#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ivm s VAL 2 N 0.00 1.07 -0.26 3.15 1.01 -1.26 0.02 120.40 124.14 1ivm s VAL 2 Ca 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 1ivm s VAL 2 Cb 0.00 -0.98 0.11 0.00 0.00 0.00 0.00 36.38 35.51 1ivm s VAL 2 CO 0.00 0.34 0.56 -0.31 0.00 0.00 0.00 175.10 175.69 1ivm s TYR 3 N 0.59 -1.10 0.35 5.22 1.51 0.62 -4.94 117.35 119.60 1ivm s TYR 3 Ca -0.13 1.99 0.07 0.00 -1.01 0.00 0.00 57.07 57.99 1ivm s TYR 3 Cb -0.15 0.59 -0.01 0.00 -0.11 0.00 0.00 41.96 42.28 1ivm s TYR 3 CO 0.03 -0.58 0.41 -1.83 -1.11 0.00 0.00 175.55 172.48 1ivm s GLU 4 N 2.65 2.93 0.03 -0.62 -1.05 -1.26 0.26 118.70 121.64 1ivm s GLU 4 Ca -0.05 -1.15 -0.05 0.00 -0.15 0.00 0.00 54.97 53.57 1ivm s GLU 4 Cb -0.11 -2.68 -0.01 0.00 -0.44 0.00 0.00 34.13 30.89 1ivm s GLU 4 CO -0.17 0.03 1.02 2.89 0.95 0.00 0.00 175.26 179.99 1ivm n ARG 5 N -1.56 -0.07 0.00 -4.83 0.00 -1.26 0.91 116.66 109.84 1ivm n ARG 5 Ca 0.00 1.01 0.00 0.00 -0.00 0.00 0.00 57.85 58.87 1ivm n ARG 5 Cb 0.59 -1.51 0.00 0.00 -0.00 0.00 0.00 32.46 31.54 1ivm n ARG 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ivm n GLU 7 N -2.39 -0.11 -0.23 0.00 -0.58 -0.75 0.70 120.64 117.28 1ivm n GLU 7 Ca 0.00 0.88 0.00 0.00 -0.42 0.00 0.00 57.16 57.62 1ivm n GLU 7 Cb 0.00 -1.31 0.07 0.00 -0.57 0.00 0.00 31.44 29.63 1ivm n GLU 7 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1ivm h PHE 8 N 0.00 -0.35 -0.24 -0.32 3.04 0.11 0.46 116.94 119.64 1ivm h PHE 8 Ca 0.04 0.06 0.06 0.00 3.98 0.00 0.00 57.97 62.11 1ivm h PHE 8 Cb 0.10 0.26 -0.07 0.00 2.56 0.00 0.00 35.95 38.80 1ivm h PHE 8 CO -0.73 -0.29 -0.22 0.00 -2.02 0.00 0.00 178.31 175.05 1ivm h ALA 9 N 1.67 -0.10 0.02 2.41 0.00 0.66 1.26 119.26 125.18 1ivm h ALA 9 Ca 0.32 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.32 1ivm h ALA 9 Cb 0.49 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1ivm h ALA 9 CO -0.69 -0.65 -0.08 -0.09 0.00 0.00 0.00 179.25 177.74 1ivm h ARG 10 N -0.23 -0.14 0.26 0.00 2.43 0.20 0.14 114.38 117.04 1ivm h ARG 10 Ca 0.14 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1ivm h ARG 10 Cb 0.44 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 1ivm h ARG 10 CO -0.37 -0.10 -0.26 1.15 -1.51 0.00 0.00 179.97 178.89 1ivm h THR 11 N -0.15 0.45 -0.45 0.20 2.02 0.62 1.03 112.91 116.63 1ivm h THR 11 Ca 0.03 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.30 1ivm h THR 11 Cb 0.18 0.45 -0.09 0.00 -1.74 0.00 0.00 68.15 66.95 1ivm h THR 11 CO -0.07 0.00 -0.12 0.25 0.37 0.00 0.00 175.52 175.95 1ivm h LEU 12 N -0.55 -0.45 -1.51 2.58 5.85 0.17 1.74 115.31 123.15 1ivm h LEU 12 Ca -0.01 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1ivm h LEU 12 Cb 0.50 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1ivm h LEU 12 CO -0.05 -0.16 -0.25 0.50 -0.34 0.00 0.00 178.44 178.13 1ivm h LYS 13 N -0.01 0.00 0.00 1.25 3.11 -0.27 0.56 116.57 121.21 1ivm h LYS 13 Ca 0.22 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 58.01 1ivm h LYS 13 Cb 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.57 1ivm h LYS 13 CO -0.47 0.25 -0.21 -0.09 -2.81 0.00 0.00 179.45 176.12 1ivm h ARG 14 N 0.00 0.00 0.13 1.90 2.43 0.63 -3.26 114.38 116.20 1ivm h ARG 14 Ca -0.00 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.81 1ivm h ARG 14 Cb 0.48 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1ivm h ARG 14 CO 0.03 0.21 -1.91 -0.97 -1.51 0.00 0.00 179.97 175.82 1ivm h ASN 15 N 0.00 0.41 0.00 -3.80 -0.73 0.35 -3.49 115.58 108.32 1ivm h ASN 15 Ca -0.00 -0.85 0.00 0.00 1.87 0.00 0.00 56.30 57.32 1ivm h ASN 15 Cb 1.14 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.59 1ivm h ASN 15 CO 0.03 1.76 0.00 0.61 -0.37 0.00 0.00 177.43 179.45 1ivm n GLY 16 N 1.92 0.86 0.00 1.57 0.00 0.19 -5.04 105.19 104.69 1ivm n GLY 16 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1ivm n GLY 16 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ivm n MET 17 N 0.00 0.40 -1.48 1.61 0.00 -0.50 -4.90 117.12 112.25 1ivm n MET 17 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 57.70 57.18 1ivm n MET 17 Cb 0.00 -0.86 -0.07 0.00 0.00 0.00 0.00 33.22 32.28 1ivm n MET 