#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eef s SER 2 N 0.00 -0.60 0.08 1.61 0.01 -1.26 -5.16 113.70 108.38 2eef s SER 2 Ca 0.00 0.30 -0.15 0.00 1.31 0.00 0.00 55.95 57.42 2eef s SER 2 Cb 0.00 0.57 -0.06 0.00 0.21 0.00 0.00 66.02 66.74 2eef s SER 2 CO 0.00 -0.81 0.50 -0.44 0.41 0.00 0.00 173.24 172.89 2eef s SER 3 N -2.08 6.84 0.01 2.44 0.01 -1.26 -4.84 113.70 114.84 2eef s SER 3 Ca -0.04 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.26 2eef s SER 3 Cb -0.01 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.95 2eef s SER 3 CO -0.03 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.44 2eef n GLY 4 N 1.26 -1.72 3.05 3.44 0.00 -1.26 -5.14 105.19 104.83 2eef n GLY 4 Ca -0.09 0.65 -0.21 0.00 0.00 0.00 0.00 46.02 46.37 2eef n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eef s SER 5 N -1.62 1.37 0.03 1.61 1.04 -1.26 -5.05 113.70 109.81 2eef s SER 5 Ca 0.00 -0.21 -0.22 0.00 0.48 0.00 0.00 55.95 56.00 2eef s SER 5 Cb 0.00 -0.26 -0.16 0.00 0.10 0.00 0.00 66.02 65.71 2eef s SER 5 CO 0.00 0.11 1.33 -1.28 0.98 0.00 0.00 173.24 174.38 2eef h SER 6 N 6.10 0.30 0.00 7.02 0.87 -2.00 -3.46 113.55 122.37 2eef h SER 6 Ca -0.33 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 59.75 2eef h SER 6 Cb 1.17 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2eef h SER 6 CO 0.49 0.71 0.00 0.61 -0.53 0.00 0.00 176.83 178.11 2eef n GLY 7 N 0.19 -0.01 3.34 5.77 0.00 -1.26 -5.11 105.19 108.11 2eef n GLY 7 Ca -0.07 0.74 -0.46 0.00 0.00 0.00 0.00 46.02 46.24 2eef n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eef s ALA 8 N 0.00 3.67 -0.44 4.61 0.00 -1.26 -5.00 121.76 123.34 2eef s ALA 8 Ca 0.00 -2.64 0.01 0.00 0.00 0.00 0.00 51.96 49.32 2eef s ALA 8 Cb 0.00 -3.42 0.12 0.00 0.00 0.00 0.00 23.12 19.82 2eef s ALA 8 CO 0.00 -2.20 0.20 -1.21 0.00 0.00 0.00 175.76 172.55 2eef s GLU 9 N 1.60 1.92 -0.08 0.00 2.02 -1.26 -5.06 118.70 117.84 2eef s GLU 9 Ca 0.10 -2.11 -0.30 0.00 0.02 0.00 0.00 54.97 52.67 2eef s GLU 9 Cb -0.23 -3.43 0.10 0.00 0.10 0.00 0.00 34.13 30.66 2eef s GLU 9 CO 0.01 -1.05 0.82 -1.12 0.02 0.00 0.00 175.26 173.93 2eef s SER 10 N 0.93 -0.52 0.86 -0.19 0.01 -1.26 -5.18 113.70 108.35 2eef s SER 10 Ca 0.12 0.52 -0.12 0.00 1.31 0.00 0.00 55.95 57.78 2eef s SER 10 Cb -0.22 0.43 0.14 0.00 0.21 0.00 0.00 66.02 66.59 2eef s SER 10 CO -0.05 -0.51 1.20 -1.61 0.41 0.00 0.00 173.24 172.68 2eef s GLU 11 N -1.37 1.33 0.76 12.44 0.41 -1.26 -5.09 118.70 125.92 2eef s GLU 11 Ca -0.06 -0.33 -0.07 0.00 -0.41 0.00 0.00 54.97 54.10 2eef