#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fic n LEU 2 N 0.00 -4.86 -0.07 3.17 4.77 -1.26 -4.99 117.00 113.76 3fic n LEU 2 Ca 0.00 1.67 -0.12 0.00 -0.03 0.00 0.00 56.01 57.53 3fic n LEU 2 Cb 0.00 -2.52 -0.10 0.00 -2.33 0.00 0.00 43.42 38.48 3fic n LEU 2 CO 0.00 -2.46 0.15 0.71 -1.33 0.00 0.00 177.39 174.46 3fic h THR 3 N 2.76 1.23 -3.53 -5.08 1.35 -2.06 -3.42 112.91 104.16 3fic h THR 3 Ca -0.26 -1.99 -0.68 0.00 -0.55 0.00 0.00 66.41 62.93 3fic h THR 3 Cb 0.58 2.39 -0.37 0.00 -1.73 0.00 0.00 68.15 69.02 3fic h THR 3 CO 0.00 0.42 -0.55 -0.62 -0.25 0.00 0.00 175.52 174.52 3fic s ASP 4 N -6.15 5.00 0.27 5.36 2.15 -1.26 -4.98 116.67 117.07 3fic s ASP 4 Ca -0.16 -2.41 0.00 0.00 0.43 0.00 0.00 52.55 50.41 3fic s ASP 4 Cb -0.01 -1.76 0.54 0.00 -0.30 0.00 0.00 42.92 41.39 3fic s ASP 4 CO 0.51 -0.42 1.81 -0.65 -0.17 0.00 0.00 175.17 176.26 3fic h PRO 5 N 7.47 0.84 0.69 4.34 0.11 -1.97 -2.85 132.00 140.63 3fic h PRO 5 Ca -0.08 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.95 3fic h PRO 5 Cb 0.99 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.92 3fic h PRO 5 CO 0.66 0.55 -0.33 0.82 -0.21 0.00 0.00 178.00 179.49 3fic h ILE 6 N 0.86 0.31 -1.11 4.15 5.03 -2.00 -1.40 117.51 123.35 3fic h ILE 6 Ca 0.48 -0.03 0.31 0.00 -0.12 0.00 0.00 64.86 65.51 3fic h ILE 6 Cb 0.55 0.32 -0.06 0.00 -3.03 0.00 0.00 36.82 34.59 3fic h ILE 6 CO -0.29 0.00 0.77 0.00 -0.68 0.00 0.00 178.15 177.95 3fic h ALA 7 N -0.64 2.79 0.75 1.87 0.00 -1.92 0.47 119.26 122.57 3fic h ALA 7 Ca -0.10 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3fic h ALA 7 Cb 0.72 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.59 3fic h ALA 7 CO 0.16 -1.15 -0.36 0.22 0.00 0.00 0.00 179.25 178.12 3fic h ASP 8 N 0.13 -0.85 -0.96 0.00 3.58 -1.14 -1.38 116.42 115.79 3fic h ASP 8 Ca 0.56 0.02 0.23 0.00 0.42 0.00 0.00 57.03 58.27 3fic h ASP 8 Cb 1.96 0.22 -0.18 0.00 1.72 0.00 0.00 39.33 43.05 3fic h ASP 8 CO -0.11 -0.48 -0.08 -0.03 -2.88 0.00 0.00 179.24 175.66 3fic h MET 9 N -1.25 0.01 0.29 0.28 4.05 0.12 1.18 114.93 119.63 3fic h MET 9 Ca -0.10 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.30 3fic h MET 9 Cb 0.78 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.58 3fic h MET 9 CO 0.17 0.01 -0.14 -0.07 0.23 0.00 0.00 176.91 177.11 3fic h LEU 10 N 0.01 -0.33 -0.43 3.39 3.38 -1.34 -0.72 115.31 119.27 3fic h LEU 10 Ca 0.53 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.54 3fic h LEU 10 Cb 0.99 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 3fic h LEU 10 CO -0.93 -0.20 0.13 0.74 0.09 0.00 0.00 178.44 178.27 3fic h THR 11 N -0.43 0.84 -0.78 0.22 2.02 0.22 2.01 112.91 117.00 3fic h THR 11 Ca -0.04 -0.10 0.13 0.00 0.77 0.00 0.00 66.41 67.17 3fic h THR 11 Cb 0.33 0.53 -0.09 0.00 -1.74 0.00 0.00 68.15 67.18 3fic h THR 11 CO 0.07 0.05 0.37 0.03 0.37 0.00 0.00 175.52 176.40 3fic h ARG 12 N 0.29 0.54 0.10 6.66 3.08 0.84 0.35 114.38 126.24 3fic h ARG 12 Ca 0.20 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 3fic h ARG 12 Cb 0.21 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3fic h ARG 12 CO -0.22 0.36 -0.05 0.82 -1.07 0.00 0.00 179.97 179.81 3fic h ILE 13 N 0.56 1.10 0.00 2.04 2.04 0.56 -0.99 117.51 122.81 3fic h ILE 13 Ca 0.41 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3fic h ILE 13 Cb 0.56 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 3fic h ILE 13 CO -0.35 0.20 0.11 -0.09 0.00 0.00 0.00 178.15 178.02 3fic h ARG 14 N -0.51 0.00 0.00 2.37 2.43 0.46 -1.15 114.38 117.98 3fic h ARG 14 Ca -0.01 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.89 3fic h ARG 14 Cb 0.42 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 3fic h ARG 14 CO 0.02 0.00 -1.57 0.09 -1.51 0.00 0.00 179.97 177.00 3fic n ASN 15 N -3.01 1.89 -0.33 -3.80 3.02 0.11 -3.42 115.26 109.72 3fic n ASN 15 Ca -0.03 0.41 0.12 0.00 -0.03 0.00 0.00 54.58 55.06 3fic n ASN 15 Cb 0.18 -0.89 0.31 0.00 -0.61 0.00 0.00 39.78 38.76 3fic n ASN 15 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fic h ALA 16 N -0.75 1.57 0.15 5.41 0.00 -0.93 -1.24 119.26 123.47 3fic h ALA 16 Ca -0.40 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3fic h ALA 16 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3fic h ALA 16 CO -0.24 -0.13 -0.07 1.79 0.00 0.00 0.00 179.25 180.60 3fic h THR 17 N 0.66 0.97 0.00 0.00 1.35 -1.40 -2.31 112.91 112.17 3fic h THR 17 Ca 0.56 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 3fic h THR 17 Cb 0.91 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3fic h THR 17 CO -0.41 0.12 0.20 0.54 -0.25 0.00 0.00 175.52 175.72 3fic n ARG 18 N -5.07 0.00 0.00 