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1ivm n ALA 18 N -2.14 0.81 -1.99 -5.12 0.00 -1.20 0.87 120.51 111.74 1ivm n ALA 18 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1ivm n ALA 18 Cb 0.36 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.35 1ivm n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ivm n GLY 19 N 6.13 0.64 2.99 0.00 0.00 -1.22 -4.65 105.19 109.09 1ivm n GLY 19 Ca 0.39 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 1ivm n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ivm n TYR 20 N -3.31 -2.39 -0.30 1.61 9.36 0.25 -4.73 117.16 117.65 1ivm n TYR 20 Ca 0.00 -0.01 0.01 0.00 3.32 0.00 0.00 57.90 61.22 1ivm n TYR 20 Cb 0.46 -1.37 0.06 0.00 -0.63 0.00 0.00 39.34 37.86 1ivm n TYR 20 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1ivm n TYR 21 N -4.36 0.11 0.03 2.98 4.01 -1.26 -3.94 117.16 114.74 1ivm n TYR 21 Ca 0.06 0.99 -0.01 0.00 -0.16 0.00 0.00 57.90 58.78 1ivm n TYR 21 Cb 0.32 -0.86 -0.00 0.00 -0.31 0.00 0.00 39.34 38.49 1ivm n TYR 21 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ivm n GLY 22 N -1.43 -0.10 3.68 2.72 0.00 -1.26 -5.01 105.19 103.80 1ivm n GLY 22 Ca 0.10 -0.04 -0.56 0.00 0.00 0.00 0.00 46.02 45.52 1ivm n GLY 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ivm n VAL 23 N -3.59 0.26 -3.35 1.61 0.31 -1.25 -4.91 118.33 107.40 1ivm n VAL 23 Ca -0.02 -0.05 -0.38 0.00 -0.01 0.00 0.00 64.34 63.89 1ivm n VAL 23 Cb 0.10 -1.19 -0.06 0.00 -0.91 0.00 0.00 33.84 31.78 1ivm n VAL 23 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1ivm s SER 24 N 2.89 6.95 0.27 4.52 0.01 -1.26 0.18 113.70 127.26 1ivm s SER 24 Ca 0.95 1.15 -0.06 0.00 1.31 0.00 0.00 55.95 59.29 1ivm s SER 24 Cb -1.01 -2.32 0.48 0.00 0.21 0.00 0.00 66.02 63.38 1ivm s SER 24 CO 0.60 0.24 1.59 0.25 0.41 0.00 0.00 173.24 176.34 1ivm h LEU 25 N 4.32 -0.62 -0.96 2.44 5.85 -1.85 1.70 115.31 126.19 1ivm h LEU 25 Ca -0.50 0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.53 1ivm h LEU 25 Cb 1.21 0.48 -0.06 0.00 0.37 0.00 0.00 40.66 42.66 1ivm h LEU 25 CO 0.64 -0.28 0.62 0.00 -0.34 0.00 0.00 178.44 179.08 1ivm h ALA 26 N 1.86 1.31 -0.41 1.25 0.00 -1.93 0.21 119.26 121.54 1ivm h ALA 26 Ca 0.46 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.26 1ivm h ALA 26 Cb 0.80 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1ivm h ALA 26 CO -0.85 0.42 -0.10 -0.44 0.00 0.00 0.00 179.25 178.29 1ivm h ASP 27 N 1.14 0.71 0.45 0.00 3.32 0.18 0.48 116.42 122.71 1ivm h ASP 27 Ca 0.40 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1ivm h ASP 27 Cb 0.12 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1ivm h ASP 27 CO -0.16 0.84 -0.22 -0.50 -1.72 0.00 0.00 179.24 177.49 1ivm h TRP 28 N 0.67 -0.56 0.57 4.55 -0.00 0.20 0.53 115.95 121.90 1ivm h TRP 28 Ca 0.12 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.89 58.97 1ivm h TRP 28 Cb 0.56 0.19 0.00 0.00 -0.00 0.00 0.00 29.16 29.90 1ivm h TRP 28 CO 0.03 -0.27 -0.32 0.28 -0.00 0.00 0.00 178.44 178.16 1ivm h VAL 29 N -0.78 0.00 -0.92 1.49 2.07 -0.53 0.31 116.25 117.89 1ivm h VAL 29 Ca -0.06 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.72 1ivm h VAL 29 Cb 0.55 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.17 1ivm h VAL 29 CO 0.10 0.00 0.33 0.00 0.02 0.00 0.00 177.57 178.02 1ivm h LEU 31 N 0.24 -0.72 -2.32 0.00 5.85 0.61 0.33 115.31 119.30 1ivm h LEU 31 Ca 0.61 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.37 1ivm h LEU 31 Cb 1.28 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.53 1ivm h LEU 31 CO -0.65 -0.44 0.00 0.00 -0.34 0.00 0.00 178.44 177.01 1ivm h ALA 32 N -0.18 1.00 0.19 1.25 0.00 0.36 -1.44 119.26 120.44 1ivm h ALA 32 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ivm h ALA 32 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ivm h ALA 32 CO 0.03 0.00 -0.09 0.37 0.00 0.00 0.00 179.25 179.56 1ivm h GLN 33 N 0.00 -0.24 0.00 0.00 -0.00 0.36 0.38 115.11 115.61 1ivm h GLN 33 Ca 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1ivm h GLN 33 Cb 0.21 0.05 -0.00 0.00 0.00 0.00 0.00 27.48 27.74 1ivm h GLN 33 CO 0.00 0.10 -0.02 1.25 0.00 0.00 0.00 178.83 180.16 1ivm h HIS 34 N -0.96 0.00 0.14 3.99 2.76 -0.12 -2.97 115.15 117.99 1ivm h HIS 34 Ca -0.03 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1ivm h HIS 34 Cb 0.46 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.42 1ivm h HIS 34 CO 0.07 0.02 -0.07 0.93 -1.30 0.00 0.00 177.93 177.58 1ivm h GLU 35 N 0.00 -0.18 0.00 5.26 4.39 -1.27 -3.48 114.58 119.30 1ivm h GLU 35 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1ivm h GLU 35 Cb 0.05 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1ivm h GLU 35 CO 0.00 -0.12 0.00 0.43 -1.16 0.00 0.00 179.01 178.16 1ivm n SER 36 N -3.80 0.00 -3.79 1.42 7.64 -0.24 -4.93 113.62 109.92 1ivm n SER 36 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1ivm n SER 36 Cb 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1ivm n SER 36 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ivm n ASN 37 N 0.00 0.00 0.00 6.43 5.15 0.12 -4.04 115.26 122.92 1ivm n ASN 37 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1ivm n ASN 37 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1ivm n ASN 37 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1ivm n TYR 38 N -0.42 0.00 -4.21 1.20 4.01 0.73 -4.57 117.16 113.90 1ivm n TYR 38 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 1ivm n TYR 38 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 38.91 1ivm n TYR 38 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1ivm s ASN 39 N 0.00 1.94 -0.77 7.72 -0.87 -1.26 0.23 114.94 121.93 1ivm s ASN 39 Ca 0.00 -0.65 -0.01 0.00 -1.57 0.00 0.00 52.86 50.63 1ivm s ASN 39 Cb 0.00 -0.08 0.37 0.00 -0.02 0.00 0.00 41.25 41.52 1ivm s ASN 39 CO 0.00 -0.05 1.88 0.35 -2.57 0.00 0.00 177.10 176.71 1ivm n THR 40 N 1.16 3.40 0.23 1.60 -2.24 0.10 -4.51 114.28 114.03 1ivm n THR 40 Ca -0.20 -4.30 0.12 0.00 -2.27 0.00 0.00 64.05 57.40 1ivm n THR 40 Cb 0.54 -1.24 0.06 0.00 -2.10 0.00 0.00 70.33 67.59 1ivm n THR 40 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1ivm h ARG 41 N 2.85 0.00 -5.14 -0.78 2.43 -1.85 -3.42 114.38 108.47 1ivm h ARG 41 Ca 0.53 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 59.16 1ivm h ARG 41 Cb 0.24 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.71 1ivm h ARG 41 CO 1.35 0.00 1.70 0.00 -1.51 0.00 0.00 179.97 181.51 1ivm n ALA 42 N -2.08 0.29 -3.33 2.80 0.00 -1.26 -4.84 120.51 112.08 1ivm n ALA 42 Ca 0.01 -0.22 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 1ivm n ALA 42 Cb 0.52 -2.25 -0.14 0.00 0.00 0.00 0.00 19.45 17.58 1ivm n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ivm s THR 43 N 8.62 -0.02 -0.34 0.00 -4.23 -1.26 0.28 115.64 118.68 1ivm s THR 43 Ca 1.34 0.08 0.03 0.00 -1.18 0.00 0.00 61.69 61.96 1ivm s THR 43 Cb -1.28 -0.20 0.16 0.00 1.34 0.00 0.00 72.50 72.51 1ivm s THR 43 CO 0.51 0.03 0.41 0.21 -0.54 0.00 0.00 174.62 175.24 1ivm s ASN 44 N 0.55 0.66 0.39 3.99 3.84 0.58 -4.93 114.94 120.03 1ivm s ASN 44 Ca -0.04 -1.04 -0.05 0.00 0.21 0.00 0.00 52.86 51.95 1ivm s ASN 44 Cb -0.06 0.89 -0.04 0.00 -0.55 0.00 0.00 41.25 41.49 1ivm s ASN 44 CO -0.02 -0.29 0.67 -0.72 -2.79 0.00 0.00 177.10 173.95 1ivm s TYR 45 N 1.92 3.51 -0.29 0.43 -0.85 -1.26 0.11 117.35 120.92 1ivm s TYR 45 Ca 0.14 0.70 0.03 0.00 -0.52 0.00 0.00 57.07 57.41 1ivm s TYR 45 Cb -0.13 -2.18 0.20 0.00 0.38 0.00 0.00 41.96 40.22 1ivm s TYR 45 CO -0.15 -0.05 0.62 -0.80 -1.52 0.00 0.00 175.55 173.65 1ivm s ASN 46 N -3.71 -1.48 0.17 -0.18 0.01 0.14 -4.92 114.94 104.97 1ivm s ASN 46 Ca 0.45 0.42 0.06 0.00 -0.71 0.00 0.00 52.86 53.09 1ivm s ASN 46 Cb -0.10 2.04 0.01 0.00 0.41 0.00 0.00 41.25 43.60 1ivm s ASN 46 CO 0.37 -0.27 1.40 -0.09 -1.51 0.00 0.00 177.10 177.00 1ivm h ARG 47 N 7.97 0.07 -0.96 -0.60 9.65 -1.94 0.48 114.38 129.04 1ivm h ARG 47 Ca -0.09 -0.08 0.34 0.00 -1.10 0.00 0.00 59.98 59.05 1ivm h ARG 47 Cb 1.18 0.02 -0.10 0.00 -1.39 0.00 0.00 29.97 29.68 1ivm h ARG 47 CO 0.17 0.89 0.62 0.41 2.80 0.00 0.00 179.97 184.85 1ivm n GLY 48 N 0.90 -0.59 2.11 2.80 0.00 -1.26 0.16 105.19 109.32 1ivm n GLY 48 Ca -0.02 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1ivm n GLY 48 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ivm n ASP 49 N -4.11 1.63 -4.00 1.61 -0.08 -1.24 -4.99 116.55 105.38 1ivm n ASP 49 Ca 0.28 -2.27 -0.26 0.00 -1.51 0.00 0.00 54.79 51.03 1ivm n ASP 49 Cb 1.10 -0.40 -0.08 0.00 2.34 0.00 0.00 41.12 44.08 1ivm n ASP 49 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1ivm n GLN 50 N -0.22 -0.94 -4.19 -0.67 -0.06 0.42 -4.90 117.38 106.82 1ivm n GLN 50 Ca 0.10 0.07 -0.17 0.00 -2.00 0.00 0.00 57.00 55.01 1ivm n GLN 50 Cb 0.94 -2.93 -0.12 0.00 -4.06 0.00 0.00 30.24 24.07 1ivm n GLN 50 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1ivm s SER 51 N -4.14 1.26 0.12 1.69 1.04 0.17 -4.70 113.70 109.15 1ivm s SER 51 Ca 0.01 -0.48 -0.02 0.00 0.48 0.00 0.00 55.95 55.93 1ivm s SER 51 Cb -0.00 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 1ivm s SER 51 CO 0.82 -0.07 0.07 -0.89 0.98 0.00 0.00 173.24 174.16 1ivm s THR 52 N -1.05 0.11 -0.24 2.02 2.01 -1.26 0.24 115.64 117.48 1ivm s THR 52 Ca -0.03 -1.83 -0.02 0.00 0.31 0.00 0.00 61.69 60.11 1ivm s THR 52 Cb -0.08 -1.95 0.13 0.00 0.01 0.00 0.00 72.50 70.60 1ivm s THR 52 CO 0.01 -0.51 0.34 -0.62 -0.69 0.00 0.00 174.62 173.16 1ivm s ASP 53 N -3.02 0.58 0.23 3.53 -1.08 0.31 0.18 116.67 117.40 1ivm s ASP 53 Ca 0.21 0.02 -0.11 0.00 -0.52 0.00 0.00 52.55 52.16 1ivm s ASP 53 Cb 0.07 0.92 -0.01 0.00 -1.46 0.00 0.00 42.92 42.44 1ivm s ASP 53 CO 0.00 -0.32 0.42 -0.72 0.52 0.00 0.00 175.17 175.08 1ivm s TYR 54 N 2.49 0.46 0.00 -5.34 -0.85 0.15 0.22 117.35 114.47 1ivm s TYR 54 Ca 0.11 -0.81 0.00 0.00 -0.52 0.00 0.00 57.07 55.85 1ivm s TYR 54 Cb -0.15 0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.27 1ivm s TYR 54 CO -0.17 -0.93 0.00 0.41 -1.52 0.00 0.00 175.55 173.34 1ivm n GLY 55 N -0.36 2.54 0.42 5.49 0.00 0.14 0.10 105.19 113.53 1ivm n GLY 55 Ca -0.02 -2.01 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 1ivm n GLY 55 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ivm h ILE 56 N 0.00 0.00 -0.33 -0.61 1.08 -1.86 1.42 117.51 117.21 1ivm h ILE 56 Ca 0.00 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.39 1ivm h ILE 56 Cb 0.00 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.70 1ivm h ILE 56 CO 0.00 0.00 0.10 0.49 -0.69 0.00 0.00 178.15 178.05 1ivm n PHE 57 N -5.23 1.11 -3.56 1.37 3.72 -1.26 -3.82 117.46 109.79 1ivm n PHE 57 Ca 0.01 -0.59 -0.36 0.00 -0.05 0.00 0.00 57.45 56.46 1ivm n PHE 57 Cb 0.27 -0.38 0.03 0.00 -0.94 0.00 0.00 39.48 38.46 1ivm n PHE 57 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1ivm n GLN 58 N 0.11 -1.86 -3.31 -1.08 7.27 0.48 -4.91 117.38 114.09 1ivm n GLN 58 Ca 0.18 1.29 -0.34 0.00 0.07 0.00 0.00 57.00 58.20 1ivm n GLN 58 Cb 0.80 -2.16 -0.06 0.00 2.41 0.00 0.00 30.24 31.24 1ivm n GLN 58 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1ivm s ILE 59 N -1.82 4.82 0.12 1.69 1.01 0.29 -4.57 121.20 122.74 1ivm s ILE 59 Ca 0.30 0.79 -0.30 0.00 0.00 0.00 0.00 60.65 61.44 1ivm s ILE 59 Cb -0.03 -3.69 -0.06 0.00 0.01 0.00 0.00 42.46 38.68 1ivm s ILE 59 CO 0.88 0.08 0.94 0.20 0.00 0.00 0.00 174.94 177.04 1ivm s ASN 60 N -1.99 7.49 0.00 3.58 -0.87 -1.26 0.30 114.94 122.19 1ivm s ASN 60 Ca 0.44 1.78 0.25 0.00 -1.57 0.00 0.00 52.86 53.75 1ivm s ASN 60 Cb -0.13 -2.58 0.76 0.00 -0.02 0.00 0.00 41.25 39.28 1ivm s ASN 60 CO 0.20 -0.04 1.57 -1.20 -2.57 0.00 0.00 177.10 175.06 1ivm n SER 61 N 2.67 1.99 0.04 -1.22 7.64 0.48 -1.89 113.62 123.33 1ivm n SER 61 Ca 0.01 -1.69 -0.22 0.00 1.01 0.00 0.00 58.87 57.98 1ivm n SER 61 Cb 0.49 -0.05 -0.14 0.00 -1.01 0.00 0.00 64.21 63.49 1ivm n SER 61 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1ivm h ARG 62 N 2.91 0.33 0.00 1.43 9.65 -1.84 -3.42 114.38 123.44 1ivm h ARG 62 Ca 0.00 -0.56 -0.38 0.00 -1.10 0.00 0.00 59.98 57.94 1ivm h ARG 62 Cb 0.63 0.21 -0.06 0.00 -1.39 0.00 0.00 29.97 29.35 1ivm h ARG 62 CO 0.00 1.27 -2.33 0.98 2.80 0.00 0.00 179.97 182.68 1ivm n TYR 63 N -3.53 0.00 -3.74 2.20 9.36 -1.25 -2.79 117.16 117.40 1ivm n TYR 63 Ca -0.29 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 60.70 1ivm n TYR 63 Cb 1.06 -0.87 -0.02 0.00 -0.63 0.00 0.00 39.34 38.88 1ivm n TYR 63 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1ivm s TRP 64 N -2.45 3.48 0.55 2.98 0.51 -0.79 -0.15 118.94 123.07 1ivm s