s GLU 11 Cb -0.00 -1.98 0.11 0.00 -1.78 0.00 0.00 34.13 30.48 2eef s GLU 11 CO 0.04 -1.92 1.07 -1.12 -0.49 0.00 0.00 175.26 172.84 2eef s SER 12 N -4.74 4.36 0.52 -0.19 0.01 -1.26 -4.96 113.70 107.43 2eef s SER 12 Ca 0.68 0.20 0.05 0.00 1.31 0.00 0.00 55.95 58.19 2eef s SER 12 Cb -0.07 -0.66 0.02 0.00 0.21 0.00 0.00 66.02 65.51 2eef s SER 12 CO 0.50 -1.89 0.30 -0.36 0.41 0.00 0.00 173.24 172.21 2eef s PHE 13 N -3.34 1.81 0.34 2.43 0.40 -1.26 -2.37 117.98 115.99 2eef s PHE 13 Ca 0.64 -0.82 0.00 0.00 -0.60 0.00 0.00 56.93 56.15 2eef s PHE 13 Cb -0.08 -1.87 -0.01 0.00 0.51 0.00 0.00 43.02 41.57 2eef s PHE 13 CO 0.46 -0.26 0.41 0.14 0.70 0.00 0.00 175.22 176.67 2eef s VAL 14 N -2.76 0.00 -0.20 -0.44 -7.23 0.61 -4.55 120.40 105.83 2eef s VAL 14 Ca 0.30 -1.72 -0.09 0.00 -1.81 0.00 0.00 61.98 58.65 2eef s VAL 14 Cb -0.01 -2.60 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 2eef s VAL 14 CO 0.18 0.00 0.10 -0.76 -0.31 0.00 0.00 175.10 174.31 2eef s LEU 15 N -3.27 4.02 -0.09 1.32 1.43 -1.26 -2.52 118.68 118.30 2eef s LEU 15 Ca 0.34 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.59 2eef s LEU 15 Cb 0.01 -2.03 0.15 0.00 0.03 0.00 0.00 46.19 44.34 2eef s LEU 15 CO 0.22 0.16 1.17 -0.67 0.23 0.00 0.00 176.35 177.46 2eef n ASP 16 N 3.63 3.09 -3.82 2.29 2.03 -1.10 -4.79 116.55 117.87 2eef n ASP 16 Ca -0.16 -2.34 -0.12 0.00 0.52 0.00 0.00 54.79 52.69 2eef n ASP 16 Cb 0.52 -0.57 -0.10 0.00 -0.72 0.00 0.00 41.12 40.25 2eef n ASP 16 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2eef s PHE 17 N -0.75 -0.10 0.28 -0.67 -0.12 -1.26 -4.90 117.98 110.46 2eef s PHE 17 Ca 0.12 0.21 -0.29 0.00 -0.05 0.00 0.00 56.93 56.92 2eef s PHE 17 Cb 0.10 0.03 -0.09 0.00 -0.63 0.00 0.00 43.02 42.43 2eef s PHE 17 CO 0.02 -0.24 1.01 -1.12 -0.05 0.00 0.00 175.22 174.84 2eef s SER 18 N -0.83 7.37 0.19 1.98 0.01 -1.26 -4.97 113.70 116.20 2eef s SER 18 Ca -0.09 2.05 -0.32 0.00 1.31 0.00 0.00 55.95 58.90 2eef s SER 18 Cb -0.05 -2.61 -0.15 0.00 0.21 0.00 0.00 66.02 63.42 2eef s SER 18 CO 0.02 -0.05 1.27 0.00 0.41 0.00 0.00 173.24 174.89 2eef n GLN 19 N 1.08 1.50 -0.07 12.44 1.13 -1.26 -4.90 117.38 127.30 2eef n GLN 19 Ca -0.00 0.54 -0.13 0.00 -1.94 0.00 0.00 57.00 55.46 2eef n GLN 19 Cb 0.47 -2.10 -0.06 0.00 0.11 0.00 0.00 30.24 28.66 2eef n GLN 19 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2eef h PRO 20 N 3.79 0.53 -1.01 -1.09 0.13 -1.82 -3.17 132.00 129.36 2eef h PRO 20 Ca -0.44 -0.28 0.26 0.00 -0.87 0.00 0.00 66.00 64.67 2eef h PRO 20 Cb 1.32 