4.72 3.00 -0.48 -0.03 116.66 118.80 3fic n ARG 18 Ca -0.09 0.25 0.00 0.00 -0.01 0.00 0.00 57.85 58.00 3fic n ARG 18 Cb 0.19 -1.70 0.00 0.00 0.00 0.00 0.00 32.46 30.95 3fic n ARG 18 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3fic n VAL 19 N -1.22 0.00 -2.06 1.55 0.24 -1.09 -5.07 118.33 110.67 3fic n VAL 19 Ca 0.00 -0.48 -0.01 0.00 -2.04 0.00 0.00 64.34 61.81 3fic n VAL 19 Cb 0.20 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.58 3fic n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3fic n TYR 20 N -0.89 -1.76 -4.34 6.34 4.01 0.95 -5.08 117.16 116.39 3fic n TYR 20 Ca 0.00 0.76 -0.23 0.00 -0.16 0.00 0.00 57.90 58.27 3fic n TYR 20 Cb 0.00 -2.65 -0.12 0.00 -0.31 0.00 0.00 39.34 36.27 3fic n TYR 20 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3fic s LYS 21 N -0.97 1.29 0.00 -0.72 2.20 -1.15 -5.03 119.74 115.37 3fic s LYS 21 Ca 0.03 -1.38 0.00 0.00 -0.36 0.00 0.00 55.97 54.26 3fic s LYS 21 Cb -0.01 -1.46 0.00 0.00 -1.51 0.00 0.00 37.83 34.86 3fic s LYS 21 CO 0.35 0.31 0.93 -1.91 -0.36 0.00 0.00 175.35 174.67 3fic n GLU 22 N 0.46 0.00 -4.15 4.03 4.07 -1.26 -4.47 120.64 119.32 3fic n GLU 22 Ca -0.14 0.48 -0.10 0.00 -0.06 0.00 0.00 57.16 57.34 3fic n GLU 22 Cb 0.56 -1.45 -0.10 0.00 -0.06 0.00 0.00 31.44 30.39 3fic n GLU 22 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 3fic s SER 23 N -2.05 0.55 0.07 4.31 1.04 -1.26 -1.45 113.70 114.92 3fic s SER 23 Ca 0.00 -1.13 0.05 0.00 0.48 0.00 0.00 55.95 55.35 3fic s SER 23 Cb 0.00 0.23 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 3fic s SER 23 CO 0.00 -0.65 -0.13 -0.89 0.98 0.00 0.00 173.24 172.55 3fic s THR 24 N -3.92 1.05 -0.42 2.02 2.01 -0.80 -4.89 115.64 110.69 3fic s THR 24 Ca 0.18 -1.33 -0.01 0.00 0.31 0.00 0.00 61.69 60.84 3fic s THR 24 Cb 0.07 -1.07 0.11 0.00 0.01 0.00 0.00 72.50 71.62 3fic s THR 24 CO -0.02 -0.28 0.20 -1.81 -0.69 0.00 0.00 174.62 172.03 3fic s ASP 25 N -1.82 5.14 -0.00 3.53 1.11 -1.26 0.14 116.67 123.51 3fic s ASP 25 Ca -0.02 -2.17 -0.17 0.00 0.18 0.00 0.00 52.55 50.37 3fic s ASP 25 Cb -0.09 -1.79 -0.06 0.00 1.07 0.00 0.00 42.92 42.05 3fic s ASP 25 CO 0.02 -0.49 0.49 0.54 1.18 0.00 0.00 175.17 176.91 3fic s VAL 26 N 0.93 4.96 0.24 -1.27 0.11 -0.88 -4.68 120.40 119.80 3fic s VAL 26 Ca 0.10 1.02 -0.30 0.00 -2.93 0.00 0.00 61.98 59.86 3fic s VAL 26 Cb -0.22 -3.81 -0.14 0.00 -1.53 0.00 0.00 36.38 30.68 3fic s VAL 26 CO -0.05 0.50 1.19 -2.65 -3.33 0.00 0.00 175.10 170.77 3fic n PRO 27 N 2.25 1.55 -1.55 1.54 -0.02 -1.26 0.12 135.00 137.64 3fic n PRO 27 Ca -0.11 0.55 -0.50 0.00 -2.02 0.00 0.00 63.50 61.42 3fic n PRO 27 Cb 0.52 -2.06 -0.05 0.00 -0.02 0.00 0.00 33.50 31.89 3fic n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fic n ALA 28 N 1.10 -1.48 -3.15 3.55 0.00 0.14 -4.76 120.51 115.91 3fic n ALA 28 Ca 0.11 0.48 0.05 0.00 0.00 0.00 0.00 53.44 54.09 3fic n ALA 28 Cb 0.30 -1.94 -0.01 0.00 0.00 0.00 0.00 19.45 17.80 3fic n ALA 28 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3fic s SER 29 N -0.11 -0.63 0.12 0.00 0.15 -1.26 -5.02 113.70 106.96 3fic s SER 29 Ca 0.75 0.26 -0.24 0.00 0.70 0.00 0.00 55.95 57.43 3fic s SER 29 Cb -0.93 1.48 -0.05 0.00 -1.71 0.00 0.00 66.02 64.80 3fic s SER 29 CO 0.53 -0.12 1.40 -1.14 1.20 0.00 0.00 173.24 175.11 3fic n ARG 30 N 5.36 -0.34 -0.02 5.44 0.63 -1.26 0.17 116.66 126.64 3fic n ARG 30 Ca -0.01 1.37 0.21 0.00 -0.92 0.00 0.00 57.85 58.51 3fic n ARG 30 Cb 0.55 -2.03 0.70 0.00 0.45 0.00 0.00 32.46 32.13 3fic n ARG 30 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 3fic h PHE 31 N 0.00 0.00 0.35 -0.14 3.57 -2.00 -1.62 116.94 117.10 3fic h PHE 31 Ca 0.12 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 3fic h PHE 31 Cb 0.31 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.06 3fic h PHE 31 CO -0.99 0.00 -0.17 0.87 -2.23 0.00 0.00 178.31 175.79 3fic h LYS 32 N 0.00 -0.46 -1.13 1.11 1.57 0.13 -2.96 116.57 114.83 3fic h LYS 32 Ca 0.27 0.03 0.34 0.00 -1.87 0.00 0.00 60.65 59.42 3fic h LYS 32 Cb 1.11 0.10 -0.12 0.00 0.08 0.00 0.00 32.23 33.41 3fic h LYS 32 CO -0.00 -0.13 0.71 0.93 -0.57 0.00 0.00 179.45 180.38 3fic h GLU 33 N -0.89 0.27 0.15 3.15 5.08 -0.09 0.19 114.58 122.45 3fic h GLU 33 Ca -0.05 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3fic h GLU 33 Cb 0.53 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 3fic h GLU 33 CO 0.08 0.18 -0.50 0.93 -1.00 0.00 0.00 179.01 178.69 3fic h GLU 34 N 0.28 -0.72 -0.25 2.33 4.39 -1.28 1.93 114.58 121.27 3fic h GLU 34 Ca 0.70 0.05 0.07 0.00 0.34 0.00 0.00 59.36 60.52 3fic h GLU 34 Cb 1.91 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 30.71 