#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ayp h LEU 2 N 0.00 0.00 0.21 -4.53 3.38 -1.59 -2.97 115.31 109.80 1ayp h LEU 2 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ayp h LEU 2 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1ayp h LEU 2 CO 0.00 0.19 -0.15 0.58 0.09 0.00 0.00 178.44 179.15 1ayp h VAL 3 N 0.00 0.67 -0.29 1.22 2.07 -1.99 -1.69 116.25 116.25 1ayp h VAL 3 Ca -0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1ayp h VAL 3 Cb 1.08 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 1ayp h VAL 3 CO 0.02 0.00 -0.10 0.78 0.02 0.00 0.00 177.57 178.30 1ayp h ASN 4 N -0.36 -0.34 -0.65 0.57 4.21 -1.95 -1.89 115.58 115.17 1ayp h ASN 4 Ca -0.01 0.10 0.14 0.00 1.21 0.00 0.00 56.30 57.73 1ayp h ASN 4 Cb 0.32 0.21 -0.11 0.00 -1.12 0.00 0.00 38.32 37.61 1ayp h ASN 4 CO -0.00 -0.13 -0.03 0.15 -1.29 0.00 0.00 177.43 176.13 1ayp h PHE 5 N -0.04 -0.10 0.00 1.19 3.57 -1.36 0.14 116.94 120.34 1ayp h PHE 5 Ca 0.14 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 1ayp h PHE 5 Cb 0.26 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1ayp h PHE 5 CO -0.30 -0.20 -0.38 1.25 -2.23 0.00 0.00 178.31 176.45 1ayp h HIS 6 N 0.09 0.00 -0.09 0.41 2.76 -0.67 -0.74 115.15 116.92 1ayp h HIS 6 Ca 0.34 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 58.30 1ayp h HIS 6 Cb 0.55 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.51 1ayp h HIS 6 CO -0.41 0.38 -0.80 0.00 -1.30 0.00 0.00 177.93 175.80 1ayp h ARG 7 N 0.00 0.56 -0.24 5.26 3.08 -0.03 -3.19 114.38 119.82 1ayp h ARG 7 Ca -0.00 -0.49 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 1ayp h ARG 7 Cb 0.90 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 1ayp h ARG 7 CO 0.05 1.11 0.12 0.52 -1.07 0.00 0.00 179.97 180.70 1ayp h MET 8 N 0.37 0.34 -1.00 0.04 2.86 -0.49 -2.53 114.93 114.53 1ayp h MET 8 Ca -0.05 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.61 1ayp h MET 8 Cb 1.41 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 32.94 1ayp h MET 8 CO 0.15 0.33 0.64 0.82 1.06 0.00 0.00 176.91 179.91 1ayp h ILE 9 N 0.26 1.07 -0.55 -1.22 2.04 -1.22 -2.00 117.51 115.89 1ayp h ILE 9 Ca 0.08 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1ayp h ILE 9 Cb 0.10 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 35.97 1ayp h ILE 9 CO -0.01 0.21 0.24 0.50 0.00 0.00 0.00 178.15 179.08 1ayp h LYS 10 N 1.15 0.82 -0.55 2.37 3.64 -1.45 -0.26 116.57 122.30 1ayp h LYS 10 Ca 0.44 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.61 1ayp h LYS 10 Cb 0.20 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1ayp h LYS 10 CO -0.18 0.70 0.07 -0.07 -2.27 0.00 0.00 179.45 177.70 1ayp h LEU 11 N 0.76 0.84 0.00 5.20 3.38 -1.26 0.25 115.31 124.47 1ayp h LEU 11 Ca 0.19 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1ayp h LEU 11 Cb 0.18 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1ayp h LEU 11 CO -0.02 0.86 -0.84 0.71 0.09 0.00 0.00 178.44 179.24 1ayp h THR 12 N 0.83 1.12 0.00 0.22 1.35 -1.14 -3.42 112.91 111.87 1ayp h THR 12 Ca 0.17 -2.64 0.00 0.00 -0.55 0.00 0.00 66.41 63.39 1ayp h THR 12 Cb 0.40 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1ayp h THR 12 CO 0.01 0.64 -0.68 0.35 -0.25 0.00 0.00 175.52 175.58 1ayp n THR 13 N -3.22 0.00 -0.44 6.82 -2.24 -0.13 -4.63 114.28 110.43 1ayp n THR 13 Ca -0.01 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1ayp n THR 13 Cb 0.84 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1ayp n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ayp n GLY 14 N 1.88 2.00 3.90 3.38 0.00 0.87 -4.99 105.19 112.24 1ayp n GLY 14 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1ayp n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ayp s LYS 15 N -0.04 3.62 -1.08 1.61 1.02 -1.26 -4.92 119.74 118.69 1ayp s LYS 15 Ca 0.00 -0.08 -0.03 0.00 0.02 0.00 0.00 55.97 55.88 1ayp s LYS 15 Cb 0.00 -2.79 0.23 0.00 -0.52 0.00 0.00 37.83 34.75 1ayp s LYS 15 CO 0.00 0.39 2.12 0.39 -0.92 0.00 0.00 175.35 177.34 1ayp n GLU 16 N -0.26 4.68 0.00 1.68 1.02 -1.26 -3.62 120.64 122.88 1ayp n GLU 16 Ca -0.02 -3.96 0.00 0.00 -0.02 0.00 0.00 57.16 53.16 1ayp n GLU 16 Cb 0.53 -2.