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.33 2eef h PRO 20 CO 0.73 0.86 0.60 1.03 -0.23 0.00 0.00 178.00 180.99 2eef h SER 21 N 0.22 0.63 -0.74 1.44 0.87 -1.71 -0.78 113.55 113.47 2eef h SER 21 Ca 0.04 0.14 0.30 0.00 -1.23 0.00 0.00 61.79 61.04 2eef h SER 21 Cb 0.76 0.05 -0.12 0.00 -0.44 0.00 0.00 62.40 62.65 2eef h SER 21 CO 0.05 0.05 0.41 0.00 -0.53 0.00 0.00 176.83 176.82 2eef n ALA 22 N -2.32 0.76 -3.64 6.23 0.00 -1.20 -2.81 120.51 117.53 2eef n ALA 22 Ca 0.28 0.71 -0.39 0.00 0.00 0.00 0.00 53.44 54.04 2eef n ALA 22 Cb 0.81 -0.72 -0.09 0.00 0.00 0.00 0.00 19.45 19.44 2eef n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2eef s ASP 23 N -4.63 5.54 0.14 0.00 1.11 -0.30 -4.96 116.67 113.57 2eef s ASP 23 Ca -0.06 -2.10 -0.19 0.00 0.18 0.00 0.00 52.55 50.38 2eef s ASP 23 Cb 0.24 -1.94 0.01 0.00 1.07 0.00 0.00 42.92 42.30 2eef s ASP 23 CO 0.55 -0.60 1.69 0.22 1.18 0.00 0.00 175.17 178.22 2eef h TYR 24 N 8.12 -0.14 0.06 4.23 3.20 -1.77 0.16 116.97 130.83 2eef h TYR 24 Ca -0.15 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.74 2eef h TYR 24 Cb 1.05 0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.42 2eef h TYR 24 CO 0.63 -0.12 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.94 2eef h LEU 25 N -0.00 -0.06 -1.34 2.82 -0.00 -1.93 0.15 115.31 114.95 2eef h LEU 25 Ca 0.13 0.00 0.18 0.00 -0.00 0.00 0.00 57.88 58.19 2eef h LEU 25 Cb 0.20 0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 40.85 2eef h LEU 25 CO -0.28 -0.04 0.86 -0.78 -0.00 0.00 0.00 178.44 178.21 2eef h ASP 26 N -0.09 0.00 0.00 -0.43 3.58 -1.94 -0.34 116.42 117.20 2eef h ASP 26 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2eef h ASP 26 Cb 0.06 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2eef h ASP 26 CO 0.01 0.00 -0.07 0.15 -2.88 0.00 0.00 179.24 176.45 2eef h PHE 27 N 0.00 0.00 -1.08 0.28 3.04 -0.51 -3.35 116.94 115.32 2eef h PHE 27 Ca 0.30 0.00 0.31 0.00 3.98 0.00 0.00 57.97 62.56 2eef h PHE 27 Cb 2.02 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 40.48 2eef h PHE 27 CO 0.00 0.00 0.78 0.07 -2.02 0.00 0.00 178.31 177.14 2eef h ARG 28 N -0.78 0.03 -0.80 1.11 0.11 0.64 0.31 114.38 114.99 2eef h ARG 28 Ca 0.00 -0.00 0.11 0.00 0.10 0.00 0.00 59.98 60.19 2eef h ARG 28 Cb 0.07 -0.01 -0.06 0.00 1.11 0.00 0.00 29.97 31.09 2eef h ARG 28 CO 0.00 0.02 0.53 -0.91 0.10 0.00 0.00 179.97 179.70 2eef h ASN 29 N 0.03 0.63 0.68 0.08 2.35 -1.25 0.20 115.58 118.30 2eef h ASN 29 Ca 0.52 0.02 -0.26 0.00 -0.55 0.00 0.00 56.30 56.03 2eef h ASN 29 Cb 2.04 