3fic h GLU 34 CO -0.40 -0.48 0.32 0.82 -1.16 0.00 0.00 179.01 178.11 3fic h ILE 35 N -0.74 0.34 0.08 3.13 2.04 -0.63 0.37 117.51 122.10 3fic h ILE 35 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 3fic h ILE 35 Cb 0.74 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 3fic h ILE 35 CO -0.26 0.00 -0.04 -0.07 0.00 0.00 0.00 178.15 177.78 3fic h LEU 36 N 0.00 -0.10 -0.71 1.44 3.38 0.83 -0.50 115.31 119.65 3fic h LEU 36 Ca 0.12 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.15 3fic h LEU 36 Cb 0.76 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.45 3fic h LEU 36 CO -0.00 0.10 -0.42 -1.14 0.09 0.00 0.00 178.44 177.08 3fic n ARG 37 N -3.26 -0.31 -0.29 1.13 0.63 0.61 0.21 116.66 115.37 3fic n ARG 37 Ca -0.01 1.17 0.05 0.00 -0.92 0.00 0.00 57.85 58.14 3fic n ARG 37 Cb 0.04 -1.72 0.20 0.00 0.45 0.00 0.00 32.46 31.43 3fic n ARG 37 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3fic h ILE 38 N 0.00 0.80 -0.61 5.15 2.04 -1.07 1.13 117.51 124.95 3fic h ILE 38 Ca 0.11 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.81 3fic h ILE 38 Cb 0.29 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.39 3fic h ILE 38 CO -0.66 0.12 0.40 0.25 0.00 0.00 0.00 178.15 178.26 3fic h LEU 39 N 0.68 0.47 0.05 1.44 5.85 0.42 -2.33 115.31 121.90 3fic h LEU 39 Ca 0.43 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.84 3fic h LEU 39 Cb 0.54 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3fic h LEU 39 CO -0.32 0.30 -1.74 0.00 -0.34 0.00 0.00 178.44 176.34 3fic n ALA 40 N -2.49 0.89 0.09 1.25 0.00 0.55 -1.38 120.51 119.41 3fic n ALA 40 Ca 0.09 -0.61 0.03 0.00 0.00 0.00 0.00 53.44 52.95 3fic n ALA 40 Cb 0.28 -0.53 0.18 0.00 0.00 0.00 0.00 19.45 19.38 3fic n ALA 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3fic n ARG 41 N -3.96 0.05 -0.06 0.00 0.63 0.36 0.35 116.66 114.03 3fic n ARG 41 Ca -0.35 0.43 0.04 0.00 -0.92 0.00 0.00 57.85 57.06 3fic n ARG 41 Cb 0.87 -1.92 0.07 0.00 0.45 0.00 0.00 32.46 31.93 3fic n ARG 41 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3fic n GLU 42 N -1.68 1.47 -2.85 -0.14 -0.58 -0.89 -5.03 120.64 110.94 3fic n GLU 42 Ca -0.00 -1.44 -0.10 0.00 -0.42 0.00 0.00 57.16 55.20 3fic n GLU 42 Cb 0.28 -1.18 0.05 0.00 -0.57 0.00 0.00 31.44 30.03 3fic n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fic n GLY 43 N 0.38 -0.03 0.00 0.62 0.00 1.10 -4.98 105.19 102.29 3fic n GLY 43 Ca 0.07 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.02 3fic n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fic n PHE 44 N -2.87 0.00 -3.89 1.61 3.72 -0.48 -5.00 117.46 110.54 3fic n PHE 44 Ca -0.17 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.12 3fic n PHE 44 Cb 0.60 -0.24 -0.10 0.00 -0.94 0.00 0.00 39.48 38.80 3fic n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3fic s ILE 45 N -2.80 0.09 0.25 4.37 -4.36 -1.26 -4.20 121.20 113.29 3fic s ILE 45 Ca -0.03 -0.73 -0.03 0.00 -0.26 0.00 0.00 60.65 59.61 3fic s ILE 45 Cb 0.09 -0.40 0.23 0.00 1.25 0.00 0.00 42.46 43.63 3fic s ILE 45 CO 0.57 -0.40 1.76 0.11 0.24 0.00 0.00 174.94 177.22 3fic h LYS 46 N 4.36 0.56 0.00 0.37 1.57 -1.57 -3.45 116.57 118.42 3fic h LYS 46 Ca -0.31 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3fic h LYS 46 Cb 1.20 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.38 3fic h LYS 46 CO 0.41 0.37 0.00 0.41 -0.57 0.00 0.00 179.45 180.07 3fic n GLY 47 N -1.32 -0.04 3.58 3.86 0.00 -1.20 -5.00 105.19 105.07 3fic n GLY 47 Ca 0.15 -1.36 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 3fic n GLY 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3fic n TYR 48 N 9.00 -1.94 -3.62 1.61 0.18 -1.26 0.83 117.16 121.95 3fic n TYR 48 Ca 0.00 -2.09 -0.06 0.00 1.88 0.00 0.00 57.90 57.62 3fic n TYR 48 Cb 0.00 0.75 -0.06 0.00 -0.38 0.00 0.00 39.34 39.66 3fic n TYR 48 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 3fic s GLU 49 N -2.42 0.32 0.50 -3.48 -1.05 -0.26 -4.97 118.70 107.35 3fic s GLU 49 Ca 0.22 0.18 -0.21 0.00 -0.15 0.00 0.00 54.97 55.01 3fic s GLU 49 Cb -0.03 0.15 -0.07 0.00 -0.44 0.00 0.00 34.13 33.75 3fic s GLU 49 CO 0.16 -0.08 1.15 1.03 0.95 0.00 0.00 175.26 178.48 3fic s ARG 50 N -0.61 3.54 0.00 -4.83 0.52 -1.26 -0.17 118.95 116.14 3fic s ARG 50 Ca 0.04 1.71 0.00 0.00 -0.52 0.00 0.00 55.73 56.96 3fic s ARG 50 Cb -0.02 -2.21 0.00 0.00 0.52 0.00 0.00 34.95 33.24 3fic s ARG 50 CO -0.06 -0.72 0.00 1.33 0.02 0.00 0.00 175.30 175.87 3fic n VAL 51 N -0.90 0.00 -3.21 3.52 0.24 -0.97 -4.84 118.33 112.17 3fic n VAL 51 Ca 0.09 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.44 3fic n VAL 51 Cb 0.49 