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 1ayp n GLU 16 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ayp n ALA 17 N 0.61 0.00 -0.03 0.62 0.00 -1.26 -3.74 120.51 116.71 1ayp n ALA 17 Ca 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.86 1ayp n ALA 17 Cb 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.66 1ayp n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ayp h ALA 18 N 0.00 0.16 0.00 0.00 0.00 -1.95 0.46 119.26 117.94 1ayp h ALA 18 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1ayp h ALA 18 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1ayp h ALA 18 CO 0.00 -0.18 -0.62 -0.07 0.00 0.00 0.00 179.25 178.38 1ayp h LEU 19 N -0.02 0.00 0.17 0.00 -0.00 -1.98 0.35 115.31 113.83 1ayp h LEU 19 Ca 0.04 0.00 -0.34 0.00 -0.00 0.00 0.00 57.88 57.58 1ayp h LEU 19 Cb 0.29 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.96 1ayp h LEU 19 CO 0.00 0.42 -1.69 0.77 -0.00 0.00 0.00 178.44 177.94 1ayp h SER 20 N 0.00 0.57 0.00 -0.43 4.64 -1.77 -3.43 113.55 113.13 1ayp h SER 20 Ca -0.03 -0.82 0.00 0.00 -0.47 0.00 0.00 61.79 60.47 1ayp h SER 20 Cb 1.34 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1ayp h SER 20 CO 0.05 1.69 -0.86 -1.22 -0.87 0.00 0.00 176.83 175.63 1ayp n TYR 21 N -3.56 0.00 -0.30 4.77 4.01 0.14 -4.52 117.16 117.70 1ayp n TYR 21 Ca -0.22 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.70 1ayp n TYR 21 Cb 1.07 0.00 0.45 0.00 -0.31 0.00 0.00 39.34 40.55 1ayp n TYR 21 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1ayp h GLY 22 N 0.00 1.23 -0.21 2.72 0.00 -0.73 -2.34 103.07 103.75 1ayp h GLY 22 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1ayp h GLY 22 CO 0.00 -0.05 0.00 0.69 0.00 0.00 0.00 176.54 177.18 1ayp n PHE 23 N -4.61 0.08 -0.78 5.60 3.72 -1.25 -3.16 117.46 117.06 1ayp n PHE 23 Ca 0.22 -0.55 -0.31 0.00 -0.05 0.00 0.00 57.45 56.76 1ayp n PHE 23 Cb 0.70 -0.06 0.16 0.00 -0.94 0.00 0.00 39.48 39.33 1ayp n PHE 23 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 1ayp s TYR 24 N -1.21 1.75 0.00 1.38 6.14 -0.88 -3.73 117.35 120.81 1ayp s TYR 24 Ca 0.07 1.75 0.00 0.00 0.64 0.00 0.00 57.07 59.53 1ayp s TYR 24 Cb 0.05 -3.30 0.00 0.00 0.42 0.00 0.00 41.96 39.13 1ayp s TYR 24 CO 0.03 -2.69 0.00 0.41 0.64 0.00 0.00 175.55 173.94 1ayp n GLY 25 N 0.00 0.80 0.12 8.97 0.00 -0.23 -2.71 105.19 112.14 1ayp n GLY 25 Ca 0.11 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 1ayp n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ayp n HIS 27 N -4.03 0.00 -3.47 0.00 8.25 -1.26 -3.79 115.22 110.92 1ayp n HIS 27 Ca -0.22 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.85 1ayp n HIS 27 Cb 0.85 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.86 1ayp n HIS 27 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ayp n GLY 29 N 4.87 0.13 3.72 0.00 0.00 -1.19 -2.69 105.19 110.03 1ayp n GLY 29 Ca -0.11 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.21 1ayp n GLY 29 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ayp n VAL 30 N 0.00 2.47 -4.29 1.61 0.31 -1.26 -4.71 118.33 112.45 1ayp n VAL 30 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1ayp n VAL 30 Cb 0.00 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.29 1ayp n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ayp n GLY 31 N 0.74 -0.68 0.00 2.92 0.00 -1.26 -5.00 105.19 101.91 1ayp n GLY 31 Ca 0.06 