TRP 64 Ca -0.33 0.18 0.00 0.00 -2.12 0.00 0.00 56.10 53.84 1ivm s TRP 64 Cb 0.11 -1.74 0.00 0.00 -0.81 0.00 0.00 33.47 31.03 1ivm s TRP 64 CO 0.46 0.35 0.00 0.00 -0.51 0.00 0.00 176.95 177.25 1ivm n ASN 66 N -2.07 0.00 0.00 0.00 5.15 -0.77 -3.48 115.26 114.09 1ivm n ASN 66 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1ivm n ASN 66 Cb 0.33 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.58 1ivm n ASN 66 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1ivm n ASP 67 N 0.00 0.00 0.00 1.20 -0.08 -1.26 -4.57 116.55 111.84 1ivm n ASP 67 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1ivm n ASP 67 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1ivm n ASP 67 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ivm n GLY 68 N 0.00 1.04 1.10 0.27 0.00 -1.26 -4.46 105.19 101.87 1ivm n GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ivm n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ivm n LYS 69 N -2.00 0.00 -3.60 1.61 5.02 -1.26 -5.01 118.16 112.91 1ivm n LYS 69 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 1ivm n LYS 69 Cb 0.00 -0.30 -0.10 0.00 -0.02 0.00 0.00 35.03 34.61 1ivm n LYS 69 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ivm s THR 70 N -1.71 4.15 -1.22 -0.18 2.01 -1.26 -4.98 115.64 112.46 1ivm s THR 70 Ca 0.00 -1.54 -0.08 0.00 0.31 0.00 0.00 61.69 60.38 1ivm s THR 70 Cb 0.00 -3.61 -0.07 0.00 0.01 0.00 0.00 72.50 68.83 1ivm s THR 70 CO 0.00 -0.59 2.47 -0.81 -0.69 0.00 0.00 174.62 175.01 1ivm n PRO 71 N 4.89 2.77 0.04 4.92 -0.04 -1.26 -3.87 135.00 142.46 1ivm n PRO 71 Ca -0.09 -1.77 0.00 0.00 -0.04 0.00 0.00 63.50 61.60 1ivm n PRO 71 Cb 0.42 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 1ivm n PRO 71 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ivm n ARG 72 N 3.95 0.00 -1.41 0.54 5.12 -1.26 -5.05 116.66 118.55 1ivm n ARG 72 Ca 0.59 0.00 -0.49 0.00 -1.93 0.00 0.00 57.85 56.02 1ivm n ARG 72 Cb 0.17 -0.47 -0.04 0.00 -1.16 0.00 0.00 32.46 30.97 1ivm n ARG 72 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ivm n ALA 73 N -3.40 -2.96 -1.83 7.54 0.00 -1.25 -4.77 120.51 113.84 1ivm n ALA 73 Ca 0.00 0.46 -0.36 0.00 0.00 0.00 0.00 53.44 53.54 1ivm n ALA 73 Cb 0.09 -1.62 -0.02 0.00 0.00 0.00 0.00 19.45 17.90 1ivm n ALA 73 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1ivm n VAL 74 N 0.18 4.66 -1.42 0.00 3.14 -1.12 -4.81 118.33 118.95 1ivm n VAL 74 Ca 0.18 -3.88 -0.33 0.00 -2.96 0.00 0.00 64.34 57.35 1ivm n VAL 74 Cb 0.23 -1.94 -0.17 0.00 -1.06 0.00 0.00 33.84 30.90 1ivm n VAL 74 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1ivm n ASN 75 N 1.51 -0.26 0.11 6.55 6.94 -1.18 -4.45 115.26 124.48 1ivm n ASN 75 Ca 0.59 -0.05 0.12 0.00 -0.02 0.00 0.00 54.58 55.22 1ivm n ASN 75 Cb 0.34 -0.75 0.20 0.00 -2.36 0.00 0.00 39.78 37.20 1ivm n ASN 75 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ivm h ALA 76 N 11.08 0.75 0.03 -2.53 0.00 -0.81 -3.25 119.26 124.53 1ivm h ALA 76 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 1ivm h ALA 76 Cb 1.19 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1ivm h ALA 76 CO 1.39 0.00 -1.78 0.00 0.00 0.00 0.00 179.25 178.86 1ivm n GLY 78 N 1.66 0.20 3.25 0.00 0.00 -1.23 -4.95 105.19 104.13 1ivm n GLY 78 Ca -0.20 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 1ivm n GLY 78 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ivm s ILE 79 N -3.10 0.10 -0.03 -0.61 -0.00 -1.26 -5.04 121.20 111.26 1ivm s ILE 79 Ca 0.12 -0.83 -0.30 0.00 -0.00 0.00 0.00 60.65 59.64 1ivm s ILE 79 Cb -0.02 -1.16 -0.05 0.00 -0.00 0.00 0.00 42.46 41.24 1ivm s ILE 79 CO 0.22 -0.46 1.42 0.20 -0.00 0.00 0.00 174.94 176.32 1ivm s ASN 80 N -2.59 6.84 0.21 4.36 0.01 -1.26 -1.85 114.94 120.67 1ivm s ASN 80 Ca 0.01 2.08 -0.11 0.00 -0.71 0.00 0.00 52.86 54.13 1ivm s ASN 80 Cb 0.02 -2.55 0.29 0.00 0.41 0.00 0.00 41.25 39.41 1ivm s ASN 80 CO -0.09 -0.75 1.66 0.00 -1.51 0.00 0.00 177.10 176.41 1ivm h SER 82 N 0.11 0.00 0.24 0.00 0.87 -1.90 0.83 113.55 113.69 1ivm h SER 82 Ca 0.32 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 1ivm h SER 82 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1ivm h SER 82 CO -0.53 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 175.77 1ivm n ALA 83 N -2.29 1.28 -0.19 6.23 0.00 0.48 0.18 120.51 126.20 1ivm n ALA 83 Ca 0.04 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.65 1ivm n ALA 83 Cb 0.49 -1.21 0.30 0.00 0.00 0.00 0.00 19.45 19.03 1ivm n ALA 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ivm n LEU 84 N -1.86 3.72 -1.04 0.00 4.77 0.29 -3.95 117.00 118.93 1ivm n LEU 84 Ca 0.01 -1.86 0.02 0.00 -0.03 0.00 0.00 56.01 54.14 1ivm n LEU 84 Cb 0.09 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 40.72 1ivm n LEU 84 CO 0.09 0.89 0.16 -0.11 -1.33 0.00 0.00 177.39 177.09 1ivm n LEU 85 N 1.43 0.45 0.00 2.23 -0.00 0.13 -4.22 117.00 117.02 1ivm n LEU 85 Ca 0.23 -1.56 0.00 0.00 -0.00 0.00 0.00 56.01 54.67 1ivm n LEU 85 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1ivm n LEU 85 CO 0.16 0.48 0.00 0.00 -0.00 0.00 0.00 177.39 178.03 1ivm n GLN 86 N 0.25 1.89 0.00 1.96 10.64 -1.01 -4.96 117.38 126.16 1ivm n GLN 86 Ca 0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 1ivm n GLN 86 Cb 0.92 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.30 1ivm n GLN 86 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1ivm n ASP 87 N -1.36 0.00 -4.71 2.61 2.03 -1.26 -3.46 116.55 110.39 1ivm n ASP 87 Ca 0.00 0.25 -0.42 0.00 0.52 0.00 0.00 54.79 55.14 1ivm n ASP 87 Cb 0.00 -0.42 -0.03 0.00 -0.72 0.00 0.00 41.12 39.95 1ivm n ASP 87 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ivm n ASP 88 N -2.01 4.04 -0.16 1.67 9.92 -1.26 -4.03 116.55 124.72 1ivm n ASP 88 Ca 0.00 1.04 0.10 0.00 -0.53 0.00 0.00 54.79 55.41 1ivm n ASP 88 Cb 0.00 -1.57 0.54 0.00 -0.64 0.00 0.00 41.12 39.45 1ivm n ASP 88 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1ivm n ILE 89 N 4.14 0.05 -0.40 0.53 -5.35 -1.26 -4.04 119.36 113.03 1ivm n ILE 89 Ca 0.16 -0.10 0.33 0.00 -0.27 0.00 0.00 62.75 62.87 1ivm n ILE 89 Cb 0.36 -0.10 0.60 0.00 -1.74 0.00 0.00 39.64 38.76 1ivm n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ivm h THR 90 N 0.68 0.18 -0.16 7.28 1.03 -1.94 1.72 112.91 121.69 1ivm h THR 90 Ca 0.00 -0.05 -0.19 0.00 -0.01 0.00 0.00 66.41 66.16 1ivm h THR 90 Cb 0.15 0.02 0.01 0.00 -1.07 0.00 0.00 68.15 67.26 1ivm h THR 90 CO 0.00 0.03 -0.65 0.00 -0.01 0.00 0.00 175.52 174.89 1ivm h ALA 91 N 1.68 0.30 -0.50 0.00 0.00 -1.84 0.13 119.26 119.02 1ivm h ALA 91 Ca 0.79 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1ivm h ALA 91 Cb 2.30 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 20.04 1ivm h ALA 91 CO -0.47 0.58 0.19 0.00 0.00 0.00 0.00 179.25 179.55 1ivm h ALA 92 N 0.55 1.40 0.11 0.00 0.00 0.21 0.42 119.26 121.95 1ivm h ALA 92 Ca -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ivm h ALA 92 Cb 1.28 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ivm h ALA 92 CO 0.14 0.46 -0.05 0.82 0.00 0.00 0.00 179.25 180.61 1ivm h ILE 93 N 0.72 0.98 -0.77 0.00 2.04 0.01 0.25 117.51 120.73 1ivm h ILE 93 Ca 0.17 -1.29 0.11 0.00 1.00 0.00 0.00 64.86 64.85 1ivm h ILE 93 Cb 0.16 1.68 -0.08 0.00 -0.74 0.00 0.00 36.82 37.84 1ivm h ILE 93 CO -0.02 0.27 0.40 -0.61 0.00 0.00 0.00 178.15 178.19 1ivm h GLN 94 N -0.85 0.62 0.20 2.37 5.75 -0.55 0.20 115.11 122.84 1ivm h GLN 94 Ca -0.02 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1ivm h GLN 94 Cb 0.56 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.97 1ivm h GLN 94 CO 0.03 0.41 -0.10 0.00 -2.65 0.00 0.00 178.83 176.52 1ivm h ALA 96 N -0.10 0.92 -0.22 0.00 0.00 0.17 1.68 119.26 121.71 1ivm h ALA 96 Ca -0.03 0.29 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 1ivm h ALA 96 Cb 0.50 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1ivm h ALA 96 CO 0.05 -0.47 -0.35 1.57 0.00 0.00 0.00 179.25 180.05 1ivm h LYS 97 N 0.07 0.63 0.00 0.00 2.10 -0.57 0.13 116.57 118.93 1ivm h LYS 97 Ca 0.49 -0.38 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1ivm h LYS 97 Cb 0.91 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1ivm h LYS 97 CO -0.79 0.99 0.00 -0.09 -2.00 0.00 0.00 179.45 177.57 1ivm h ARG 98 N 0.33 0.00 0.00 0.07 9.65 0.42 0.35 114.38 125.20 1ivm h ARG 98 Ca 0.02 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.79 