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.84 3fic n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3fic s ASP 52 N 1.09 -0.79 -1.20 -1.34 2.15 -1.26 -3.42 116.67 111.89 3fic s ASP 52 Ca 0.00 0.60 -0.08 0.00 0.43 0.00 0.00 52.55 53.50 3fic s ASP 52 Cb 0.00 1.71 0.22 0.00 -0.30 0.00 0.00 42.92 44.55 3fic s ASP 52 CO 0.00 -0.15 1.63 0.52 -0.17 0.00 0.00 175.17 177.00 3fic n VAL 53 N 5.38 4.64 -2.46 1.11 0.31 0.24 -4.62 118.33 122.93 3fic n VAL 53 Ca -0.06 -4.98 -0.02 0.00 -0.01 0.00 0.00 64.34 59.27 3fic n VAL 53 Cb 0.52 -2.31 0.00 0.00 -0.91 0.00 0.00 33.84 31.15 3fic n VAL 53 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3fic n ASP 54 N 3.29 -5.84 0.00 4.52 8.00 -1.26 -3.23 116.55 122.03 3fic n ASP 54 Ca 0.34 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.97 3fic n ASP 54 Cb 0.37 -3.85 0.00 0.00 -0.02 0.00 0.00 41.12 37.62 3fic n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fic n GLY 55 N -1.01 0.28 3.23 0.44 0.00 -1.26 -4.91 105.19 101.97 3fic n GLY 55 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3fic n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fic s LYS 56 N -0.78 2.96 -0.26 1.61 1.02 -1.20 -5.06 119.74 118.04 3fic s LYS 56 Ca 0.00 -2.26 -0.29 0.00 0.02 0.00 0.00 55.97 53.44 3fic s LYS 56 Cb 0.00 -4.08 -0.01 0.00 -0.52 0.00 0.00 37.83 33.22 3fic s LYS 56 CO 0.00 -1.23 1.45 -1.25 -0.92 0.00 0.00 175.35 173.40 3fic s PRO 57 N 0.49 3.86 0.00 -1.68 0.04 -1.26 0.79 135.00 137.23 3fic s PRO 57 Ca 0.14 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.63 3fic s PRO 57 Cb -0.19 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.40 3fic s PRO 57 CO -0.04 -1.20 0.00 0.66 0.04 0.00 0.00 177.00 176.46 3fic n TYR 58 N 8.00 -0.91 -3.61 0.56 4.02 -1.22 -0.68 117.16 123.31 3fic n TYR 58 Ca 0.17 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.79 3fic n TYR 58 Cb 0.46 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.61 3fic n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3fic s LEU 59 N 0.00 0.48 0.15 7.72 1.43 0.12 -2.29 118.68 126.29 3fic s LEU 59 Ca 0.00 -0.74 -0.31 0.00 -1.03 0.00 0.00 54.13 52.04 3fic s LEU 59 Cb 0.00 -0.30 -0.10 0.00 0.03 0.00 0.00 46.19 45.82 3fic s LEU 59 CO 0.00 -0.36 1.57 -0.13 0.23 0.00 0.00 176.35 177.66 3fic s ARG 60 N 2.10 4.22 -0.30 1.70 1.81 0.76 -2.08 118.95 127.16 3fic s ARG 60 Ca 0.03 2.34 0.02 0.00 -1.72 0.00 0.00 55.73 56.40 3fic s ARG 60 Cb -0.16 -3.20 0.09 0.00 -0.45 0.00 0.00 34.95 31.23 3fic s ARG 60 CO -0.13 -0.61 0.03 0.08 -0.68 0.00 0.00 175.30 173.99 3fic s VAL 61 N 1.26 1.68 -0.06 3.52 1.01 0.37 -1.10 120.40 127.08 3fic s VAL 61 Ca 0.70 -1.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.62 3fic s VAL 61 Cb -0.43 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 3fic s VAL 61 CO 0.31 -0.48 1.25 -0.31 0.00 0.00 0.00 175.10 175.88 3fic s TYR 62 N 1.24 3.06 0.15 5.22 2.02 0.24 -1.91 117.35 127.38 3fic s TYR 62 Ca 0.06 1.10 -0.16 0.00 -0.37 0.00 0.00 57.07 57.69 3fic s TYR 62 Cb -0.18 -3.49 -0.07 0.00 -0.40 0.00 0.00 41.96 37.82 3fic s TYR 62 CO -0.12 -1.62 0.59 -0.51 -1.57 0.00 0.00 175.55 172.32 3fic s LEU 63 N 2.46 4.37 -0.15 -1.29 2.01 -0.53 -1.71 118.68 123.85 3fic s LEU 63 Ca 0.57 1.19 -0.02 0.00 0.01 0.00 0.00 54.13 55.88 3fic s LEU 63 Cb -0.26 -3.27 -0.02 0.00 0.01 0.00 0.00 46.19 42.65 3fic s LEU 63 CO 0.22 0.12 -0.07 -0.75 1.01 0.00 0.00 176.35 176.88 3fic s LYS 64 N -1.80 3.55 0.48 1.70 2.20 -1.26 -4.55 119.74 120.06 3fic s LYS 64 Ca 0.37 -0.58 0.02 0.00 -0.36 0.00 0.00 55.97 55.42 3fic s LYS 64 Cb -0.16 -2.82 -0.02 0.00 -1.51 0.00 0.00 37.83 33.32 3fic s LYS 64 CO 0.19 0.20 0.04 0.71 -0.36 0.00 0.00 175.35 176.14 3fic s TYR 65 N 0.43 1.84 0.00 4.03 1.51 -1.26 -3.72 117.35 120.18 3fic s TYR 65 Ca -0.06 -1.06 0.00 0.00 -1.01 0.00 0.00 57.07 54.94 3fic s TYR 65 Cb -0.15 -1.47 0.00 0.00 -0.11 0.00 0.00 41.96 40.23 3fic s TYR 65 CO 0.04 0.07 0.00 0.41 -1.11 0.00 0.00 175.55 174.95 3fic n GLY 66 N -1.16 0.71 3.83 0.71 0.00 0.68 -4.81 105.19 105.15 3fic n GLY 66 Ca -0.15 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 3fic n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fic s PRO 67 N -0.04 4.11 0.95 1.61 0.04 -1.26 -4.76 135.00 135.65 3fic s PRO 67 Ca 0.00 0.84 -0.12 0.00 0.04 0.00 0.00 61.00 61.76 3fic s PRO 67 Cb 0.00 -2.41 0.05 0.00 0.04 0.00 0.00 34.50 32.18 3fic s PRO 67 CO 0.00 0.13 0.49 -2.13 0.04 0.00 0.00 177.00 175.53 3fic n ARG 68 N -0.31 -0.33 -4.43 4.56 0.63 -1.26 -4.14 116.66 111.38 3fic n ARG 68 Ca 0.04 -0.05 -0.24 0.00 -0.92 0.00 0.00 57.85 56.68 3fic n ARG 68 Cb 0.53 -1.92 -0.09 0.00 0.45 0.00 0.00 32.46 31.43 3fic n ARG 68 