#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5rsa n GLU 2 N 0.00 1.83 -1.51 1.64 2.13 -1.26 -4.95 120.64 118.52 5rsa n GLU 2 Ca 0.00 0.66 -0.31 0.00 0.66 0.00 0.00 57.16 58.17 5rsa n GLU 2 Cb 0.00 -2.41 0.06 0.00 0.27 0.00 0.00 31.44 29.36 5rsa n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 5rsa s THR 3 N 1.79 3.60 0.25 6.31 -4.23 -1.26 -4.85 115.64 117.25 5rsa s THR 3 Ca 0.85 0.57 -0.05 0.00 -1.18 0.00 0.00 61.69 61.88 5rsa s THR 3 Cb -0.78 -3.15 0.22 0.00 1.34 0.00 0.00 72.50 70.13 5rsa s THR 3 CO 0.46 -0.63 1.89 0.00 -0.54 0.00 0.00 174.62 175.80 5rsa h ALA 4 N -0.67 1.23 -0.28 3.99 0.00 -1.94 0.15 119.26 121.74 5rsa h ALA 4 Ca -0.44 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 5rsa h ALA 4 Cb 1.22 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 5rsa h ALA 4 CO 0.54 0.64 0.04 0.00 0.00 0.00 0.00 179.25 180.47 5rsa h ALA 5 N 1.33 0.38 -0.32 0.00 0.00 -1.89 -0.42 119.26 118.34 5rsa h ALA 5 Ca 0.32 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 5rsa h ALA 5 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 5rsa h ALA 5 CO -0.06 0.07 -0.33 0.00 0.00 0.00 0.00 179.25 178.94 5rsa h ALA 6 N 0.86 0.83 -0.69 0.00 0.00 -1.86 -2.75 119.26 115.65 5rsa h ALA 6 Ca 0.08 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 5rsa h ALA 6 Cb 0.35 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 5rsa h ALA 6 CO 0.01 0.64 0.42 -0.22 0.00 0.00 0.00 179.25 180.09 5rsa h LYS 7 N 0.58 0.94 -0.37 0.00 3.64 -0.71 -1.65 116.57 119.00 5rsa h LYS 7 Ca 0.06 -0.09 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 5rsa h LYS 7 Cb 0.84 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.41 5rsa h LYS 7 CO 0.07 0.67 0.04 0.35 -2.27 0.00 0.00 179.45 178.32 5rsa h PHE 8 N 0.94 0.06 -0.70 1.91 3.57 -0.95 -0.14 116.94 121.64 5rsa h PHE 8 Ca 0.25 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 5rsa h PHE 8 Cb -0.03 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 5rsa h PHE 8 CO -0.01 -0.02 0.30 0.93 -2.23 0.00 0.00 178.31 177.27 5rsa h GLU 9 N 0.16 1.03 -0.40 1.11 5.08 -1.17 0.33 114.58 120.71 5rsa h GLU 9 Ca 0.18 -0.18 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 5rsa h GLU 9 Cb 0.22 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 5rsa h GLU 9 CO -0.26 0.84 -0.26 -0.09 -1.00 0.00 0.00 179.01 178.24 5rsa h ARG 10 N 0.98 0.83 0.01 2.33 2.43 -0.62 -1.58 114.38 118.76 5rsa h ARG 10 Ca 0.23 -0.36 -0.25 0.00 -0.81 0.00 0.00 59.98 58.79 5rsa h ARG 10 Cb 0.18 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 5rsa h ARG 10 CO -0.02 0.99 -1.36 1.96 -1.51 0.00 0.00 179.97 180.03 5rsa h GLN 11 N 0.71 0.02 0.00 0.20 4.20 -0.92 -3.42 115.11 115.90 5rsa h GLN 11 Ca 0.09 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.77 5rsa h GLN 11 Cb 0.80 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.59 5rsa h GLN 11 CO 0.07 0.78 0.00 0.72 -0.67 0.00 0.00 178.83 179.73 5rsa n HIS 12 N -3.22 0.00 -4.39 2.96 8.25 0.09 -4.72 115.22 114.19 5rsa n HIS 12 Ca -0.09 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.03 5rsa n HIS 12 Cb 1.00 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.99 5rsa n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 5rsa s MET 13 N -0.21 3.61 -0.45 -0.41 -1.94 -0.59 -0.54 119.30 118.76 5rsa s MET 13 Ca 0.00 -0.51 0.06 0.00 -1.71 0.00 0.00 55.69 53.53 5rsa s MET 13 Cb 0.00 -2.91 0.21 0.00 2.01 0.00 0.00 34.83 34.14 5rsa s MET 13 CO 0.00 0.29 0.46 -3.47 -0.01 0.00 0.00 175.02 172.29 5rsa n ASP 14 N 3.38 0.47 0.00 3.03 2.03 0.27 -4.84 116.55 120.90 5rsa n ASP 14 Ca -0.17 -2.67 0.10 0.00 0.52 0.00 0.00 54.79 52.56 5rsa n ASP 14 Cb 0.53 -0.62 0.49 0.00 -0.72 0.00 0.00 41.12 40.80 5rsa n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 5rsa n SER 15 N 2.03 0.00 -0.94 1.67 7.64 -1.26 -3.57 113.62 119.20 5rsa n SER 15 Ca 0.26 0.01 0.12 0.00 1.01 0.00 0.00 58.87 60.27 5rsa n SER 15 Cb 0.48 -0.29 0.23 0.00 -1.01 0.00 0.00 64.21 63.63 5rsa n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 