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1ayp n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ayp n GLY 32 N 0.00 3.32 3.65 -0.02 0.00 -1.26 -4.75 105.19 106.13 1ayp n GLY 32 Ca 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 46.02 45.09 1ayp n GLY 32 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ayp s ARG 33 N -2.10 0.29 0.00 1.61 3.52 -1.25 -4.99 118.95 116.03 1ayp s ARG 33 Ca 0.00 0.50 0.00 0.00 -0.13 0.00 0.00 55.73 56.10 1ayp s ARG 33 Cb 0.00 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 1ayp s ARG 33 CO 0.00 -0.06 0.00 0.41 -0.81 0.00 0.00 175.30 174.84 1ayp n GLY 34 N 3.45 0.53 3.81 8.12 0.00 -1.26 -4.65 105.19 115.19 1ayp n GLY 34 Ca -0.18 -1.95 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 1ayp n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ayp s SER 35 N -0.71 5.23 0.52 1.61 0.01 -0.07 -3.80 113.70 116.50 1ayp s SER 35 Ca 0.00 1.64 -0.13 0.00 1.31 0.00 0.00 55.95 58.77 1ayp s SER 35 Cb 0.00 -2.49 -0.06 0.00 0.21 0.00 0.00 66.02 63.68 1ayp s SER 35 CO 0.00 -1.54 0.94 -2.84 0.41 0.00 0.00 173.24 170.21 1ayp s PRO 36 N -5.03 3.79 0.00 12.44 0.02 -1.26 -4.65 135.00 140.30 1ayp s PRO 36 Ca 0.59 0.74 0.00 0.00 0.02 0.00 0.00 61.00 62.35 1ayp s PRO 36 Cb -0.14 -2.19 0.00 0.00 0.02 0.00 0.00 34.50 32.19 1ayp s PRO 36 CO 0.55 -0.30 0.00 1.63 -0.33 0.00 0.00 177.00 178.55 1ayp n LYS 37 N -1.91 1.03 -0.48 5.54 4.76 -1.26 -5.00 118.16 120.84 1ayp n LYS 37 Ca 0.05 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.20 1ayp n LYS 37 Cb 0.54 0.00 0.23 0.00 -1.84 0.00 0.00 35.03 33.96 1ayp n LYS 37 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1ayp n ASP 38 N 0.00 -2.64 -0.34 4.39 5.75 -1.26 -4.73 116.55 117.72 1ayp n ASP 38 Ca 0.00 -0.34 0.13 0.00 -0.01 0.00 0.00 54.79 54.57 1ayp n ASP 38 Cb 0.00 -1.05 0.32 0.00 -1.03 0.00 0.00 41.12 39.36 1ayp n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ayp h ALA 39 N -2.73 1.62 -0.88 2.12 0.00 -1.95 -0.96 119.26 116.49 1ayp h ALA 39 Ca -0.52 0.09 0.13 0.00 0.00 0.00 0.00 54.91 54.61 1ayp h ALA 39 Cb 1.28 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1ayp h ALA 39 CO 0.37 -0.09 0.57 1.15 0.00 0.00 0.00 179.25 181.25 1ayp h THR 40 N 0.71 0.88 -0.06 0.00 2.02 -1.90 -0.45 112.91 114.11 1ayp h THR 40 Ca 0.57 -0.26 -0.15 0.00 0.77 0.00 0.00 66.41 67.35 1ayp h THR 40 Cb 0.92 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1ayp h THR 40 CO -0.40 0.14 -0.64 -0.78 0.37 0.00 0.00 175.52 174.21 1ayp h ASP 41 N 0.75 0.25 0.73 4.18 3.58 -1.48 -2.20 116.42 122.23 1ayp h ASP 41 Ca 0.43 -0.15 -0.03 0.00 0.42 0.00 0.00 57.03 57.70 1ayp h ASP 41 Cb 0.60 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.57 1ayp h ASP 41 CO -0.19 0.82 -0.13 0.03 -2.88 0.00 0.00 179.24 176.89 1ayp h ARG 42 N 0.16 0.00 -0.30 0.28 3.08 -1.05 -1.56 114.38 114.98 1ayp h ARG 42 Ca -0.01 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1ayp h ARG 42 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 1ayp h ARG 42 CO 0.10 0.13 -0.10 0.00 -1.07 0.00 0.00 179.97 179.03 1ayp h VAL 45 N 0.00 1.30 -0.25 0.00 3.04 -1.15 -1.03 116.25 118.16 1ayp h VAL 45 Ca -0.00 -1.57 -0.16 0.00 -1.01 0.00 0.00 66.70 63.96 1ayp h VAL 45 Cb 0.36 1.57 -0.01 0.00 -2.01 0.00 0.00 31.29 31.20 1ayp h VAL 45 CO 0.03 0.49 -0.50 0.74 -1.01 0.00 0.00 177.57 177.32 1ayp h THR 46 N 0.44 1.30 -0.69 3.17 2.02 -1.37 0.17 112.91 117.95 1ayp h THR 46 Ca 0.04 -1.70 -0.01 0.00 0.77 0.00 0.00 66.41 65.50 1ayp h THR 46 Cb 0.90 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.91 1ayp h THR 46 CO 0.08 0.54 0.37 -0.74 0.37 0.00 0.00 175.52 176.15 1ayp h HIS 47 N 0.54 0.93 -0.40 3.16 6.17 -1.46 0.11 115.15 124.20 1ayp h HIS 47 Ca 0.02 -0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.04 