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3fic s ARG 69 N -3.75 1.86 -0.08 -0.14 0.52 -1.23 -4.89 118.95 111.23 3fic s ARG 69 Ca 0.58 -1.70 -0.16 0.00 -0.52 0.00 0.00 55.73 53.93 3fic s ARG 69 Cb -0.21 -1.87 -0.05 0.00 0.52 0.00 0.00 34.95 33.34 3fic s ARG 69 CO 0.66 0.31 0.41 -0.65 0.02 0.00 0.00 175.30 176.05 3fic s GLN 70 N -3.57 4.14 0.01 3.54 -1.52 -1.26 -4.63 119.66 116.37 3fic s GLN 70 Ca 0.31 0.36 0.00 0.00 -1.95 0.00 0.00 55.36 54.08 3fic s GLN 70 Cb -0.04 -3.34 0.00 0.00 -0.22 0.00 0.00 33.01 29.41 3fic s GLN 70 CO 0.17 0.41 0.00 0.41 -0.25 0.00 0.00 175.29 176.02 3fic n GLY 71 N 2.66 -3.03 3.62 3.09 0.00 -1.26 -4.90 105.19 105.38 3fic n GLY 71 Ca -0.11 -2.08 -0.37 0.00 0.00 0.00 0.00 46.02 43.46 3fic n GLY 71 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fic n PRO 72 N -0.01 0.80 -3.47 1.61 -0.02 -1.26 -2.86 135.00 129.79 3fic n PRO 72 Ca 0.00 0.32 -0.19 0.00 -2.02 0.00 0.00 63.50 61.61 3fic n PRO 72 Cb 0.00 -2.21 0.06 0.00 -0.02 0.00 0.00 33.50 31.33 3fic n PRO 72 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3fic n ASP 73 N -1.12 -3.71 -1.35 2.55 4.64 -1.26 -4.75 116.55 111.55 3fic n ASP 73 Ca 0.14 -0.75 0.00 0.00 -1.38 0.00 0.00 54.79 52.80 3fic n ASP 73 Cb 0.48 -4.68 0.00 0.00 -1.04 0.00 0.00 41.12 35.88 3fic n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3fic n PRO 74 N -3.88 0.39 -2.86 -0.67 -0.04 -1.14 -4.76 135.00 122.05 3fic n PRO 74 Ca -0.20 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.85 3fic n PRO 74 Cb 0.65 -1.30 -0.04 0.00 -0.04 0.00 0.00 33.50 32.76 3fic n PRO 74 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3fic s ARG 75 N 0.87 4.29 0.22 0.54 0.52 -1.26 -3.57 118.95 120.56 3fic s ARG 75 Ca 0.00 1.06 -0.32 0.00 -0.52 0.00 0.00 55.73 55.95 3fic s ARG 75 Cb 0.00 -3.58 -0.13 0.00 0.52 0.00 0.00 34.95 31.76 3fic s ARG 75 CO 0.00 -0.37 1.60 -0.35 0.02 0.00 0.00 175.30 176.20 3fic n PRO 76 N 5.38 2.44 -0.63 3.54 -0.04 -1.26 -4.68 135.00 139.76 3fic n PRO 76 Ca 0.05 0.88 -0.30 0.00 -0.04 0.00 0.00 63.50 64.09 3fic n PRO 76 Cb 0.48 -2.65 0.19 0.00 -0.04 0.00 0.00 33.50 31.48 3fic n PRO 76 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3fic n GLU 77 N 3.07 -1.04 -4.26 0.54 2.13 -1.26 -4.64 120.64 115.18 3fic n GLU 77 Ca 0.14 -0.25 -0.25 0.00 0.66 0.00 0.00 57.16 57.46 3fic n GLU 77 Cb 0.33 -2.27 -0.08 0.00 0.27 0.00 0.00 31.44 29.69 3fic n GLU 77 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3fic s GLN 78 N -4.47 2.30 0.13 5.31 -0.21 -1.26 -0.23 119.66 121.23 3fic s GLN 78 Ca 0.66 -1.28 -0.12 0.00 0.02 0.00 0.00 55.36 54.64 3fic s GLN 78 Cb -0.23 -2.23 -0.07 0.00 1.00 0.00 0.00 33.01 31.47 3fic s GLN 78 CO 0.61 0.41 1.43 0.28 -2.12 0.00 0.00 175.29 175.90 3fic h VAL 79 N 2.22 1.28 -3.49 1.09 2.07 -1.88 -3.40 116.25 114.14 3fic h VAL 79 Ca -0.46 -1.63 -0.70 0.00 0.82 0.00 0.00 66.70 64.73 3fic h VAL 79 Cb 1.23 1.52 -0.31 0.00 -1.52 0.00 0.00 31.29 32.21 3fic h VAL 79 CO 0.58 0.54 -0.53 -0.63 0.02 0.00 0.00 177.57 177.56 3fic s ILE 80 N -4.26 3.67 -1.30 4.57 1.01 -1.26 -4.89 121.20 118.75 3fic s ILE 80 Ca -0.11 -1.70 0.25 0.00 0.00 0.00 0.00 60.65 59.09 3fic s ILE 80 Cb 0.10 -3.35 0.08 0.00 0.01 0.00 0.00 42.46 39.31 3fic s ILE 80 CO 0.88 -0.55 1.43 1.41 0.00 0.00 0.00 174.94 178.11 3fic n HIS 81 N 4.74 0.00 -3.53 3.97 8.25 -1.16 -4.88 115.22 122.62 3fic n HIS 81 Ca -0.07 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.39 3fic n HIS 81 Cb 0.42 -0.18 -0.04 0.00 1.12 0.00 0.00 29.99 31.30 3fic n HIS 81 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3fic s HIS 82 N -2.81 -0.97 -0.01 4.41 5.65 -0.50 -5.06 115.29 116.01 3fic s HIS 82 Ca 0.16 1.70 0.01 0.00 0.25 0.00 0.00 55.06 57.18 3fic s HIS 82 Cb 0.18 0.58 0.00 0.00 -1.18 0.00 0.00 32.58 32.16 3fic s HIS 82 CO 0.64 -0.48 -0.04 -1.50 -0.65 0.00 0.00 174.74 172.71 3fic s ILE 83 N 2.52 0.37 -0.27 0.89 2.07 -1.26 -2.10 121.20 123.42 3fic s ILE 83 Ca -0.05 -0.18 -0.13 0.00 -1.41 0.00 0.00 60.65 58.88 3fic s ILE 83 Cb -0.08 -0.33 0.09 0.00 0.13 0.00 0.00 42.46 42.27 3fic s ILE 83 CO -0.18 0.12 0.64 -0.60 -1.91 0.00 0.00 174.94 173.00 3fic s ARG 84 N 0.04 0.63 0.43 3.50 3.52 -1.12 -5.00 118.95 120.95 3fic s ARG 84 Ca 0.00 1.23 -0.24 0.00 -0.13 0.00 0.00 55.73 56.59 3fic s ARG 84 Cb -0.04 0.31 -0.08 0.00 -1.56 0.00 0.00 34.95 33.59 3fic s ARG 84 CO -0.00 -0.17 1.14 0.50 -0.81 0.00 0.00 175.30 175.96 3fic s ARG 85 N 1.97 3.93 0.00 5.12 3.52 -1.26 -3.03 118.95 129.20 3fic s ARG 85 Ca -0.09 1.74 0.00 0.00 -0.13 0.00 0.00 55.73 57.25 3fic s ARG 85 Cb -0.07 -2.51 0.00 0.00 -1.56 0.00 0.00 34.95 30.80 3fic s ARG 85 CO -0.19 -0.40 