5rsa n SER 16 N -1.29 2.86 -3.97 6.43 3.41 -1.26 -4.82 113.62 114.98 5rsa n SER 16 Ca 0.09 -1.91 -0.12 0.00 -0.26 0.00 0.00 58.87 56.67 5rsa n SER 16 Cb 0.16 -0.13 -0.13 0.00 -0.26 0.00 0.00 64.21 63.85 5rsa n SER 16 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 5rsa s THR 17 N -1.75 0.27 -0.23 6.66 2.01 -1.23 -5.05 115.64 116.32 5rsa s THR 17 Ca 0.34 -0.58 0.21 0.00 0.31 0.00 0.00 61.69 61.97 5rsa s THR 17 Cb 0.21 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 72.41 5rsa s THR 17 CO 0.31 -0.20 1.07 0.28 -0.69 0.00 0.00 174.62 175.38 5rsa h SER 18 N 5.28 0.00 -5.34 3.53 0.02 -1.87 -3.43 113.55 111.74 5rsa h SER 18 Ca -0.30 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 60.82 5rsa h SER 18 Cb 1.20 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.68 5rsa h SER 18 CO 0.45 0.16 0.51 0.00 -1.14 0.00 0.00 176.83 176.81 5rsa s ALA 19 N -3.23 -1.60 0.30 3.77 0.00 -1.26 -4.83 121.76 114.90 5rsa s ALA 19 Ca -0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.67 5rsa s ALA 19 Cb 0.09 0.67 -0.10 0.00 0.00 0.00 0.00 23.12 23.78 5rsa s ALA 19 CO 0.78 -1.05 0.91 0.00 0.00 0.00 0.00 175.76 176.40 5rsa s ALA 20 N -2.92 3.25 0.00 0.00 0.00 -1.26 -4.96 121.76 115.87 5rsa s ALA 20 Ca 0.15 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.58 5rsa s ALA 20 Cb -0.02 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.98 5rsa s ALA 20 CO 0.03 0.20 0.75 -1.13 0.00 0.00 0.00 175.76 175.62 5rsa n SER 21 N 0.65 1.47 -3.76 0.00 3.41 -1.26 -4.98 113.62 109.15 5rsa n SER 21 Ca 0.01 -1.52 -0.10 0.00 -0.26 0.00 0.00 58.87 57.00 5rsa n SER 21 Cb 0.50 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.41 5rsa n SER 21 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 5rsa s SER 22 N -0.52 -0.23 0.00 4.04 1.04 -1.26 -5.03 113.70 111.73 5rsa s SER 22 Ca 0.00 -0.51 0.22 0.00 0.48 0.00 0.00 55.95 56.14 5rsa s SER 22 Cb 0.00 0.57 1.16 0.00 0.10 0.00 0.00 66.02 67.85 5rsa s SER 22 CO 0.00 -1.04 1.72 -1.54 0.98 0.00 0.00 173.24 173.36 5rsa n SER 23 N -0.33 0.00 -0.21 7.02 3.41 -1.26 -2.85 113.62 119.40 5rsa n SER 23 Ca -0.10 -0.16 0.13 0.00 -0.26 0.00 0.00 58.87 58.48 5rsa n SER 23 Cb 0.62 -0.23 0.44 0.00 -0.26 0.00 0.00 64.21 64.78 5rsa n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 5rsa n ASN 24 N -1.23 0.87 -0.07 4.04 3.02 -1.26 -4.45 115.26 116.19 5rsa n ASN 24 Ca 0.12 -0.79 -0.10 0.00 -0.03 0.00 0.00 54.58 53.77 5rsa n ASN 24 Cb 0.16 0.08 -0.05 0.00 -0.61 0.00 0.00 39.78 39.36 5rsa n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 5rsa h TYR 25 N 1.02 -1.14 -0.36 3.10 3.20 -1.92 -0.11 116.97 120.77 5rsa h TYR 25 Ca 0.00 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.94 5rsa h TYR 25 Cb 0.47 0.54 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 5rsa h TYR 25 CO 0.00 -0.44 0.21 0.00 -1.64 0.00 0.00 178.16 176.29 5rsa h ASN 27 N 0.43 0.34 0.22 0.00 2.35 -1.69 -0.10 115.58 117.12 5rsa h ASN 27 Ca 0.14 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 5rsa h ASN 27 Cb 0.00 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.33 5rsa h ASN 27 CO -0.07 0.24 -0.10 1.56 -1.65 0.00 0.00 177.43 177.41 5rsa h GLN 28 N 0.45 -0.28 -0.55 0.81 7.50 -0.39 -3.13 115.11 119.53 5rsa h GLN 28 Ca 0.18 0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.34 5rsa h GLN 28 Cb 0.08 0.06 -0.03 0.00 0.05 0.00 0.00 27.48 27.65 5rsa h GLN 28 CO -0.12 0.02 0.28 0.52 -1.50 0.00 0.00 178.83 178.03 5rsa h MET 29 N -0.59 0.78 -0.99 1.46 2.86 -0.90 -0.39 114.93 117.16 5rsa h MET 29 Ca -0.03 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.53 5rsa h MET 29 Cb 0.43 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.89 5rsa h MET 29 CO 0.05 0.63 0.65 0.52 1.06 0.00 0.00 176.91 179.82 5rsa h MET 30 N 0.74 1.25 0.05 1.72 2.86 -1.13 -0.92 114.93 119.50 5rsa h MET 30 Ca 0.19 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 5rsa h MET 30 Cb 0.09 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 31.47 5rsa h MET 30 CO -0.03 0.82 -0.02 -0.22 1.06 0.00 0.00 176.91 178.52 5rsa h LYS 31 N 1.28 -0.06 -0.05 1.72 3.64 -1.45 0.10 116.57 121.75 5rsa h LYS 31 Ca 0.39 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.76 5rsa h LYS 31 Cb -0.05 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 5rsa h LYS 31 CO -0.11 0.56 -0.03 0.66 -2.27 0.00 0.00 179.45 178.26 5rsa h SER 32 N -0.81 0.06 -0.35 4.20 4.64 -0.97 0.32 113.55 120.64 5rsa h SER 32 Ca -0.01 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 5rsa h SER 32 Cb 0.65 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 5rsa h SER 32 CO 0.01 0.11 0.00 0.54 -0.87 0.00 0.00 176.83 176.62 5rsa n ARG 33 N -4.46 1.85 -2.42 4.77 5.12 -0.36 -4.91 116.66 116.25 5rsa n ARG 33 Ca -0.02 -1.26 -0.20 0.00 -1.93 0.00 0.00 57.85 54.43 5rsa n ARG 33 Cb 0.14 -1.29 -0.01 0.00 -1.16 0.00 0.00 32.46 30.14 5rsa n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 5rsa n ASN 34 N 0.51 -5.77 -0.10 0.55 5.15 0.10 -4.85 115.26 110.85 5rsa n ASN 34 Ca 0.12 -0.04 0.14 0.00 -0.60 0.00 0.00 54.58 54.21 5rsa n ASN 34 Cb 0.31 -4.78 0.66 0.00 -0.53 0.00 0.00 39.78 35.45 5rsa n ASN 34 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 5rsa n LEU 35 N -2.96 0.40 -0.41 1.20 4.77 0.36 -3.82 117.00 116.54 5rsa n LEU 35 Ca -0.23 0.03 0.07 0.00 -0.03 0.00 0.00 56.01 55.85 5rsa n LEU 35 Cb 0.68 -0.17 0.18 0.00 -2.33 0.00 0.00 43.42 41.78 5rsa n LEU 35 CO 0.29 0.07 0.53 0.35 -1.33 0.00 0.00 177.39 177.30 5rsa n THR 36 N -0.96 2.08 -0.02 -5.08 -2.24 -1.22 -3.52 114.28 103.33 5rsa n THR 36 Ca 0.16 -2.57 -0.16 0.00 -2.27 0.00 0.00 64.05 59.21 5rsa n THR 36 Cb 0.26 -0.25 -0.11 0.00 -2.10 0.00 0.00 70.33 68.13 5rsa n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 5rsa h LYS 37 N 0.57 0.24 0.00 -0.78 6.56 -1.90 -3.36 116.57 117.90 5rsa h LYS 37 Ca 0.02 -0.26 -0.19 0.00 -1.06 0.00 0.00 60.65 59.15 5rsa h LYS 37 Cb 1.10 0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 32.80 5rsa h LYS 37 CO 0.06 0.98 -1.68 -0.25 -2.06 0.00 0.00 179.45 176.50 5rsa n ASP 38 N -4.41 0.60 -3.66 0.86 9.92 -1.26 -5.03 116.55 113.57 5rsa n ASP 38 Ca -0.10 0.27 -0.01 0.00 -0.53 0.00 0.00 54.79 54.42 5rsa n ASP 38 Cb 0.56 0.51 -0.01 0.00 -0.64 0.00 0.00 41.12 41.55 5rsa n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 5rsa s ARG 39 N -2.89 0.70 -0.50 -1.24 1.70 -1.26 -5.11 118.95 110.35 5rsa s ARG 39 Ca -0.05 -0.38 -0.26 0.00 -0.47 0.00 0.00 55.73 54.57 5rsa s ARG 39 Cb 0.09 0.25 0.03 0.00 -0.57 0.00 0.00 34.95 34.75 5rsa s ARG 39 CO 0.83 -0.32 1.01 0.00 -1.08 0.00 0.00 175.30 175.73 5rsa s LYS 41 N 4.11 4.20 0.30 0.00 2.20 -1.23 -4.88 119.74 124.45 5rsa s LYS 41 Ca 0.38 2.33 0.04 0.00 -0.36 0.00 0.00 55.97 58.36 5rsa s LYS 41 Cb -0.10 -3.56 0.50 0.00 -1.51 0.00 0.00 37.83 33.16 5rsa s LYS 41 CO 0.26 -0.72 1.77 -1.00 -0.36 0.00 0.00 175.35 175.29 5rsa h PRO 42 N 8.17 0.42 -3.04 4.03 0.13 -1.94 -3.45 132.00 136.32 5rsa h PRO 42 Ca -0.43 -0.14 -0.16 0.00 -0.87 0.00 0.00 66.00 64.41 5rsa h PRO 42 Cb 1.20 -0.03 -0.25 0.00 0.13 0.00 0.00 31.00 32.05 5rsa h PRO 42 CO 0.93 0.62 -0.38 0.08 -0.23 0.00 0.00 178.00 179.01 5rsa s VAL 43 N -4.54 -0.00 -0.15 1.56 1.01 -1.26 -1.15 120.40 115.86 5rsa s VAL 43 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.71 5rsa s VAL 43 Cb 0.14 -0.40 0.05 0.00 0.00 0.00 0.00 36.38 36.17 5rsa s VAL 43 CO 0.78 0.00 0.54 0.21 0.00 0.00 0.00 175.10 176.63 5rsa s ASN 44 N 0.17 -0.54 -0.04 3.32 2.47 -0.64 -5.03 114.94 114.65 5rsa s ASN 44 Ca -0.00 0.90 0.05 0.00 0.42 0.00 0.00 52.86 54.23 5rsa s ASN 44 Cb -0.02 0.91 -0.02 0.00 -1.45 0.00 0.00 41.25 40.67 5rsa s ASN 44 CO 0.00 -0.30 -0.19 -0.89 -3.72 0.00 0.00 177.10 172.00 5rsa s THR 45 N -0.20 2.69 -0.09 -5.21 2.01 -1.26 -0.92 115.64 112.65 5rsa s THR 45 Ca -0.04 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.10 5rsa s THR 45 Cb -0.03 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 5rsa s THR 45 CO 0.03 0.59 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.10 5rsa s PHE 46 N -0.64 2.89 -0.15 4.92 0.08 -0.29 -4.32 117.98 120.47 5rsa s PHE 46 Ca 0.10 -0.19 -0.03 0.00 0.12 0.00 0.00 56.93 56.93 5rsa s PHE 46 Cb -0.11 -1.77 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 5rsa s PHE 46 CO 0.00 0.14 -0.06 0.08 -0.10 0.00 0.00 175.22 175.28 5rsa s VAL 47 N -0.37 3.62 -0.94 -0.44 1.01 0.30 -1.32 120.40 122.27 5rsa s VAL 47 Ca 0.05 -0.45 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 5rsa s VAL 47 Cb -0.12 -2.57 0.31 0.00 0.00 0.00 0.00 36.38 33.99 5rsa s VAL 47 CO 0.02 0.50 1.45 1.41 0.00 0.00 0.00 175.10 178.48 5rsa n HIS 48 N 3.59 2.86 -4.11 5.22 -0.00 -0.56 0.97 115.22 123.19 5rsa n HIS 48 Ca -0.18 -2.96 -0.11 0.00 -0.00 0.00 0.00 57.72 54.48 5rsa n HIS 48 Cb 0.52 -1.04 -0.08 0.00 -0.00 0.00 0.00 29.99 29.39 5rsa n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 5rsa s GLU 49 N -3.44 1.36 0.52 -0.41 0.41 -1.26 -4.62 118.70 111.26 5rsa s GLU 49 Ca 0.38 -1.47 -0.20 0.00 -0.41 0.00 0.00 54.97 53.27 5rsa s GLU 49 Cb 0.15 0.36 -0.07 0.00 -1.78 0.00 0.00 34.13 32.78 5rsa s GLU 49 CO -0.03 -0.51 1.08 -1.54 -0.49 0.00 0.00 175.26 173.77 5rsa s SER 50 N -3.10 6.05 0.22 -0.19 1.04 -1.26 -4.11 113.70 112.34 5rsa s SER 50 Ca 0.32 2.02 -0.08 0.00 0.48 0.00 0.00 55.95 58.69 5rsa s SER 50 Cb 0.04 -2.57 0.17 0.00 0.10 0.00 0.00 66.02 63.76 5rsa s SER 50 CO 0.11 -0.99 1.81 0.25 0.98 0.00 0.00 173.24 175.40 5rsa h LEU 51 N 1.33 1.07 -0.87 2.42 5.85 -1.98 -2.22 115.31 120.90 5rsa h LEU 51 Ca -0.50 -0.14 0.15 0.00 0.84 0.00 0.00 57.88 58.24 5rsa h LEU 51 Cb 1.24 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 41.90 5rsa h LEU 51 CO 0.58 0.90 0.47 0.00 -0.34 0.00 0.00 178.44 180.05 5rsa h ALA 52 N 1.21 1.33 -0.05 1.25 0.00 -1.99 0.55 119.26 121.56 5rsa h ALA 52 Ca 0.28 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 5rsa h ALA 52 Cb 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 5rsa h ALA 52 CO -0.03 -0.06 -0.35 -0.44 0.00 0.00 0.00 179.25 178.36 5rsa h ASP 53 N 0.67 0.10 0.16 0.00 3.32 -1.80 -1.50 116.42 117.37 5rsa h ASP 53 Ca 0.47 -0.04 -0.21 0.00 0.02 0.00 0.00 57.03 57.28 5rsa h ASP 53 Cb 0.66 -0.03 0.03 0.00 0.22 0.00 0.00 39.33 40.21 5rsa h ASP 53 CO -0.35 0.45 -0.94 0.58 -1.72 0.00 0.00 179.24 177.26 5rsa h VAL 54 N 0.09 1.47 -0.39 -1.35 2.07 -0.38 -3.25 116.25 114.51 5rsa h VAL 54 Ca 0.01 -2.57 0.07 0.00 0.82 0.00 0.00 66.70 65.03 5rsa h VAL 54 Cb 0.67 3.18 -0.02 0.00 -1.52 0.00 0.00 31.29 33.60 5rsa h VAL 54 CO 0.05 0.74 0.27 1.56 0.02 0.00 0.00 177.57 180.20 5rsa h GLN 55 N -0.27 0.24 0.00 1.57 4.20 0.15 -0.83 115.11 120.16 5rsa h GLN 55 Ca -0.16 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.53 5rsa h GLN 55 Cb 1.74 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.47 5rsa h GLN 55 CO 0.18 0.16 0.00 0.00 -0.67 0.00 0.00 178.83 178.50 5rsa h ALA 56 N 1.79 1.00 0.00 3.87 0.00 -1.30 -1.75 119.26 122.87 5rsa h ALA 56 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 5rsa h ALA 56 Cb 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 5rsa h ALA 56 CO -0.03 0.00 -0.01 0.28 0.00 0.00 0.00 179.25 179.48 5rsa h VAL 57 N 0.00 0.37 0.00 0.00 2.07 -1.23 -1.93 116.25 115.54 5rsa h VAL 57 Ca 0.00 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.45 5rsa h VAL 57 Cb 0.28 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 5rsa h VAL 57 CO 0.00 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.60 5rsa n SER 59 N -1.18 2.05 -0.01 0.00 3.41 -0.72 -5.02 113.62 112.14 5rsa n SER 59 Ca 0.06 -2.28 0.00 0.00 -0.26 0.00 0.00 58.87 56.39 5rsa n SER 59 Cb 0.07 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 5rsa n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 5rsa n GLN 60 N -0.74 3.32 -2.59 4.33 6.02 0.53 -4.99 117.38 123.25 5rsa n GLN 60 Ca 0.04 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.60 5rsa n GLN 60 Cb 0.36 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.60 5rsa n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 5rsa s LYS 61 N 4.62 4.14 -0.02 -1.09 2.20 -1.05 -4.84 119.74 123.70 5rsa s LYS 61 Ca 0.00 1.28 -0.30 0.00 -0.36 0.00 0.00 55.97 56.59 5rsa s LYS 61 Cb 0.00 -3.72 -0.05 0.00 -1.51 0.00 0.00 37.83 32.55 5rsa s LYS 61 CO 0.00 -0.80 1.43 1.21 -0.36 0.00 0.00 175.35 176.83 5rsa s ASN 62 N 1.66 6.82 0.06 1.43 3.04 -1.26 0.60 114.94 127.30 5rsa s ASN 62 Ca 0.47 2.11 0.02 0.00 0.04 0.00 0.00 52.86 55.50 5rsa s ASN 62 Cb -0.15 -2.56 -0.03 0.00 -1.54 0.00 0.00 41.25 36.98 5rsa s ASN 62 CO 0.13 -0.76 -0.08 0.68 -3.04 0.00 0.00 177.10 174.03 5rsa s VAL 63 N 2.72 0.60 0.34 -5.21 -7.23 -0.33 -4.92 120.40 106.36 5rsa s VAL 63 Ca 0.65 -1.30 -0.28 0.00 -1.81 0.00 0.00 61.98 59.23 5rsa s VAL 63 Cb -0.31 -0.89 -0.10 0.00 0.56 0.00 0.00 36.38 35.64 5rsa s VAL 63 CO 0.26 -0.50 1.30 0.00 -0.31 0.00 0.00 175.10 175.85 5rsa s ALA 64 N -1.93 3.46 0.74 1.32 0.00 -1.26 -2.84 121.76 121.25 5rsa s ALA 64 Ca -0.04 1.24 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 5rsa s ALA 64 Cb -0.06 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.62 5rsa s ALA 64 CO -0.01 -0.64 1.08 0.00 0.00 0.00 0.00 175.76 176.19 5rsa h LYS 66 N -0.96 0.38 -0.06 0.00 3.64 -1.92 0.44 116.57 118.08 5rsa h LYS 66 Ca -0.44 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 5rsa h LYS 66 Cb 1.22 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 5rsa h LYS 66 CO 0.54 0.25 0.00 0.27 -2.27 0.00 0.00 179.45 178.23 5rsa n ASN 67 N -4.47 0.56 0.00 4.20 6.94 -1.26 -4.94 115.26 116.29 5rsa n ASN 67 Ca 0.14 -1.54 0.00 0.00 -0.02 0.00 0.00 54.58 53.16 5rsa n ASN 67 Cb 0.54 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 5rsa n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 5rsa n GLY 68 N 0.89 0.52 3.77 4.83 0.00 0.14 -5.06 105.19 110.28 5rsa n GLY 68 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 5rsa n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 5rsa s GLN 69 N -0.83 3.68 -0.00 1.61 -0.21 -1.26 -4.70 119.66 117.94 5rsa s GLN 69 Ca 0.00 1.94 0.17 0.00 0.02 0.00 0.00 55.36 57.49 5rsa s GLN 69 Cb 0.00 -2.45 0.50 0.00 1.00 0.00 0.00 33.01 32.06 5rsa s GLN 69 CO 0.00 -0.66 1.41 2.41 -2.12 0.00 0.00 175.29 176.33 5rsa n THR 70 N -0.47 1.02 -0.86 -0.19 -1.04 -1.26 0.81 114.28 112.29 5rsa n THR 70 Ca 0.07 -1.01 -0.07 0.00 -2.04 0.00 0.00 64.05 61.01 5rsa n THR 70 Cb 0.47 0.49 0.27 0.00 -1.82 0.00 0.00 70.33 69.74 5rsa n THR 70 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 5rsa n ASN 71 N 1.13 4.57 -4.92 8.00 6.94 -1.26 -4.80 115.26 124.91 5rsa n ASN 71 Ca 0.19 -3.13 -0.28 0.00 -0.02 0.00 0.00 54.58 51.34 5rsa n ASN 71 Cb 0.54 -0.73 -0.03 0.00 -2.36 0.00 0.00 39.78 37.19 5rsa n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 5rsa s TYR 73 N -1.86 -0.05 -0.14 0.00 2.02 0.12 -1.19 117.35 116.25 5rsa s TYR 73 Ca 0.40 0.12 -0.02 0.00 -0.37 0.00 0.00 57.07 57.20 5rsa s TYR 73 Cb -0.11 0.01 -0.02 0.00 -0.40 0.00 0.00 41.96 41.44 5rsa s TYR 73 CO 0.28 -0.06 -0.08 -1.14 -1.57 0.00 0.00 175.55 172.99 5rsa s GLN 74 N -0.12 3.53 0.25 -0.62 0.74 0.20 -0.93 119.66 122.71 5rsa s GLN 74 Ca -0.02 -0.60 -0.31 0.00 0.05 0.00 0.00 55.36 54.48 5rsa s GLN 74 Cb -0.01 -2.78 -0.11 0.00 1.10 0.00 0.00 33.01 31.20 5rsa s GLN 74 CO 0.00 0.22 1.61 -1.54 -0.55 0.00 0.00 175.29 175.02 5rsa s SER 75 N 0.39 6.43 0.26 6.67 1.04 0.34 -2.54 113.70 126.30 5rsa s SER 75 Ca -0.07 2.85 -0.04 0.00 0.48 0.00 0.00 55.95 59.17 5rsa s SER 75 Cb -0.15 -2.62 0.32 0.00 0.10 0.00 0.00 66.02 63.67 5rsa s SER 75 CO 0.04 -0.89 1.85 1.88 0.98 0.00 0.00 173.24 177.10 5rsa h TYR 76 N 5.67 1.06 -2.01 5.02 0.05 -1.95 -3.43 116.97 121.38 5rsa h TYR 76 Ca -0.45 -0.05 -0.50 0.00 0.05 0.00 0.00 58.73 57.78 5rsa h TYR 76 Cb 1.21 -0.33 -0.04 0.00 1.01 0.00 0.00 36.73 38.58 5rsa h TYR 76 CO 0.61 0.78 -0.48 0.45 -1.05 0.00 0.00 178.16 178.47 5rsa s SER 77 N -6.40 5.43 0.47 3.88 0.15 -1.26 -5.08 113.70 110.89 5rsa s SER 77 Ca -0.11 -0.37 -0.19 0.00 0.70 0.00 0.00 55.95 55.98 5rsa s SER 77 Cb 0.16 -1.19 -0.09 0.00 -1.71 0.00 0.00 66.02 63.19 5rsa s SER 77 CO 0.81 -0.21 0.98 0.42 