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 40.30 2eef h ASN 29 CO -0.03 0.36 -1.20 0.03 -1.65 0.00 0.00 177.43 174.94 2eef h ARG 30 N 0.69 0.23 0.00 0.81 2.47 -0.53 -1.20 114.38 116.85 2eef h ARG 30 Ca 0.38 -0.39 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2eef h ARG 30 Cb 0.54 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.00 2eef h ARG 30 CO -0.15 1.18 0.00 -0.11 0.56 0.00 0.00 179.97 181.46 2eef n LEU 31 N -3.51 0.47 -0.08 3.04 7.94 -0.48 0.66 117.00 125.04 2eef n LEU 31 Ca -0.07 0.57 -0.08 0.00 -1.11 0.00 0.00 56.01 55.32 2eef n LEU 31 Cb 1.01 -0.45 -0.13 0.00 0.53 0.00 0.00 43.42 44.38 2eef n LEU 31 CO 0.53 -0.24 -1.03 1.67 -1.11 0.00 0.00 177.39 177.20 2eef n GLN 32 N -1.97 1.32 -0.05 1.96 7.27 0.59 -2.79 117.38 123.70 2eef n GLN 32 Ca 0.05 -0.01 -0.05 0.00 0.07 0.00 0.00 57.00 57.06 2eef n GLN 32 Cb 0.32 -1.42 -0.14 0.00 2.41 0.00 0.00 30.24 31.41 2eef n GLN 32 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2eef n ALA 33 N -2.61 1.77 0.33 1.69 0.00 -0.46 -4.40 120.51 116.83 2eef n ALA 33 Ca -0.27 -0.97 0.04 0.00 0.00 0.00 0.00 53.44 52.25 2eef n ALA 33 Cb 1.03 -0.53 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 2eef n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2eef n ASP 34 N -2.76 0.90 -2.17 0.00 2.03 0.21 -5.00 116.55 109.77 2eef n ASP 34 Ca -0.22 -0.57 -0.19 0.00 0.52 0.00 0.00 54.79 54.34 2eef n ASP 34 Cb 1.00 1.08 -0.01 0.00 -0.72 0.00 0.00 41.12 42.47 2eef n ASP 34 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2eef n HIS 35 N -1.32 -0.92 -3.65 -0.67 8.25 -0.92 -4.85 115.22 111.14 2eef n HIS 35 Ca 0.01 0.01 -0.04 0.00 -0.26 0.00 0.00 57.72 57.44 2eef n HIS 35 Cb 0.15 -3.70 -0.07 0.00 1.12 0.00 0.00 29.99 27.49 2eef n HIS 35 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2eef s VAL 36 N -2.95 0.00 -0.24 1.59 0.11 -1.23 -3.16 120.40 114.53 2eef s VAL 36 Ca 0.01 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.79 2eef s VAL 36 Cb -0.00 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.96 2eef s VAL 36 CO 0.01 0.00 0.96 0.00 -3.33 0.00 0.00 175.10 172.74 2eef s LEU 38 N -0.15 4.26 0.00 0.00 2.96 -1.26 -0.16 118.68 124.33 2eef s LEU 38 Ca 0.01 1.43 0.00 0.00 -0.22 0.00 0.00 54.13 55.34 2eef s LEU 38 Cb -0.04 -3.42 0.00 0.00 0.50 0.00 0.00 46.19 43.23 2eef s LEU 38 CO -0.02 -0.36 0.24 1.21 -1.32 0.00 0.00 176.35 176.10 2eef n GLU 39 N 4.70 0.00 -4.11 1.98 2.13 0.45 -4.35 120.64 121.44 2eef n GLU 39 Ca 0.06 0.38 -0.15 0.00 0.66 0.00 0.00 57.16 58.11 2eef n GLU 39 