0.00 -0.89 -0.81 0.00 0.00 175.30 173.02 3fic n ILE 86 N -0.23 0.00 -1.55 4.11 2.08 -0.89 -4.88 119.36 118.00 3fic n ILE 86 Ca 0.06 0.00 -0.43 0.00 0.56 0.00 0.00 62.75 62.94 3fic n ILE 86 Cb 0.48 -0.58 -0.04 0.00 -0.75 0.00 0.00 39.64 38.75 3fic n ILE 86 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 3fic n SER 87 N -0.28 2.67 -4.91 4.38 2.88 -0.75 -4.87 113.62 112.74 3fic n SER 87 Ca 0.00 0.07 -0.23 0.00 -1.33 0.00 0.00 58.87 57.38 3fic n SER 87 Cb 0.00 -1.47 -0.03 0.00 -0.75 0.00 0.00 64.21 61.95 3fic n SER 87 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3fic s LYS 88 N 6.90 3.25 0.55 -1.46 1.02 -1.15 -4.80 119.74 124.06 3fic s LYS 88 Ca 1.04 -0.79 0.28 0.00 0.02 0.00 0.00 55.97 56.51 3fic s LYS 88 Cb -0.45 -2.81 1.61 0.00 -0.52 0.00 0.00 37.83 35.66 3fic s LYS 88 CO 0.37 0.46 2.16 -1.00 -0.92 0.00 0.00 175.35 176.41 3fic h PRO 89 N 1.69 0.00 -0.00 -1.68 0.13 -1.96 0.13 132.00 130.31 3fic h PRO 89 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3fic h PRO 89 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3fic h PRO 89 CO 0.63 0.06 -0.04 0.41 -0.23 0.00 0.00 178.00 178.84 3fic n GLY 90 N -1.03 -0.82 2.76 1.56 0.00 -1.26 -4.55 105.19 101.86 3fic n GLY 90 Ca -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 3fic n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fic s ARG 91 N -2.22 0.33 0.26 1.61 3.52 -0.01 -5.14 118.95 117.30 3fic s ARG 91 Ca 0.38 -0.24 -0.31 0.00 -0.13 0.00 0.00 55.73 55.43 3fic s ARG 91 Cb 0.21 0.01 -0.12 0.00 -1.56 0.00 0.00 34.95 33.48 3fic s ARG 91 CO 0.41 -0.44 1.53 0.54 -0.81 0.00 0.00 175.30 176.53 3fic n ARG 92 N 3.20 2.42 -3.87 5.12 5.12 -0.93 -2.93 116.66 124.78 3fic n ARG 92 Ca 0.10 0.86 -0.35 0.00 -1.93 0.00 0.00 57.85 56.53 3fic n ARG 92 Cb 0.63 -2.60 -0.13 0.00 -1.16 0.00 0.00 32.46 29.20 3fic n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3fic s VAL 93 N 0.12 3.00 0.09 1.55 1.01 -1.26 -4.92 120.40 120.00 3fic s VAL 93 Ca 0.67 -1.80 0.04 0.00 0.00 0.00 0.00 61.98 60.89 3fic s VAL 93 Cb -0.57 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 3fic s VAL 93 CO 0.47 -0.42 0.05 -0.31 0.00 0.00 0.00 175.10 174.89 3fic s TYR 94 N 1.16 3.10 0.02 5.22 2.02 -1.26 -0.21 117.35 127.38 3fic s TYR 94 Ca 0.03 0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.75 3fic s TYR 94 Cb -0.21 -1.57 -0.01 0.00 -0.40 0.00 0.00 41.96 39.76 3fic s TYR 94 CO -0.03 0.50 -0.03 0.14 -1.57 0.00 0.00 175.55 174.56 3fic s VAL 95 N -1.38 0.14 0.72 0.71 -7.23 -1.11 -4.88 120.40 107.36 3fic s VAL 95 Ca 0.28 -0.64 -0.08 0.00 -1.81 0.00 0.00 61.98 59.73 3fic s VAL 95 Cb -0.12 -0.23 0.06 0.00 0.56 0.00 0.00 36.38 36.65 3fic s VAL 95 CO 0.21 -0.32 1.05 -0.83 -0.31 0.00 0.00 175.10 174.90 3fic s GLY 96 N -0.99 1.65 0.49 2.32 0.00 -1.26 -2.45 107.32 107.08 3fic s GLY 96 Ca -0.10 -0.80 0.18 0.00 0.00 0.00 0.00 44.72 44.00 3fic s GLY 96 CO -0.01 -0.39 2.03 -0.24 0.00 0.00 0.00 173.10 174.49 3fic h VAL 97 N -0.67 0.87 0.00 1.40 3.04 -1.80 0.21 116.25 119.29 3fic h VAL 97 Ca -0.45 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 3fic h VAL 97 Cb 1.31 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 3fic h VAL 97 CO 0.62 0.03 -0.32 0.29 -1.01 0.00 0.00 177.57 177.18 3fic n LYS 98 N -4.45 0.08 0.00 4.17 5.02 -1.26 -3.78 118.16 117.93 3fic n LYS 98 Ca 0.07 0.04 0.12 0.00 -2.02 0.00 0.00 58.31 56.51 3fic n LYS 98 Cb 0.38 -1.56 0.16 0.00 -0.02 0.00 0.00 35.03 33.98 3fic n LYS 98 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3fic n GLU 99 N -1.69 0.02 -1.67 1.97 1.02 0.71 -4.96 120.64 116.05 3fic n GLU 99 Ca 0.06 -0.02 -0.45 0.00 -0.02 0.00 0.00 57.16 56.73 3fic n GLU 99 Cb 0.36 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.26 3fic n GLU 99 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3fic n ILE 100 N -1.47 0.98 -1.00 -3.67 5.41 -1.05 -4.83 119.36 113.72 3fic n ILE 100 Ca 0.05 -0.24 -0.32 0.00 1.00 0.00 0.00 62.75 63.24 3fic n ILE 100 Cb 0.33 -1.48 0.13 0.00 -0.71 0.00 0.00 39.64 37.92 3fic n ILE 100 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3fic s PRO 101 N -0.45 1.58 -0.70 0.38 0.02 -1.26 -5.01 135.00 129.56 3fic s PRO 101 Ca 0.68 1.49 0.03 0.00 0.02 0.00 0.00 61.00 63.22 3fic s PRO 101 Cb -0.65 -1.80 0.17 0.00 0.02 0.00 0.00 34.50 32.25 3fic s PRO 101 CO 0.50 -2.20 0.50 1.03 -0.33 0.00 0.00 177.00 176.50 3fic s ARG 102 N -4.56 2.53 0.12 5.54 3.00 -1.26 -4.86 118.95 119.46 3fic s ARG 102 Ca 0.67 -3.19 -0.31 0.00 0.00 0.00 0.00 55.73 52.90 3fic s ARG 102 Cb -0.22 -3.51 -0.10 0.00 0.00 0.00 0.00 34.95 31.11 3fic s ARG 102 CO 0.55 -1.25 1.86 0.28 0.00 0.00 0.00 175.30 176.74 