1ivm h ARG 98 Cb 0.94 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.50 1ivm h ARG 98 CO 0.08 0.00 -0.93 0.28 2.80 0.00 0.00 179.97 182.20 1ivm n VAL 99 N -2.76 1.47 0.03 0.20 0.31 0.51 -4.19 118.33 113.90 1ivm n VAL 99 Ca -0.01 0.09 0.14 0.00 -0.01 0.00 0.00 64.34 64.54 1ivm n VAL 99 Cb 0.13 -2.24 0.59 0.00 -0.91 0.00 0.00 33.84 31.41 1ivm n VAL 99 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 1ivm h VAL 100 N -1.00 0.87 -0.34 2.52 3.04 -0.56 0.19 116.25 120.98 1ivm h VAL 100 Ca -0.16 -0.06 0.10 0.00 -1.01 0.00 0.00 66.70 65.56 1ivm h VAL 100 Cb 0.89 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 30.83 1ivm h VAL 100 CO -0.10 0.03 0.41 0.08 -1.01 0.00 0.00 177.57 176.98 1ivm h ARG 101 N 0.18 0.00 -7.59 4.17 -0.00 -0.47 -3.34 114.38 107.34 1ivm h ARG 101 Ca 0.20 0.00 -0.43 0.00 -0.00 0.00 0.00 59.98 59.75 1ivm h ARG 101 Cb 0.56 0.00 0.18 0.00 -0.00 0.00 0.00 29.97 30.71 1ivm h ARG 101 CO -0.03 0.00 0.26 -0.51 -0.00 0.00 0.00 179.97 179.69 1ivm s ASP 102 N -5.21 1.87 0.00 0.08 1.11 0.67 -4.90 116.67 110.29 1ivm s ASP 102 Ca -0.04 0.46 0.19 0.00 0.18 0.00 0.00 52.55 53.34 1ivm s ASP 102 Cb 0.15 -0.61 1.11 0.00 1.07 0.00 0.00 42.92 44.63 1ivm s ASP 102 CO 0.51 -3.52 1.56 -0.81 1.18 0.00 0.00 175.17 174.09 1ivm n PRO 103 N -4.33 0.75 0.21 8.23 -0.04 -1.26 -3.61 135.00 134.95 1ivm n PRO 103 Ca 0.14 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.51 1ivm n PRO 103 Cb 0.59 -1.39 -0.04 0.00 -0.04 0.00 0.00 33.50 32.63 1ivm n PRO 103 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1ivm h GLN 104 N 0.00 -0.56 -0.75 0.54 1.08 -1.82 -3.50 115.11 110.09 1ivm h GLN 104 Ca 0.00 0.04 0.08 0.00 -1.45 0.00 0.00 58.65 57.32 1ivm h GLN 104 Cb 0.00 0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.52 1ivm h GLN 104 CO 0.00 -0.38 -0.25 0.41 -0.95 0.00 0.00 178.83 177.67 1ivm n GLY 105 N -0.03 -2.54 0.54 3.46 0.00 -1.24 -4.05 105.19 101.34 1ivm n GLY 105 Ca -0.07 -1.38 0.36 0.00 0.00 0.00 0.00 46.02 44.93 1ivm n GLY 105 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ivm h ILE 106 N -0.30 0.38 -1.59 -0.61 1.08 -1.95 0.34 117.51 114.86 1ivm h ILE 106 Ca -0.03 -0.00 0.47 0.00 -0.39 0.00 0.00 64.86 64.91 1ivm h ILE 106 Cb 0.30 0.38 -0.09 0.00 -3.07 0.00 0.00 36.82 34.34 1ivm h ILE 106 CO 0.01 0.00 1.11 -0.09 -0.69 0.00 0.00 178.15 178.50 1ivm h ARG 107 N 0.00 0.03 -1.00 2.37 9.65 -1.99 1.59 114.38 125.04 1ivm h ARG 107 Ca 0.59 -0.00 0.27 0.00 -1.10 0.00 0.00 59.98 59.74 1ivm h ARG 107 Cb 2.35 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 30.86 1ivm h ARG 107 CO -0.01 0.02 0.69 0.00 2.80 0.00 0.00 179.97 183.48 1ivm h ALA 108 N 1.28 2.69 -1.78 2.80 0.00 -0.46 -1.23 119.26 122.56 1ivm h ALA 108 Ca 0.81 -0.01 -0.78 0.00 0.00 0.00 0.00 54.91 54.93 1ivm h ALA 108 Cb 3.03 0.05 -0.30 0.00 0.00 0.00 0.00 17.79 20.58 1ivm h ALA 108 CO -0.13 -1.00 0.66 0.91 0.00 0.00 0.00 179.25 179.70 1ivm n TRP 109 N -4.36 2.58 -0.11 0.00 8.01 0.54 -4.80 117.44 119.30 1ivm n TRP 109 Ca 0.22 -2.78 0.27 0.00 -1.31 0.00 0.00 57.50 53.89 1ivm n TRP 109 Cb 0.97 -1.14 0.61 0.00 -2.01 0.00 0.00 31.31 29.74 1ivm n TRP 109 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.69 176.44 1ivm h VAL 110 N 3.05 0.17 -0.76 -0.99 3.04 -1.39 0.46 116.25 119.84 1ivm h VAL 110 Ca 0.29 0.00 0.17 0.00 -1.01 0.00 0.00 66.70 66.15 1ivm h VAL 110 Cb 0.53 0.30 -0.12 0.00 -2.01 0.00 0.00 31.29 29.99 1ivm h VAL 110 CO 1.23 0.00 0.12 0.00 -1.01 0.00 0.00 177.57 177.91 1ivm h ALA 111 N 1.01 0.93 -0.35 3.17 0.00 -1.87 1.63 119.26 123.79 1ivm h ALA 111 Ca 0.39 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.50 1ivm h ALA 111 Cb 2.16 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 20.24 1ivm h ALA 111 CO -0.00 -0.39 0.21 2.35 0.00 0.00 0.00 179.25 181.41 1ivm h TRP 112 N 0.20 0.45 0.00 0.00 7.01 -0.42 0.32 115.95 123.51 1ivm h TRP 112 Ca 0.43 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.44 1ivm h TRP 112 Cb 0.77 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.68 1ivm h TRP 112 CO -0.32 0.31 0.00 -2.13 -2.79 0.00 0.00 178.44 173.51 1ivm n ARG 113 N -4.46 0.17 -1.33 2.65 0.63 0.55 0.73 