1ayp h HIS 47 Cb 1.06 -0.30 -0.02 0.00 2.52 0.00 0.00 27.41 30.67 1ayp h HIS 47 CO 0.05 0.65 0.08 -0.44 0.71 0.00 0.00 177.93 178.98 1ayp h ASP 48 N 0.96 0.63 0.07 3.26 5.19 0.02 -1.60 116.42 124.95 1ayp h ASP 48 Ca 0.24 -0.25 -0.05 0.00 -0.62 0.00 0.00 57.03 56.35 1ayp h ASP 48 Cb 0.03 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.36 1ayp h ASP 48 CO -0.04 0.72 -0.15 0.00 -3.12 0.00 0.00 179.24 176.65 1ayp h TYR 51 N 0.67 0.00 -0.77 0.00 -1.99 -1.14 -2.98 116.97 110.77 1ayp h TYR 51 Ca 0.03 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.72 1ayp h TYR 51 Cb 1.08 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.78 1ayp h TYR 51 CO 0.07 0.61 0.32 0.87 -0.00 0.00 0.00 178.16 180.03 1ayp h LYS 52 N 0.00 1.13 -0.59 4.88 1.57 -0.86 -0.73 116.57 121.98 1ayp h LYS 52 Ca -0.01 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 1ayp h LYS 52 Cb 1.24 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 1ayp h LYS 52 CO 0.08 0.91 0.27 -0.09 -0.57 0.00 0.00 179.45 180.05 1ayp h ARG 53 N 1.11 0.84 0.15 3.15 2.43 -1.23 -0.97 114.38 119.87 1ayp h ARG 53 Ca 0.26 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1ayp h ARG 53 Cb 0.19 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1ayp h ARG 53 CO -0.02 0.67 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.96 1ayp h LEU 54 N 0.84 -0.18 -0.91 3.80 4.07 -1.34 -3.23 115.31 118.36 1ayp h LEU 54 Ca 0.20 -0.31 0.08 0.00 0.08 0.00 0.00 57.88 57.93 1ayp h LEU 54 Cb 0.12 0.05 -0.07 0.00 1.08 0.00 0.00 40.66 41.83 1ayp h LEU 54 CO -0.02 0.25 0.56 -0.08 -1.08 0.00 0.00 178.44 178.07 1ayp h GLU 55 N -0.65 0.95 -0.88 1.13 4.81 -1.13 -0.23 114.58 118.59 1ayp h GLU 55 Ca -0.02 -0.06 0.15 0.00 -0.13 0.00 0.00 59.36 59.31 1ayp h GLU 55 Cb 0.48 -0.21 -0.10 0.00 0.63 0.00 0.00 28.75 29.55 1ayp h GLU 55 CO 0.03 0.63 0.46 -0.22 -0.73 0.00 0.00 179.01 179.19 1ayp h LYS 56 N 0.98 0.62 -0.58 1.92 3.11 -1.23 -0.82 116.57 120.58 1ayp h LYS 56 Ca 0.42 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.22 1ayp h LYS 56 Cb 0.28 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.37 1ayp h LYS 56 CO -0.21 0.41 0.00 0.54 -2.81 0.00 0.00 179.45 177.38 1ayp n ARG 57 N -4.86 2.42 -0.33 1.90 1.74 -0.84 -4.90 116.66 111.79 1ayp n ARG 57 Ca 0.18 -2.10 0.00 0.00 -0.77 0.00 0.00 57.85 55.16 1ayp n ARG 57 Cb 0.46 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 1ayp n ARG 57 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ayp n GLY 58 N 1.37 0.83 3.84 -0.13 0.00 -0.31 -5.05 105.19 105.73 1ayp n GLY 58 Ca 0.19 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1ayp n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ayp s GLY 60 N -1.47 1.66 0.00 0.00 0.00 -1.26 -3.63 107.32 102.62 1ayp s GLY 60 Ca 0.33 0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.32 1ayp s GLY 60 CO 0.18 0.67 0.00 -1.30 0.00 0.00 0.00 173.10 172.66 1ayp n THR 61 N -3.83 0.00 -0.37 0.90 -2.24 -1.26 -4.84 114.28 102.64 1ayp n THR 61 Ca 0.09 0.00 0.30 0.00 -2.27 0.00 0.00 64.05 62.17 1ayp n THR 61 Cb 0.53 0.00 0.57 0.00 -2.10 0.00 0.00 70.33 69.33 1ayp n THR 61 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1ayp h LYS 62 N 0.00 0.17 -0.26 -0.78 1.57 -1.96 -1.90 116.57 113.41 1ayp h LYS 62 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ayp h LYS 62 Cb 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1ayp h LYS 62 CO 0.00 0.11 0.00 1.19 -0.57 0.00 0.00 179.45 180.18 1ayp n PHE 63 N -4.93 0.67 -3.81 -1.35 3.72 -1.26 -1.71 117.46 108.79 1ayp n PHE 63 Ca 0.35 -0.74 -0.36 0.00 -0.05 0.00 0.00 57.45 56.64 1ayp n PHE 63 Cb 1.21 -0.20 -0.13 0.00 -0.94 0.00 0.00 39.48 39.42 1ayp n PHE 63 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1ayp s LEU 64 N -2.14 3.44 0.54 4.37 2.96 -0.72 -4.88 