1.20 0.00 0.00 173.24 176.44 5rsa s THR 78 N -2.22 4.35 0.08 6.45 -4.23 -1.26 -4.49 115.64 114.31 5rsa s THR 78 Ca 0.37 1.34 0.03 0.00 -1.18 0.00 0.00 61.69 62.25 5rsa s THR 78 Cb -0.07 -3.61 -0.03 0.00 1.34 0.00 0.00 72.50 70.13 5rsa s THR 78 CO 0.26 -0.44 -0.09 -0.04 -0.54 0.00 0.00 174.62 173.77 5rsa s MET 79 N -3.51 0.75 -0.27 3.99 -1.94 0.29 -4.85 119.30 113.76 5rsa s MET 79 Ca 0.62 -1.07 -0.29 0.00 -1.71 0.00 0.00 55.69 53.24 5rsa s MET 79 Cb -0.10 -0.42 0.01 0.00 2.01 0.00 0.00 34.83 36.32 5rsa s MET 79 CO 0.21 0.06 1.17 0.45 -0.01 0.00 0.00 175.02 176.90 5rsa s SER 80 N -2.27 6.88 0.09 3.03 0.15 -1.26 -1.47 113.70 118.85 5rsa s SER 80 Ca 0.02 1.27 0.03 0.00 0.70 0.00 0.00 55.95 57.97 5rsa s SER 80 Cb -0.04 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 5rsa s SER 80 CO -0.01 -0.88 -0.09 0.27 1.20 0.00 0.00 173.24 173.72 5rsa s ILE 81 N 3.77 0.85 -0.13 6.45 -4.36 0.05 -1.50 121.20 126.33 5rsa s ILE 81 Ca 0.50 -1.57 0.01 0.00 -0.26 0.00 0.00 60.65 59.33 5rsa s ILE 81 Cb -0.16 -1.26 0.02 0.00 1.25 0.00 0.00 42.46 42.31 5rsa s ILE 81 CO 0.16 -0.55 -0.15 -0.89 0.24 0.00 0.00 174.94 173.75 5rsa s THR 82 N -2.35 1.54 -0.17 8.37 2.01 -0.43 -0.18 115.64 124.43 5rsa s THR 82 Ca 0.03 -0.64 -0.11 0.00 0.31 0.00 0.00 61.69 61.29 5rsa s THR 82 Cb -0.03 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 70.99 5rsa s THR 82 CO -0.00 0.45 0.18 -0.62 -0.69 0.00 0.00 174.62 173.94 5rsa s ASP 83 N 1.30 6.32 -0.18 3.53 2.15 0.13 -1.14 116.67 128.78 5rsa s ASP 83 Ca 0.01 0.37 0.01 0.00 0.43 0.00 0.00 52.55 53.37 5rsa s ASP 83 Cb -0.14 -2.11 0.02 0.00 -0.30 0.00 0.00 42.92 40.39 5rsa s ASP 83 CO -0.07 0.21 -0.18 0.00 -0.17 0.00 0.00 175.17 174.96 5rsa s ARG 85 N 1.31 1.76 0.33 0.00 6.06 -0.69 -1.62 118.95 126.10 5rsa s ARG 85 Ca 0.04 -0.53 -0.29 0.00 -2.50 0.00 0.00 55.73 52.45 5rsa s ARG 85 Cb -0.14 -1.49 -0.12 0.00 0.06 0.00 0.00 34.95 33.27 5rsa s ARG 85 CO -0.12 0.16 1.43 -1.91 -2.50 0.00 0.00 175.30 172.36 5rsa n GLU 86 N 3.40 2.42 -2.82 5.12 2.13 -0.30 0.21 120.64 130.80 5rsa n GLU 86 Ca -0.20 0.85 -0.26 0.00 0.66 0.00 0.00 57.16 58.22 5rsa n GLU 86 Cb 0.53 -2.54 0.00 0.00 0.27 0.00 0.00 31.44 29.70 5rsa n GLU 86 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 5rsa s THR 87 N -0.78 4.65 -0.19 6.31 2.01 -0.72 -4.78 115.64 122.16 5rsa s THR 87 Ca 0.58 -0.08 0.28 0.00 0.31 0.00 0.00 61.69 62.78 5rsa s THR 87 Cb -0.53 -3.75 0.30 0.00 0.01 0.00 0.00 72.50 68.52 5rsa s THR 87 CO 0.59 -0.66 1.83 1.23 -0.69 0.00 0.00 174.62 176.92 5rsa h GLY 88 N 0.31 0.00 -1.02 4.40 0.00 -1.95 -1.70 103.07 103.11 5rsa h GLY 88 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 5rsa h GLY 88 CO 0.61 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.59 5rsa n SER 89 N -2.53 1.99 -4.69 0.19 7.64 -1.26 -4.92 113.62 110.03 5rsa n SER 89 Ca 0.01 -1.71 -0.42 0.00 1.01 0.00 0.00 58.87 57.76 5rsa n SER 89 Cb 0.20 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.30 5rsa n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 5rsa s SER 90 N -1.75 6.75 -0.25 6.43 0.15 -0.64 -4.80 113.70 119.59 5rsa s SER 90 Ca 0.34 2.28 -0.03 0.00 0.70 0.00 0.00 55.95 59.25 5rsa s SER 90 Cb 0.20 -2.57 0.11 0.00 -1.71 0.00 0.00 66.02 62.05 5rsa s SER 90 CO 0.30 -0.77 0.23 -0.75 1.20 0.00 0.00 173.24 173.44 5rsa s LYS 91 N 2.31 0.24 0.11 5.44 2.47 -0.06 -4.89 119.74 125.36 5rsa s LYS 91 Ca 0.68 -0.07 -0.36 0.00 -1.56 0.00 0.00 55.97 54.66 5rsa s LYS 91 Cb -0.35 -1.00 -0.16 0.00 -1.46 0.00 0.00 37.83 34.86 5rsa s LYS 91 CO 0.29 -0.87 1.35 0.98 0.16 0.00 0.00 175.35 177.26 5rsa n TYR 92 N 5.30 1.58 1.71 4.03 9.36 -1.26 0.63 117.16 138.52 5rsa n TYR 92 Ca -0.04 0.60 0.13 0.00 3.32 0.00 0.00 57.90 61.90 5rsa n TYR 92 Cb 0.47 -2.35 0.63 0.00 -0.63 0.00 0.00 39.34 37.46 5rsa n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 5rsa n PRO 93 N 2.54 1.32 -2.67 2.98 -0.04 -1.26 -4.98 135.00 132.89 5rsa n PRO 93 Ca 0.18 -0.47 -0.43 0.00 -0.04 0.00 0.00 63.50 62.73 5rsa n PRO 93 Cb 0.21 