116.66 115.59 1ivm n ARG 113 Ca 0.02 0.53 -0.01 0.00 -0.92 0.00 0.00 57.85 57.48 1ivm n ARG 113 Cb 0.08 -1.92 0.11 0.00 0.45 0.00 0.00 32.46 31.18 1ivm n ARG 113 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ivm n ALA 114 N -1.78 3.48 0.00 5.13 0.00 0.10 -4.37 120.51 123.08 1ivm n ALA 114 Ca 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 53.44 50.34 1ivm n ALA 114 Cb 0.13 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1ivm n ALA 114 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ivm n HIS 115 N -0.58 -0.67 -0.09 0.00 -0.00 -0.57 -4.82 115.22 108.49 1ivm n HIS 115 Ca 0.19 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.23 1ivm n HIS 115 Cb 0.87 0.27 -0.07 0.00 -0.12 0.00 0.00 29.99 30.94 1ivm n HIS 115 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1ivm n GLN 117 N -4.51 0.11 0.15 0.00 -0.06 -1.01 -2.60 117.38 109.45 1ivm n GLN 117 Ca -0.21 0.59 -0.06 0.00 -2.00 0.00 0.00 57.00 55.32 1ivm n GLN 117 Cb 0.50 -1.84 -0.03 0.00 -4.06 0.00 0.00 30.24 24.81 1ivm n GLN 117 CO 0.00 0.00 0.00 -0.97 -0.20 0.00 0.00 177.06 175.89 1ivm h ASN 118 N 0.00 -0.32 -2.30 1.69 -1.24 -1.78 -3.48 115.58 108.14 1ivm h ASN 118 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1ivm h ASN 118 Cb 0.02 0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.15 1ivm h ASN 118 CO 0.00 -0.22 0.00 -1.14 -1.29 0.00 0.00 177.43 174.78 1ivm n ARG 119 N -3.12 0.63 -2.89 6.67 0.63 -1.07 -5.06 116.66 112.44 1ivm n ARG 119 Ca -0.05 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.45 1ivm n ARG 119 Cb 0.15 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.02 1ivm n ARG 119 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1ivm s ASP 120 N -0.99 6.26 -0.27 6.15 2.15 -1.26 -4.77 116.67 123.94 1ivm s ASP 120 Ca 0.00 -0.66 0.13 0.00 0.43 0.00 0.00 52.55 52.44 1ivm s ASP 120 Cb 0.00 -2.41 0.77 0.00 -0.30 0.00 0.00 42.92 40.98 1ivm s ASP 120 CO 0.00 -1.26 1.74 -0.11 -0.17 0.00 0.00 175.17 175.37 1ivm n LEU 121 N 7.39 5.70 0.23 -1.34 7.94 -1.26 -4.30 117.00 131.37 1ivm n LEU 121 Ca -0.01 -3.07 0.12 0.00 -1.11 0.00 0.00 56.01 51.94 1ivm n LEU 121 Cb 0.46 -0.70 0.42 0.00 0.53 0.00 0.00 43.42 44.14 1ivm n LEU 121 CO 0.63 0.71 0.84 -1.28 -1.11 0.00 0.00 177.39 177.17 1ivm h SER 122 N 3.26 0.00 0.65 1.96 0.87 -1.93 -2.50 113.55 115.86 1ivm h SER 122 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1ivm h SER 122 Cb 2.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.03 1ivm h SER 122 CO 0.56 0.12 0.00 1.67 -0.53 0.00 0.00 176.83 178.66 1ivm n GLN 123 N -3.20 0.04 0.08 2.24 7.27 -1.26 -1.87 117.38 120.68 1ivm n GLN 123 Ca 0.01 0.15 -0.08 0.00 0.07 0.00 0.00 57.00 57.15 1ivm n GLN 123 Cb 0.44 -1.50 0.03 0.00 2.41 0.00 0.00 30.24 31.63 1ivm n GLN 123 CO 0.00 0.00 0.00 -0.92 0.07 0.00 0.00 177.06 176.21 1ivm h TYR 124 N 0.00 0.34 0.05 3.69 3.20 -1.77 -3.29 116.97 119.18 1ivm h TYR 124 Ca 0.00 -0.17 -0.35 0.00 3.14 0.00 0.00 58.73 61.35 1ivm h TYR 124 Cb 0.32 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 1ivm h TYR 124 CO 0.00 0.93 -2.10 0.44 -1.64 0.00 0.00 178.16 175.78 1ivm n ILE 125 N -3.75 1.61 -2.37 1.81 -5.35 -1.08 -4.71 119.36 105.52 1ivm n ILE 125 Ca -0.03 -0.70 -0.41 0.00 -0.27 0.00 0.00 62.75 61.33 1ivm n ILE 125 Cb 0.74 -1.30 -0.03 0.00 -1.74 0.00 0.00 39.64 37.31 1ivm n ILE 125 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1ivm s ARG 126 N -2.55 3.20 0.00 6.28 6.06 -0.78 -3.29 118.95 127.87 1ivm s ARG 126 Ca -0.19 0.37 0.00 0.00 -2.50 0.00 0.00 55.73 53.41 1ivm s ARG 126 Cb 0.07 -4.17 0.00 0.00 0.06 0.00 0.00 34.95 30.91 1ivm s ARG 126 CO 0.75 -2.08 0.00 0.09 -2.50 0.00 0.00 175.30 171.57 1ivm n ASN 127 N 9.97 0.00 0.20 -2.12 4.13 -1.26 -4.75 115.26 121.43 1ivm n ASN 127 Ca 0.12 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.46 1ivm n ASN 127 Cb 0.49 0.00 0.38 0.00 -1.54 0.00 0.00 39.78 39.11 1ivm n ASN 127 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ivm n GLY 129 N 0.27 1.87 0.50 0.00 0.00 -1.26 -5.17 105.19 101.39 1ivm n GLY 129 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1ivm n GLY 129 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70