3fic n VAL 103 N 2.27 0.42 -3.98 3.52 0.31 -1.26 -3.53 118.33 116.08 3fic n VAL 103 Ca 0.17 -0.08 -0.40 0.00 -0.01 0.00 0.00 64.34 64.03 3fic n VAL 103 Cb 0.35 -2.17 0.01 0.00 -0.91 0.00 0.00 33.84 31.13 3fic n VAL 103 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3fic n ARG 104 N 5.90 -0.67 -3.47 5.55 3.00 -1.26 -0.45 116.66 125.26 3fic n ARG 104 Ca 0.18 0.30 -0.23 0.00 -0.00 0.00 0.00 57.85 58.10 3fic n ARG 104 Cb 0.38 -2.44 -0.04 0.00 0.00 0.00 0.00 32.46 30.36 3fic n ARG 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3fic n ARG 105 N -4.25 -1.58 0.00 -0.14 5.12 -1.23 0.85 116.66 115.43 3fic n ARG 105 Ca -0.18 0.08 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 3fic n ARG 105 Cb 0.61 -4.19 0.00 0.00 -1.16 0.00 0.00 32.46 27.71 3fic n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fic n GLY 106 N -0.78 2.96 0.18 -0.13 0.00 0.41 -4.86 105.19 102.96 3fic n GLY 106 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 3fic n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fic h LEU 107 N 0.00 0.00-10.64 0.99 3.38 0.47 -3.45 115.31 106.05 3fic h LEU 107 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 3fic h LEU 107 Cb 0.00 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.84 3fic h LEU 107 CO 0.00 0.41 0.17 -0.83 0.09 0.00 0.00 178.44 178.28 3fic s GLY 108 N -4.34 1.75 0.35 0.83 0.00 -0.16 -4.97 107.32 100.79 3fic s GLY 108 Ca -0.02 -1.32 0.06 0.00 0.00 0.00 0.00 44.72 43.44 3fic s GLY 108 CO 0.73 -0.83 0.01 -1.50 0.00 0.00 0.00 173.10 171.51 3fic s ILE 109 N -3.22 1.63 -0.45 0.90 2.07 -0.68 -4.55 121.20 116.91 3fic s ILE 109 Ca 0.64 -2.04 0.07 0.00 -1.41 0.00 0.00 60.65 57.91 3fic s ILE 109 Cb -0.08 -2.79 0.25 0.00 0.13 0.00 0.00 42.46 39.97 3fic s ILE 109 CO 0.45 -0.07 0.79 0.00 -1.91 0.00 0.00 174.94 174.20 3fic n ALA 110 N -0.78 -0.08 -1.39 1.50 0.00 -1.26 -2.41 120.51 116.10 3fic n ALA 110 Ca -0.04 -2.09 -0.43 0.00 0.00 0.00 0.00 53.44 50.88 3fic n ALA 110 Cb 0.66 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.95 3fic n ALA 110 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3fic n ILE 111 N 1.42 1.42 -3.53 0.00 5.41 -1.23 -3.54 119.36 119.30 3fic n ILE 111 Ca 0.13 -0.50 -0.16 0.00 1.00 0.00 0.00 62.75 63.22 3fic n ILE 111 Cb 0.61 -0.26 -0.06 0.00 -0.71 0.00 0.00 39.64 39.22 3fic n ILE 111 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 3fic s LEU 112 N 2.86 -0.57 -0.01 1.39 0.05 -0.64 -2.12 118.68 119.64 3fic s LEU 112 Ca 0.62 0.61 -0.19 0.00 0.05 0.00 0.00 54.13 55.23 3fic s LEU 112 Cb -0.69 2.35 -0.05 0.00 -2.05 0.00 0.00 46.19 45.74 3fic s LEU 112 CO 0.59 -0.54 0.52 -0.55 -0.55 0.00 0.00 176.35 175.83 3fic s SER 113 N -1.20 6.90 0.22 1.48 0.15 -0.60 -2.30 113.70 118.35 3fic s SER 113 Ca -0.08 1.07 0.04 0.00 0.70 0.00 0.00 55.95 57.68 3fic s SER 113 Cb -0.00 -2.32 -0.05 0.00 -1.71 0.00 0.00 66.02 61.93 3fic s SER 113 CO 0.07 0.17 -0.03 0.42 1.20 0.00 0.00 173.24 175.07 3fic s THR 114 N -0.44 1.15 0.40 6.45 -4.23 0.15 -1.66 115.64 117.47 3fic s THR 114 Ca 0.28 -2.05 0.07 0.00 -1.18 0.00 0.00 61.69 58.81 3fic s THR 114 Cb -0.18 -2.27 0.28 0.00 1.34 0.00 0.00 72.50 71.67 3fic s THR 114 CO 0.15 -0.39 2.03 0.77 -0.54 0.00 0.00 174.62 176.64 3fic h SER 115 N 2.50 0.51 -2.13 3.99 4.64 -1.99 -2.83 113.55 118.24 3fic h SER 115 Ca -0.38 -0.01 -0.72 0.00 -0.47 0.00 0.00 61.79 60.21 3fic h SER 115 Cb 1.22 -0.12 -0.32 0.00 -0.31 0.00 0.00 62.40 62.87 3fic h SER 115 CO 0.65 0.36 0.44 0.29 -0.87 0.00 0.00 176.83 177.69 3fic n LYS 116 N -4.47 4.15 0.00 4.77 5.02 -1.26 -5.05 118.16 121.32 3fic n LYS 116 Ca 0.06 -4.47 0.00 0.00 -2.02 0.00 0.00 58.31 51.88 3fic n LYS 116 Cb 0.13 -2.35 0.00 0.00 -0.02 0.00 0.00 35.03 32.79 3fic n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fic n GLY 117 N -0.25 -3.45 3.37 0.72 0.00 -1.07 -4.90 105.19 99.62 3fic n GLY 117 Ca 0.44 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 3fic n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fic s VAL 118 N -0.75 4.59 0.54 1.61 1.01 -1.26 -0.67 120.40 125.46 3fic s VAL 118 Ca 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.09 3fic s VAL 118 Cb 0.00 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.80 3fic s VAL 118 CO 0.00 -0.27 0.11 -0.76 0.00 0.00 0.00 175.10 174.17 3fic s LEU 119 N 1.55 2.30 0.40 3.92 1.43 -0.97 -4.95 118.68 122.35 3fic s LEU 119 Ca 0.02 -1.60 0.07 0.00 -1.03 0.00 0.00 54.13 51.59 3fic s LEU 119 Cb -0.20 -0.80 -0.08 0.00 0.03 0.00 0.00 46.19 45.14 3fic s LEU 119 CO 0.06 -0.99 -0.00 0.42 0.23 0.00 0.00 176.35 176.07 3fic s THR 120 N -2.88 2.03 0.34 5.49 -4.23 -1.26 -1.62 115.64 113.50 