118.68 122.25 1ayp s LEU 64 Ca 0.33 -0.51 -0.20 0.00 -0.22 0.00 0.00 54.13 53.53 1ayp s LEU 64 Cb 0.25 -1.84 -0.06 0.00 0.50 0.00 0.00 46.19 45.05 1ayp s LEU 64 CO 0.10 -0.10 1.18 -0.44 -1.32 0.00 0.00 176.35 175.77 1ayp s SER 65 N 1.51 5.65 0.30 3.68 0.01 -1.26 0.90 113.70 124.49 1ayp s SER 65 Ca 0.04 2.31 0.03 0.00 1.31 0.00 0.00 55.95 59.64 1ayp s SER 65 Cb -0.16 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.45 1ayp s SER 65 CO 0.01 -1.27 0.30 -0.72 0.41 0.00 0.00 173.24 171.96 1ayp s TYR 66 N -1.63 1.43 -0.02 2.43 -0.85 -1.26 -4.72 117.35 112.72 1ayp s TYR 66 Ca 0.72 -1.49 0.05 0.00 -0.52 0.00 0.00 57.07 55.83 1ayp s TYR 66 Cb -0.28 -0.51 -0.01 0.00 0.38 0.00 0.00 41.96 41.54 1ayp s TYR 66 CO 0.32 -0.89 -0.18 0.15 -1.52 0.00 0.00 175.55 173.43 1ayp s LYS 67 N -3.52 1.55 0.29 -3.49 1.02 -1.26 -4.96 119.74 109.36 1ayp s LYS 67 Ca 0.37 -0.63 0.03 0.00 0.02 0.00 0.00 55.97 55.77 1ayp s LYS 67 Cb 0.03 -1.45 -0.03 0.00 -0.52 0.00 0.00 37.83 35.86 1ayp s LYS 67 CO 0.22 0.34 0.25 -0.59 -0.92 0.00 0.00 175.35 174.65 1ayp s PHE 68 N -0.27 1.47 0.06 3.18 -0.71 -1.26 -0.79 117.98 119.66 1ayp s PHE 68 Ca 0.03 -1.52 -0.02 0.00 -1.04 0.00 0.00 56.93 54.39 1ayp s PHE 68 Cb -0.08 -0.59 -0.04 0.00 -1.21 0.00 0.00 43.02 41.10 1ayp s PHE 68 CO 0.00 -0.82 -0.01 0.45 -1.34 0.00 0.00 175.22 173.50 1ayp s SER 69 N -3.28 0.45 0.03 1.98 0.15 0.59 -4.89 113.70 108.74 1ayp s SER 69 Ca 0.39 -0.98 -0.17 0.00 0.70 0.00 0.00 55.95 55.89 1ayp s SER 69 Cb 0.04 0.22 0.03 0.00 -1.71 0.00 0.00 66.02 64.59 1ayp s SER 69 CO 0.22 -0.62 0.37 0.54 1.20 0.00 0.00 173.24 174.95 1ayp s ASN 70 N -2.92 -0.23 -0.15 5.45 4.22 -1.26 -0.87 114.94 119.18 1ayp s ASN 70 Ca 0.08 -0.03 0.00 0.00 -2.14 0.00 0.00 52.86 50.77 1ayp s ASN 70 Cb 0.08 0.39 0.02 0.00 1.28 0.00 0.00 41.25 43.02 1ayp s ASN 70 CO -0.10 -0.62 -0.14 -0.44 -2.04 0.00 0.00 177.10 173.77 1ayp s SER 71 N -1.91 2.70 1.69 3.54 0.01 -0.73 -5.00 113.70 114.00 1ayp s SER 71 Ca -0.06 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.70 1ayp s SER 71 Cb -0.01 -1.17 0.00 0.00 0.21 0.00 0.00 66.02 65.04 1ayp s SER 71 CO -0.01 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1ayp n GLY 72 N 4.77 2.68 1.03 3.44 0.00 -1.26 -1.20 105.19 114.65 1ayp n GLY 72 Ca -0.17 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 45.69 1ayp n GLY 72 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ayp n SER 73 N 5.44 3.04 -4.71 1.61 3.41 -1.26 -4.90 113.62 116.25 1ayp n SER 73 Ca 0.00 -1.94 -0.41 0.00 -0.26 0.00 0.00 58.87 56.26 1ayp n SER 73 Cb 0.00 -0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 63.64 1ayp n SER 73 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1ayp s ARG 74 N -1.46 4.49 -0.03 4.33 3.52 -0.34 -4.80 118.95 124.66 1ayp s ARG 74 Ca 0.38 1.16 0.07 0.00 -0.13 0.00 0.00 55.73 57.21 1ayp s ARG 74 Cb 0.21 -3.46 -0.02 0.00 -1.56 0.00 0.00 34.95 30.12 1ayp s ARG 74 CO 0.29 -0.02 -0.25 0.42 -0.81 0.00 0.00 175.30 174.93 1ayp s ILE 75 N 1.01 2.10 -0.12 4.11 1.01 -1.26 -1.77 121.20 126.28 1ayp s ILE 75 Ca 0.45 -1.08 -0.00 0.00 0.00 0.00 0.00 60.65 60.01 1ayp s ILE 75 Cb -0.19 -1.73 0.03 0.00 0.01 0.00 0.00 42.46 40.57 1ayp s ILE 75 CO 0.22 0.58 -0.08 0.28 0.00 0.00 0.00 174.94 175.94 1ayp s THR 76 N -0.51 1.09 0.21 2.92 -1.32 -0.05 -4.97 115.64 113.01 1ayp s THR 76 Ca 0.07 -0.34 -0.30 0.00 -1.21 0.00 0.00 61.69 59.91 1ayp s THR 76 Cb -0.11 -1.10 -0.09 0.00 -1.51 0.00 0.00 72.50 69.69 1ayp s THR 76 CO 0.00 0.36 1.19 0.00 -2.21 0.00 0.00 174.62 173.96 1ayp s ALA 78 N -0.35 1.44 -0.12 0.00 0.00 0.03 -4.91 121.76 117.85 1ayp s ALA 78 Ca 0.51 -0.18 -0.28 0.00 0.00 0.00 0.00 51.96 52.01 1ayp s ALA 78 Cb -0.33 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.62 1ayp s ALA 78 CO 0.39 -2.44 