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 5rsa n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 5rsa n ASN 94 N -0.38 5.15 -4.75 3.54 3.02 0.20 -4.97 115.26 117.08 5rsa n ASN 94 Ca 0.19 -3.03 -0.41 0.00 -0.03 0.00 0.00 54.58 51.30 5rsa n ASN 94 Cb 0.21 -1.54 -0.04 0.00 -0.61 0.00 0.00 39.78 37.80 5rsa n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 5rsa s ALA 96 N -0.67 0.81 0.03 0.00 0.00 -1.26 -4.90 121.76 115.77 5rsa s ALA 96 Ca 0.46 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.14 5rsa s ALA 96 Cb -0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 5rsa s ALA 96 CO 0.36 0.14 -0.09 0.71 0.00 0.00 0.00 175.76 176.88 5rsa s TYR 97 N 0.15 0.79 -0.06 0.00 2.02 -1.26 -1.75 117.35 117.24 5rsa s TYR 97 Ca -0.02 -0.36 -0.18 0.00 -0.37 0.00 0.00 57.07 56.13 5rsa s TYR 97 Cb -0.08 -0.47 -0.05 0.00 -0.40 0.00 0.00 41.96 40.96 5rsa s TYR 97 CO 0.00 -0.03 0.50 0.21 -1.57 0.00 0.00 175.55 174.67 5rsa s LYS 98 N -1.13 4.26 -0.25 -0.62 2.47 0.13 -4.59 119.74 120.01 5rsa s LYS 98 Ca -0.04 0.53 -0.12 0.00 -1.56 0.00 0.00 55.97 54.78 5rsa s LYS 98 Cb -0.08 -3.37 -0.05 0.00 -1.46 0.00 0.00 37.83 32.88 5rsa s LYS 98 CO 0.01 0.32 0.23 0.99 0.16 0.00 0.00 175.35 177.05 5rsa s THR 99 N 0.07 5.29 -0.13 3.43 2.01 -1.26 -1.70 115.64 123.35 5rsa s THR 99 Ca 0.27 0.30 0.02 0.00 0.31 0.00 0.00 61.69 62.59 5rsa s THR 99 Cb -0.16 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.78 5rsa s THR 99 CO 0.13 0.27 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.25 5rsa s THR 100 N 1.51 2.39 -0.18 -0.82 2.01 0.68 -4.98 115.64 116.25 5rsa s THR 100 Ca 0.10 -0.88 -0.10 0.00 0.31 0.00 0.00 61.69 61.12 5rsa s THR 100 Cb -0.15 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 5rsa s THR 100 CO 0.08 0.54 0.15 -1.58 -0.69 0.00 0.00 174.62 173.12 5rsa s GLN 101 N 0.63 4.04 0.26 4.92 2.00 -1.26 0.20 119.66 130.44 5rsa s GLN 101 Ca -0.10 -0.17 -0.15 0.00 -2.00 0.00 0.00 55.36 52.93 5rsa s GLN 101 Cb -0.16 -3.37 0.00 0.00 0.80 0.00 0.00 33.01 30.28 5rsa s GLN 101 CO 0.03 0.39 0.54 0.00 -0.50 0.00 0.00 175.29 175.75 5rsa s ALA 102 N 0.08 -0.52 -0.24 1.58 0.00 0.75 -4.99 121.76 118.43 5rsa s ALA 102 Ca 0.10 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.37 5rsa s ALA 102 Cb -0.11 1.01 0.05 0.00 0.00 0.00 0.00 23.12 24.07 5rsa s ALA 102 CO -0.00 -0.90 -0.11 -0.80 0.00 0.00 0.00 175.76 173.94 5rsa s ASN 103 N -2.99 4.10 0.31 0.00 -0.87 -1.26 -0.77 114.94 113.46 5rsa s ASN 103 Ca 0.19 -1.23 -0.03 0.00 -1.57 0.00 0.00 52.86 50.23 5rsa s ASN 103 Cb -0.02 -1.45 -0.01 0.00 -0.02 0.00 0.00 41.25 39.75 5rsa s ASN 103 CO 0.08 -0.17 0.42 -0.54 -2.57 0.00 0.00 177.10 174.32 5rsa s LYS 104 N 1.20 1.77 0.21 -0.60 -0.14 -0.54 -4.78 119.74 116.86 5rsa s LYS 104 Ca -0.06 -1.71 -0.19 0.00 -1.36 0.00 0.00 55.97 52.66 5rsa s LYS 104 Cb -0.19 0.41 -0.08 0.00 -1.68 0.00 0.00 37.83 36.30 5rsa s LYS 104 CO -0.06 -0.71 0.70 -1.01 -0.76 0.00 0.00 175.35 173.50 5rsa s HIS 105 N -3.35 3.63 0.19 3.18 3.76 -1.26 0.10 115.29 121.54 5rsa s HIS 105 Ca 0.32 1.33 0.07 0.00 -0.15 0.00 0.00 55.06 56.63 5rsa s HIS 105 Cb 0.01 -2.58 -0.04 0.00 1.11 0.00 0.00 32.58 31.08 5rsa s HIS 105 CO 0.19 0.34 0.01 0.96 -0.85 0.00 0.00 174.74 175.39 5rsa s ILE 106 N -1.52 3.74 -0.14 0.60 -4.36 -1.26 0.92 121.20 119.17 5rsa s ILE 106 Ca 0.42 -1.46 0.00 0.00 -0.26 0.00 0.00 60.65 59.36 5rsa s ILE 106 Cb -0.16 -2.90 0.02 0.00 1.25 0.00 0.00 42.46 40.67 5rsa s ILE 106 CO 0.21 -0.14 -0.14 -0.63 0.24 0.00 0.00 174.94 174.47 5rsa s ILE 107 N -1.80 1.55 0.18 8.37 1.01 -0.01 -0.50 121.20 129.99 5rsa s ILE 107 Ca 0.28 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.38 5rsa s ILE 107 Cb -0.09 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 5rsa s ILE 107 CO 0.19 0.45 -0.14 0.68 0.00 0.00 0.00 174.94 176.13 5rsa s VAL 108 N 1.45 1.58 -0.16 2.92 -7.23 -0.10 0.33 120.40 119.18 5rsa s VAL 108 Ca 0.04 -2.07 -0.07 0.00 -1.81 0.00 0.00 61.98 58.06 5rsa s VAL 108 Cb -0.13 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 