rbm h VAL 184 Cb -0.08 2.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1rbm h VAL 184 CO -0.06 0.58 -0.02 0.00 0.02 0.00 0.00 177.57 178.08 1rbm h ALA 185 N 0.28 1.63 -0.00 1.67 0.00 -0.87 -1.60 119.26 120.36 1rbm h ALA 185 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1rbm h ALA 185 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1rbm h ALA 185 CO 0.09 0.03 -0.26 -1.13 0.00 0.00 0.00 179.25 177.98 1rbm n SER 186 N -4.03 0.73 -0.18 0.00 3.41 -0.42 -4.56 113.62 108.58 1rbm n SER 186 Ca -0.03 -0.60 -0.02 0.00 -0.26 0.00 0.00 58.87 57.95 1rbm n SER 186 Cb 0.11 0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.13 1rbm n SER 186 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rbm n GLY 187 N 1.37 0.55 0.20 5.00 0.00 -0.60 -4.92 105.19 106.79 1rbm n GLY 187 Ca 0.11 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 1rbm n GLY 187 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1rbm h THR 188 N 0.00 1.34 -3.29 2.61 2.02 -1.31 -3.43 112.91 110.86 1rbm h THR 188 Ca -0.05 -1.97 -0.67 0.00 0.77 0.00 0.00 66.41 64.48 1rbm h THR 188 Cb 0.32 1.95 -0.33 0.00 -1.74 0.00 0.00 68.15 68.34 1rbm h THR 188 CO 0.07 0.61 -0.87 -0.69 0.37 0.00 0.00 175.52 175.00 1rbm s VAL 189 N -3.79 2.04 0.11 3.16 1.01 -0.71 -0.21 120.40 121.99 1rbm s VAL 189 Ca -0.07 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 60.96 1rbm s VAL 189 Cb 0.10 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1rbm s VAL 189 CO 0.85 0.55 -0.11 -1.10 0.00 0.00 0.00 175.10 175.29 1rbm s GLN 190 N 0.53 0.90 -0.36 2.72 -0.21 -0.51 -4.30 119.66 118.43 1rbm s GLN 190 Ca -0.14 -1.19 -0.26 0.00 0.02 0.00 0.00 55.36 53.79 1rbm s GLN 190 Cb -0.17 -0.65 0.02 0.00 1.00 0.00 0.00 33.01 33.21 1rbm s GLN 190 CO 0.05 0.11 0.95 -1.17 -2.12 0.00 0.00 175.29 173.11 1rbm s LEU 191 N -2.46 3.97 0.59 2.90 0.20 -1.26 -1.26 118.68 121.36 1rbm s LEU 191 Ca 0.07 0.66 -0.16 0.00 0.69 0.00 0.00 54.13 55.38 1rbm s LEU 191 Cb -0.03 -3.31 -0.04 0.00 -0.43 0.00 0.00 46.19 42.38 1rbm s LEU 191 CO 0.01 -0.87 1.07 -0.83 -0.29 0.00 0.00 176.35 175.44 1rbm s GLY 192 N 1.86 2.20 0.26 7.98 0.00 0.10 -4.91 107.32 114.82 1rbm s GLY 192 Ca 0.40 0.47 -0.02 0.00 0.00 0.00 0.00 44.72 45.56 1rbm s GLY 192 CO 0.18 0.79 1.67 0.83 0.00 0.00 0.00 173.10 176.58 1rbm h GLU 193 N 0.54 0.25 0.00 2.90 5.08 -1.97 0.31 114.58 121.70 1rbm h GLU 193 Ca -0.47 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1rbm h GLU 193 Cb 1.23 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1rbm h GLU 193 CO 0.57 0.17 0.00 0.27 -1.00 0.00 0.00 179.01 179.02 1rbm n ASN 194 N -5.17 0.00 -0.47 1.42 6.94 -1.26 -4.78 115.26 111.94 1rbm n ASN 194 Ca 0.17 -0.40 -0.05 0.00 -0.02 0.00 0.00 54.58 54.28 1rbm n ASN 194 Cb 0.55 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.95 1rbm n ASN 194 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rbm n GLY 195 N -0.35 0.60 3.32 4.83 0.00 0.11 -5.03 105.19 108.67 1rbm n GLY 195 Ca 0.01 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 1rbm n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rbm s LYS 196 N -3.00 1.49 0.32 1.61 -0.14 -1.21 -4.88 119.74 113.93 1rbm s LYS 196 Ca 0.00 -1.13 -0.29 0.00 -1.36 0.00 0.00 55.97 53.20 1rbm s LYS 196 Cb 0.00 -1.74 -0.10 0.00 -1.68 0.00 0.00 37.83 34.31 1rbm s LYS 196 CO 0.00 0.43 1.35 -1.50 -0.76 0.00 0.00 175.35 174.88 1rbm s ILE 197 N -0.91 2.65 -0.01 2.17 2.07 -1.26 0.03 121.20 125.94 1rbm s ILE 197 Ca 0.10 0.62 0.02 0.00 -1.41 0.00 0.00 60.65 59.99 1rbm s ILE 197 Cb -0.10 -3.40 -0.00 0.00 0.13 0.00 0.00 42.46 39.09 1rbm s ILE 197 CO 0.03 0.14 -0.06 0.00 -1.91 0.00 0.00 174.94 173.14 1rbm s TRP 199 N -0.06 3.32 -2.94 0.00 0.52 -1.26 -1.42 118.94 117.10 1rbm s TRP 199 Ca 0.01 0.21 0.25 0.00 0.02 0.00 0.00 56.10 56.58 1rbm s TRP 199 Cb -0.03 -2.02 0.30 0.00 -1.15 0.00 0.00 33.47 30.57 1rbm s TRP 199 CO -0.00 0.33 1.32 0.28 0.02 0.00 0.00 176.95 178.90