0.92 0.21 0.00 0.00 0.00 175.76 174.84 1ayp s LYS 79 N -4.98 4.38 0.00 0.00 2.20 -1.26 -4.84 119.74 115.24 1ayp s LYS 79 Ca 0.64 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 57.47 1ayp s LYS 79 Cb -0.18 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 1ayp s LYS 79 CO 0.57 -0.29 0.00 1.04 -0.36 0.00 0.00 175.35 176.30 1ayp n GLN 80 N 5.00 0.00 -2.42 4.03 6.02 -1.26 -5.08 117.38 123.67 1ayp n GLN 80 Ca 0.07 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.74 1ayp n GLN 80 Cb 0.49 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.73 1ayp n GLN 80 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1ayp s ASP 81 N -0.51 6.49 0.17 1.08 -4.77 -1.26 -4.67 116.67 113.20 1ayp s ASP 81 Ca 0.00 1.38 -0.10 0.00 -3.30 0.00 0.00 52.55 50.52 1ayp s ASP 81 Cb 0.00 -2.43 0.21 0.00 -1.09 0.00 0.00 42.92 39.61 1ayp s ASP 81 CO 0.00 -0.60 1.07 -1.20 0.70 0.00 0.00 175.17 175.15 1ayp n SER 82 N -1.81 -0.39 0.07 2.11 7.64 -1.26 -1.13 113.62 118.86 1ayp n SER 82 Ca 0.05 1.20 -0.13 0.00 1.01 0.00 0.00 58.87 61.00 1ayp n SER 82 Cb 0.54 -0.30 -0.08 0.00 -1.01 0.00 0.00 64.21 63.35 1ayp n SER 82 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ayp h ARG 84 N -0.46 0.40 -0.27 0.00 3.08 -1.67 0.77 114.38 116.22 1ayp h ARG 84 Ca -0.02 -0.14 -0.18 0.00 0.07 0.00 0.00 59.98 59.71 1ayp h ARG 84 Cb 0.37 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1ayp h ARG 84 CO 0.03 0.61 -0.56 0.77 -1.07 0.00 0.00 179.97 179.74 1ayp h SER 85 N 0.36 0.92 0.40 7.04 0.02 -0.93 -1.85 113.55 119.52 1ayp h SER 85 Ca 0.06 -0.50 -0.25 0.00 -0.84 0.00 0.00 61.79 60.26 1ayp h SER 85 Cb 0.60 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.88 1ayp h SER 85 CO 0.04 1.29 -1.06 -0.61 -1.14 0.00 0.00 176.83 175.35 1ayp h GLN 86 N 0.63 0.39 0.09 3.45 4.15 -0.88 -1.76 115.11 121.18 1ayp h GLN 86 Ca 0.01 -0.49 -0.00 0.00 0.77 0.00 0.00 58.65 58.93 1ayp h GLN 86 Cb 1.16 0.16 0.00 0.00 0.21 0.00 0.00 27.48 29.01 1ayp h GLN 86 CO 0.12 1.17 -0.04 1.25 -1.93 0.00 0.00 178.83 179.40 1ayp h LEU 87 N 0.19 -0.10 0.07 -2.39 5.85 -0.92 -0.39 115.31 117.62 1ayp h LEU 87 Ca -0.11 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.44 1ayp h LEU 87 Cb 1.73 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.76 1ayp h LEU 87 CO 0.18 0.13 -0.19 0.00 -0.34 0.00 0.00 178.44 178.23 1ayp h GLU 89 N -0.34 0.52 -0.16 0.00 3.07 -1.32 0.40 114.58 116.76 1ayp h GLU 89 Ca 0.04 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1ayp h GLU 89 Cb 0.38 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1ayp h GLU 89 CO -0.13 0.34 0.06 0.00 -1.40 0.00 0.00 179.01 177.88 1ayp h ASP 91 N 0.09 -0.35 -0.66 0.00 5.19 0.38 -2.27 116.42 118.80 1ayp h ASP 91 Ca 0.05 -0.03 0.13 0.00 -0.62 0.00 0.00 57.03 56.56 1ayp h ASP 91 Cb 0.20 0.09 -0.13 0.00 0.18 0.00 0.00 39.33 39.67 1ayp h ASP 91 CO -0.00 -0.20 -0.18 0.50 -3.12 0.00 0.00 179.24 176.23 1ayp h LYS 92 N -0.48 -0.02 -0.43 3.56 3.64 -0.07 -0.18 116.57 122.60 1ayp h LYS 92 Ca -0.04 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 1ayp h LYS 92 Cb 0.36 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1ayp h LYS 92 CO 0.07 -0.01 -0.21 0.00 -2.27 0.00 0.00 179.45 177.03 1ayp h ALA 93 N 1.59 0.82 0.30 5.00 0.00 -0.86 -1.26 119.26 124.85 1ayp h ALA 93 Ca 0.31 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1ayp h ALA 93 Cb 0.50 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ayp h ALA 93 CO -0.68 0.65 -0.15 0.00 0.00 0.00 0.00 179.25 179.07 1ayp h ALA 94 N 1.01 -0.41 -0.90 0.00 0.00 -0.56 -2.64 119.26 115.76 1ayp h ALA 94 Ca 0.10 -0.16 0.25 0.00 0.00 0.00 0.00 54.91 55.11 1ayp h ALA 94 Cb 0.75 0.16 -0.15 0.00 0.00 0.00 0.00 17.79 18.54 1ayp h ALA 94 CO 0.06 -0.62 0.20 0.00 0.00 0.00 0.00 179.25 178.88 1ayp h ALA 