5rsa s VAL 108 CO -0.10 -0.56 0.09 0.00 -0.31 0.00 0.00 175.10 174.21 5rsa s ALA 109 N -2.80 3.56 0.11 1.32 0.00 -0.17 -0.70 121.76 123.07 5rsa s ALA 109 Ca 0.19 -0.71 0.08 0.00 0.00 0.00 0.00 51.96 51.51 5rsa s ALA 109 Cb -0.01 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 5rsa s ALA 109 CO 0.05 0.33 -0.12 0.00 0.00 0.00 0.00 175.76 176.02 5rsa s GLU 111 N -2.19 1.24 1.08 0.00 2.02 -0.77 -4.89 118.70 115.18 5rsa s GLU 111 Ca 0.20 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.68 5rsa s GLU 111 Cb -0.11 0.57 0.00 0.00 0.10 0.00 0.00 34.13 34.69 5rsa s GLU 111 CO 0.13 -0.53 0.00 0.41 0.02 0.00 0.00 175.26 175.29 5rsa n GLY 112 N -0.34 -1.89 2.89 -1.39 0.00 -1.26 -2.48 105.19 100.72 5rsa n GLY 112 Ca -0.17 -1.51 -0.15 0.00 0.00 0.00 0.00 46.02 44.19 5rsa n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 5rsa s ASN 113 N -4.00 0.76 0.71 1.61 3.84 -1.26 -2.66 114.94 113.94 5rsa s ASN 113 Ca 0.00 0.21 -0.16 0.00 0.21 0.00 0.00 52.86 53.12 5rsa s ASN 113 Cb 0.00 0.62 0.02 0.00 -0.55 0.00 0.00 41.25 41.34 5rsa s ASN 113 CO 0.00 -0.28 1.24 -2.16 -2.79 0.00 0.00 177.10 173.10 5rsa s PRO 114 N 2.40 2.24 -0.64 0.43 0.04 -1.26 -5.07 135.00 133.13 5rsa s PRO 114 Ca 0.05 1.87 -0.28 0.00 0.04 0.00 0.00 61.00 62.68 5rsa s PRO 114 Cb -0.14 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.59 5rsa s PRO 114 CO -0.11 -1.78 1.32 -0.47 0.04 0.00 0.00 177.00 176.00 5rsa s TYR 115 N -1.79 2.35 0.26 0.56 5.04 -1.09 -4.90 117.35 117.78 5rsa s TYR 115 Ca 0.77 0.26 0.03 0.00 -2.44 0.00 0.00 57.07 55.69 5rsa s TYR 115 Cb -0.32 -4.51 -0.05 0.00 0.35 0.00 0.00 41.96 37.42 5rsa s TYR 115 CO 0.43 -1.92 0.03 0.14 -1.34 0.00 0.00 175.55 172.90 5rsa s VAL 116 N 5.76 0.97 0.29 3.14 -7.23 -1.04 -4.86 120.40 117.43 5rsa s VAL 116 Ca 0.43 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 58.29 5rsa s VAL 116 Cb -0.09 -2.51 -0.10 0.00 0.56 0.00 0.00 36.38 34.24 5rsa s VAL 116 CO 0.21 -0.18 1.44 -2.84 -0.31 0.00 0.00 175.10 173.42 5rsa s PRO 117 N -3.91 4.24 0.00 4.82 0.02 -1.26 -1.85 135.00 137.07 5rsa s PRO 117 Ca 0.32 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.70 5rsa s PRO 117 Cb 0.07 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.52 5rsa s PRO 117 CO 0.11 -0.42 0.00 1.55 -0.33 0.00 0.00 177.00 177.91 5rsa n VAL 118 N 1.79 0.00 -3.80 3.83 3.14 0.24 -4.49 118.33 119.04 5rsa n VAL 118 Ca 0.05 -0.10 -0.13 0.00 -2.96 0.00 0.00 64.34 61.21 5rsa n VAL 118 Cb 0.40 0.54 -0.11 0.00 -1.06 0.00 0.00 33.84 33.61 5rsa n VAL 118 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 5rsa s HIS 119 N -0.83 -0.21 -0.37 1.45 5.65 -1.12 -4.63 115.29 115.24 5rsa s HIS 119 Ca 0.00 0.47 -0.18 0.00 0.25 0.00 0.00 55.06 55.61 5rsa s HIS 119 Cb 0.00 0.07 0.00 0.00 -1.18 0.00 0.00 32.58 31.47 5rsa s HIS 119 CO 0.00 -0.20 0.48 0.12 -0.65 0.00 0.00 174.74 174.50 5rsa s PHE 120 N -0.34 3.17 -0.23 3.88 2.19 -1.26 -1.00 117.98 124.39 5rsa s PHE 120 Ca -0.04 0.05 -0.19 0.00 0.33 0.00 0.00 56.93 57.07 5rsa s PHE 120 Cb -0.03 -2.91 -0.17 0.00 -1.31 0.00 0.00 43.02 38.60 5rsa s PHE 120 CO 0.01 -0.57 0.03 -3.47 1.83 0.00 0.00 175.22 173.05 5rsa n ASP 121 N 5.70 1.89 -3.60 6.13 2.03 0.15 -4.97 116.55 123.88 5rsa n ASP 121 Ca -0.06 0.40 -0.04 0.00 0.52 0.00 0.00 54.79 55.61 5rsa n ASP 121 Cb 0.49 -0.92 -0.02 0.00 -0.72 0.00 0.00 41.12 39.95 5rsa n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 5rsa s ALA 122 N -2.41 -1.97 -0.03 -1.67 0.00 -1.08 -4.95 121.76 109.65 5rsa s ALA 122 Ca -0.32 1.03 0.07 0.00 0.00 0.00 0.00 51.96 52.74 5rsa s ALA 122 Cb 0.09 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 5rsa s ALA 122 CO 0.56 -0.78 -0.25 -1.54 0.00 0.00 0.00 175.76 173.74 5rsa s SER 123 N -2.54 2.98 0.00 0.00 1.04 -1.26 -0.83 113.70 113.09 5rsa s SER 123 Ca 0.09 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.05 5rsa s SER 123 Cb 0.00 -0.47 0.00 0.00 0.10 0.00 0.00 66.02 65.65 5rsa s SER 123 CO -0.05 0.29 0.00 0.55 0.98 0.00 0.00 173.24 175.01