3fic s THR 120 Ca 0.09 -2.03 0.03 0.00 -1.18 0.00 0.00 61.69 58.60 3fic s THR 120 Cb -0.01 -2.95 0.03 0.00 1.34 0.00 0.00 72.50 70.92 3fic s THR 120 CO 0.05 -0.03 0.92 -2.24 -0.54 0.00 0.00 174.62 172.78 3fic h ASP 121 N 1.81 0.00 0.00 3.99 2.03 -1.89 0.92 116.42 123.28 3fic h ASP 121 Ca -0.44 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.84 3fic h ASP 121 Cb 1.24 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.74 3fic h ASP 121 CO 0.79 0.00 -0.63 0.54 -1.03 0.00 0.00 179.24 178.91 3fic n ARG 122 N -1.95 0.26 -0.09 4.15 1.74 -1.26 -4.34 116.66 115.17 3fic n ARG 122 Ca -0.00 0.11 -0.04 0.00 -0.77 0.00 0.00 57.85 57.14 3fic n ARG 122 Cb 0.70 -0.96 -0.03 0.00 -1.02 0.00 0.00 32.46 31.15 3fic n ARG 122 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3fic h GLU 123 N -0.49 -0.06 -0.79 5.56 5.08 -1.58 0.68 114.58 123.00 3fic h GLU 123 Ca -0.04 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.50 3fic h GLU 123 Cb 0.58 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.73 3fic h GLU 123 CO -0.02 -0.04 0.26 0.00 -1.00 0.00 0.00 179.01 178.21 3fic h ALA 124 N -0.69 1.10 -0.58 3.43 0.00 -1.18 0.35 119.26 121.69 3fic h ALA 124 Ca 0.04 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3fic h ALA 124 Cb 0.16 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3fic h ALA 124 CO -0.25 -0.30 0.36 -0.09 0.00 0.00 0.00 179.25 178.96 3fic h ARG 125 N 0.35 0.69 -0.19 0.00 2.43 -1.11 0.60 114.38 117.16 3fic h ARG 125 Ca 0.45 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.57 3fic h ARG 125 Cb 0.78 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3fic h ARG 125 CO -0.49 0.46 0.08 -0.22 -1.51 0.00 0.00 179.97 178.29 3fic h LYS 126 N 0.71 0.27 0.00 0.20 3.64 0.32 0.11 116.57 121.82 3fic h LYS 126 Ca 0.23 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3fic h LYS 126 Cb 0.00 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3fic h LYS 126 CO -0.09 0.31 0.00 -0.07 -2.27 0.00 0.00 179.45 177.33 3fic h LEU 127 N 0.16 0.00 -2.47 5.20 -0.00 0.19 -3.47 115.31 114.93 3fic h LEU 127 Ca 0.06 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.74 3fic h LEU 127 Cb 0.14 0.00 0.15 0.00 -0.00 0.00 0.00 40.66 40.94 3fic h LEU 127 CO -0.01 0.00 -0.66 0.61 -0.00 0.00 0.00 178.44 178.38 3fic n GLY 128 N -0.68 -1.18 0.00 0.83 0.00 0.20 -5.03 105.19 99.34 3fic n GLY 128 Ca -0.00 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.57 3fic n GLY 128 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3fic n VAL 129 N -2.92 0.00 0.00 1.61 0.24 -0.89 -4.98 118.33 111.40 3fic n VAL 129 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 3fic n VAL 129 Cb 0.59 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 3fic n VAL 129 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fic n GLY 130 N 2.20 -0.12 0.00 7.63 0.00 -1.26 -2.10 105.19 111.54 3fic n GLY 130 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3fic n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fic n GLY 131 N -0.14 -1.25 3.55 -0.02 0.00 -1.02 -4.05 105.19 102.25 3fic n GLY 131 Ca 0.00 -1.36 -0.46 0.00 0.00 0.00 0.00 46.02 44.20 3fic n GLY 131 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3fic n GLU 132 N -0.24 1.67 -1.91 1.61 2.13 -0.66 -2.76 120.64 120.48 3fic n GLU 132 Ca 0.00 0.45 -0.24 0.00 0.66 0.00 0.00 57.16 58.04 3fic n GLU 132 Cb 0.00 -2.98 -0.08 0.00 0.27 0.00 0.00 31.44 28.65 3fic n GLU 132 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3fic s LEU 133 N 7.99 2.83 0.23 4.31 0.20 0.70 -1.56 118.68 133.39 3fic s LEU 133 Ca 1.04 -1.36 -0.07 0.00 0.69 0.00 0.00 54.13 54.42 3fic s LEU 133 Cb -0.51 -2.59 0.38 0.00 -0.43 0.00 0.00 46.19 43.05 3fic s LEU 133 CO 0.40 -3.62 1.69 0.40 -0.29 0.00 0.00 176.35 174.92 3fic h ILE 134 N 6.43 0.55 0.00 6.68 1.08 -1.83 -1.98 117.51 128.43 3fic h ILE 134 Ca 0.14 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.53 3fic h ILE 134 Cb 0.96 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 34.99 3fic h ILE 134 CO 1.15 0.04 0.00 0.00 -0.69 0.00 0.00 178.15 178.66 3fic s GLU 136 N -0.14 0.70 0.34 0.00 -1.05 -1.17 -3.58 118.70 113.80 3fic s GLU 136 Ca 0.00 0.98 0.06 0.00 -0.15 0.00 0.00 54.97 55.86 3fic s GLU 136 Cb 0.00 0.26 -0.07 0.00 -0.44 0.00 0.00 34.13 33.88 3fic s GLU 136 CO 0.00 -0.11 -0.01 0.08 0.95 0.00 0.00 175.26 176.18 3fic s VAL 137 N 0.88 1.67 0.00 1.83 1.01 -1.01 -2.78 120.40 122.00 3fic s VAL 137 Ca -0.04 -2.06 0.00 0.00 0.00 0.00 0.00 61.98 59.88 3fic s VAL 137 Cb -0.05 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.59 3fic s VAL 137 CO -0.09 -0.11 0.00 -2.67 0.00 0.00 0.00 175.10 172.24