95 N -0.00 1.28 -0.00 0.00 0.00 -1.09 0.63 119.26 120.07 1ayp h ALA 95 Ca -0.04 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ayp h ALA 95 Cb 0.45 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ayp h ALA 95 CO 0.07 -0.52 -0.01 0.25 0.00 0.00 0.00 179.25 179.04 1ayp n THR 96 N -5.29 0.00 -0.12 0.00 -2.24 -0.48 -2.42 114.28 103.72 1ayp n THR 96 Ca 0.22 -0.04 -0.24 0.00 -2.27 0.00 0.00 64.05 61.73 1ayp n THR 96 Cb 0.73 -0.35 -0.11 0.00 -2.10 0.00 0.00 70.33 68.50 1ayp n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ayp h PHE 98 N -0.55 -0.36 -0.17 0.00 0.04 -1.06 0.15 116.94 115.00 1ayp h PHE 98 Ca -0.61 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.22 1ayp h PHE 98 Cb 1.73 0.20 -0.03 0.00 2.20 0.00 0.00 35.95 40.05 1ayp h PHE 98 CO -0.02 -0.22 -0.02 0.00 -0.60 0.00 0.00 178.31 177.46 1ayp h ALA 99 N 1.10 0.13 0.00 2.45 0.00 -1.62 0.12 119.26 121.43 1ayp h ALA 99 Ca 0.15 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ayp h ALA 99 Cb 0.33 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ayp h ALA 99 CO -0.35 -0.46 0.00 0.00 0.00 0.00 0.00 179.25 178.44 1ayp h ARG 100 N 0.03 0.00 -0.18 0.00 3.08 -1.17 0.07 114.38 116.20 1ayp h ARG 100 Ca 0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1ayp h ARG 100 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1ayp h ARG 100 CO -0.15 0.00 -0.02 0.09 -1.07 0.00 0.00 179.97 178.82 1ayp n ASN 101 N -3.05 3.23 0.23 7.04 3.02 0.26 -4.64 115.26 121.35 1ayp n ASN 101 Ca -0.03 -3.13 0.17 0.00 -0.03 0.00 0.00 54.58 51.56 1ayp n ASN 101 Cb 0.09 -0.52 0.76 0.00 -0.61 0.00 0.00 39.78 39.51 1ayp n ASN 101 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1ayp h LYS 102 N 1.15 0.00 -0.13 3.52 3.64 0.54 0.21 116.57 125.50 1ayp h LYS 102 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1ayp h LYS 102 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1ayp h LYS 102 CO 0.16 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.59 1ayp n THR 103 N -3.22 0.15 0.03 1.00 -2.24 -1.26 -3.30 114.28 105.44 1ayp n THR 103 Ca 0.02 -0.51 0.11 0.00 -2.27 0.00 0.00 64.05 61.41 1ayp n THR 103 Cb 0.51 1.09 -0.14 0.00 -2.10 0.00 0.00 70.33 69.69 1ayp n THR 103 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ayp n THR 104 N 1.09 0.11 -1.50 4.28 -1.04 0.68 -5.01 114.28 112.89 1ayp n THR 104 Ca 0.16 -0.50 -0.55 0.00 -2.04 0.00 0.00 64.05 61.13 1ayp n THR 104 Cb 0.54 -0.04 -0.06 0.00 -1.82 0.00 0.00 70.33 68.94 1ayp n THR 104 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ayp n TYR 105 N -2.32 0.58 -3.76 -1.42 4.19 -0.81 -4.87 117.16 108.76 1ayp n TYR 105 Ca -0.03 0.95 -0.24 0.00 3.31 0.00 0.00 57.90 61.89 1ayp n TYR 105 Cb 0.56 -2.11 -0.17 0.00 0.49 0.00 0.00 39.34 38.11 1ayp n TYR 105 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1ayp s ASN 106 N -0.16 1.87 0.57 2.98 3.84 -1.26 -5.07 114.94 117.72 1ayp s ASN 106 Ca 0.83 -0.25 0.31 0.00 0.21 0.00 0.00 52.86 53.96 1ayp s ASN 106 Cb -1.12 -0.46 1.71 0.00 -0.55 0.00 0.00 41.25 40.83 1ayp s ASN 106 CO 0.55 -0.22 2.17 0.50 -2.79 0.00 0.00 177.10 177.31 1ayp h LYS 107 N 8.32 0.00 0.00 0.43 3.64 -2.00 -1.31 116.57 125.64 1ayp h LYS 107 Ca -0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1ayp h LYS 107 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1ayp h LYS 107 CO 0.27 0.06 0.00 1.57 -2.27 0.00 0.00 179.45 179.08 1ayp h LYS 108 N 0.00 0.00 0.00 1.90 2.10 -2.02 -1.25 116.57 117.30 1ayp h LYS 108 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ayp h LYS 108 Cb 0.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 1ayp h LYS 108 CO 0.01 0.00 -0.80 0.66 -2.00 0.00 0.00 179.45 177.31 1ayp n TYR 109 N -2.93 0.14 -0.23 0.07 4.01 -0.50 -3.94 117.16 113.77 1ayp n TYR 109 Ca 0.00 0.04 0.04 0.00 -0.16 0.00 0.00 57.90 57.82 1ayp n TYR 109 Cb 0.25 -0.30 0.16 0.00 -0.31 0.00 0.00 39.34 39.14 1ayp n TYR 109 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1ayp h GLN 110 N 0.00 0.28 -0.18 -0.72 4.15 -1.19 0.21 115.11 117.66 1ayp h GLN 110 Ca 0.00 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.33 1ayp h GLN 110 Cb 0.60 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.18 1ayp h GLN 110 CO 0.00 0.19 -0.20 0.66 -1.93 0.00 0.00 178.83 177.55 1ayp n TYR 111 N -5.13 0.57 -1.67 3.99 4.01 -1.26 -2.06 117.16 115.60 1ayp n TYR 111 Ca 0.12 -1.41 -0.47 0.00 -0.16 0.00 0.00 57.90 55.99 1ayp n TYR 111 Cb 0.41 -0.35 -0.04 0.00 -0.31 0.00 0.00 39.34 39.05 1ayp n TYR 111 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1ayp n TYR 112 N -1.10 2.29 -1.88 -0.72 9.36 -0.10 -4.83 117.16 120.18 1ayp n TYR 112 Ca 0.25 0.15 -0.43 0.00 3.32 0.00 0.00 57.90 61.19 1ayp n TYR 112 Cb 0.85 -2.60 -0.03 0.00 -0.63 0.00 0.00 39.34 36.94 1ayp n TYR 112 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1ayp s SER 113 N 2.33 6.28 0.00 2.98 1.04 -1.26 -4.49 113.70 120.58 1ayp s SER 113 Ca 0.85 2.08 0.23 0.00 0.48 0.00 0.00 55.95 59.59 1ayp s SER 113 Cb -0.69 -2.53 1.15 0.00 0.10 0.00 0.00 66.02 64.06 1ayp s SER 113 CO 0.44 -1.27 1.76 0.59 0.98 0.00 0.00 173.24 175.74 1ayp n ASN 114 N 8.55 0.00 0.29 7.02 4.13 -1.26 -2.18 115.26 131.82 1ayp n ASN 114 Ca 0.21 0.00 0.16 0.00 1.68 0.00 0.00 54.58 56.63 1ayp n ASN 114 Cb 0.44 -0.30 0.91 0.00 -1.54 0.00 0.00 39.78 39.28 1ayp n ASN 114 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1ayp h LYS 115 N 0.00 0.00 -0.59 3.52 1.79 -1.97 -3.19 116.57 116.14 1ayp h LYS 115 Ca 0.00 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.19 1ayp h LYS 115 Cb 0.23 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 30.72 1ayp h LYS 115 CO 0.00 0.03 0.19 0.72 -1.08 0.00 0.00 179.45 179.31 1ayp n HIS 116 N -3.66 1.83 -3.96 -1.35 8.25 -0.92 -5.00 115.22 110.40 1ayp n HIS 116 Ca -0.03 -1.60 -0.35 0.00 -0.26 0.00 0.00 57.72 55.48 1ayp n HIS 116 Cb 0.13 -0.64 -0.06 0.00 1.12 0.00 0.00 29.99 30.53 1ayp n HIS 116 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ayp s ARG 118 N -1.31 0.66 0.00 0.00 3.52 -1.26 -4.72 118.95 115.84 1ayp s ARG 118 Ca 0.19 -0.38 0.00 0.00 -0.13 0.00 0.00 55.73 55.40 1ayp s ARG 118 Cb -0.12 -0.62 0.00 0.00 -1.56 0.00 0.00 34.95 32.65 1ayp s ARG 118 CO 0.08 0.16 0.00 0.41 -0.81 0.00 0.00 175.30 175.15 1ayp n GLY 119 N 2.63 -1.25 3.48 8.12 0.00 -1.26 -0.89 105.19 116.02 1ayp n GLY 119 Ca -0.15 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.28 1ayp n GLY 119 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ayp s SER 120 N -3.18 6.28 0.08 1.61 0.01 -1.26 -4.04 113.70 113.19 1ayp s SER 120 Ca 0.00 -0.65 -0.34 0.00 1.31 0.00 0.00 55.95 56.26 1ayp s SER 120 Cb 0.00 -2.37 -0.13 0.00 0.21 0.00 0.00 66.02 63.72 1ayp s SER 120 CO 0.00 -1.11 1.65 1.07 0.41 0.00 0.00 173.24 175.26 1ayp n THR 121 N 5.93 0.17 -1.72 1.44 5.66 -1.25 -4.30 114.28 120.22 1ayp n THR 121 Ca -0.02 -0.03 -0.43 0.00 -3.05 0.00 0.00 64.05 60.52 1ayp n THR 121 Cb 0.46 -1.58 -0.03 0.00 -1.55 0.00 0.00 70.33 67.64 1ayp n THR 121 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 1ayp s PRO 122 N 1.83 3.54 0.35 1.09 0.02 -1.26 -4.96 135.00 135.62 1ayp s PRO 122 Ca 0.84 2.13 -0.20 0.00 0.02 0.00 0.00 61.00 63.79 1ayp s PRO 122 Cb -0.71 -4.25 -0.10 0.00 0.02 0.00 0.00 34.50 29.46 1ayp s PRO 122 CO 0.43 -1.63 0.85 0.50 -0.33 0.00 0.00 177.00 176.82 1ayp s ARG 123 N 5.50 4.21 0.00 5.54 6.06 -1.26 -5.03 118.95 133.97 1ayp s ARG 123 Ca 0.92 0.97 0.13 0.00 -2.50 0.00 0.00 55.73 55.24 1ayp s ARG 123 Cb -0.34 -2.44 0.10 0.00 0.06 0.00 0.00 34.95 32.32 1ayp s ARG 123 CO 0.36 0.13 0.90 0.00 -2.50 0.00 0.00 175.30 174.19