Cb 0.49 -1.02 -0.14 0.00 0.27 0.00 0.00 31.44 31.05 2eef n GLU 39 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2eef s ASN 40 N -2.38 0.56 -0.17 4.31 4.22 -1.22 -2.78 114.94 117.46 2eef s ASN 40 Ca 0.00 -0.14 -0.03 0.00 -2.14 0.00 0.00 52.86 50.56 2eef s ASN 40 Cb 0.00 -0.05 0.05 0.00 1.28 0.00 0.00 41.25 42.54 2eef s ASN 40 CO 0.00 0.02 0.03 0.00 -2.04 0.00 0.00 177.10 175.12 2eef s VAL 42 N 1.90 3.85 -0.15 0.00 -7.23 -0.04 -4.98 120.40 113.74 2eef s VAL 42 Ca 0.00 -1.18 -0.00 0.00 -1.81 0.00 0.00 61.98 58.99 2eef s VAL 42 Cb -0.16 -3.31 0.03 0.00 0.56 0.00 0.00 36.38 33.50 2eef s VAL 42 CO -0.08 -0.17 -0.09 -0.22 -0.31 0.00 0.00 175.10 174.23 2eef s LEU 43 N -4.08 1.63 0.00 1.32 0.20 -1.26 -2.39 118.68 114.10 2eef s LEU 43 Ca 0.43 -0.56 -0.01 0.00 0.69 0.00 0.00 54.13 54.68 2eef s LEU 43 Cb -0.08 -1.02 0.08 0.00 -0.43 0.00 0.00 46.19 44.74 2eef s LEU 43 CO 0.29 -0.13 0.55 0.29 -0.29 0.00 0.00 176.35 177.06 2eef n LYS 44 N 4.83 0.15 0.00 1.98 4.01 0.15 -4.95 118.16 124.34 2eef n LYS 44 Ca -0.14 -1.42 0.00 0.00 -0.51 0.00 0.00 58.31 56.24 2eef n LYS 44 Cb 0.49 -0.39 0.00 0.00 -0.51 0.00 0.00 35.03 34.62 2eef n LYS 44 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2eef n ASP 45 N -2.99 0.00 -1.53 4.39 8.00 -1.26 -3.55 116.55 119.61 2eef n ASP 45 Ca 0.09 0.89 -0.03 0.00 0.71 0.00 0.00 54.79 56.45 2eef n ASP 45 Cb 0.31 -0.39 0.09 0.00 -0.02 0.00 0.00 41.12 41.11 2eef n ASP 45 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2eef n LYS 46 N -2.58 1.72 -3.99 -1.24 4.76 -1.26 -4.59 118.16 110.98 2eef n LYS 46 Ca 0.00 -3.24 -0.11 0.00 -2.87 0.00 0.00 58.31 52.09 2eef n LYS 46 Cb 0.00 -1.39 -0.03 0.00 -1.84 0.00 0.00 35.03 31.77 2eef n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2eef s ALA 47 N -2.64 0.07 0.07 7.82 0.00 -1.23 0.28 121.76 126.13 2eef s ALA 47 Ca 0.38 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 2eef s ALA 47 Cb 0.38 1.01 -0.04 0.00 0.00 0.00 0.00 23.12 24.47 2eef s ALA 47 CO -0.06 -0.86 -0.02 0.96 0.00 0.00 0.00 175.76 175.78 2eef s ILE 48 N -3.19 0.26 -0.23 0.00 -4.36 0.19 0.33 121.20 114.21 2eef s ILE 48 Ca 0.24 -1.84 -0.13 0.00 -0.26 0.00 0.00 60.65 58.66 2eef s ILE 48 Cb -0.02 -1.63 0.07 0.00 1.25 0.00 0.00 42.46 42.13 2eef s ILE 48 CO 0.15 -0.89 0.55 0.00 0.24 0.00 0.00 174.94 174.98 2eef s ALA 49 N -3.91 -1.48 0.12 2.27 0.00 -1.01 -2.70 121.76 115.06 2eef s ALA 49 Ca 0.10 1.99 -0.20 0.00 0.00 0.00 0.00 51.96 53.85 2eef s ALA 49 Cb 0.08 -1.19 0.05 0.00 0.00 0.00 0.00 23.12 22.05 2eef s ALA 49 CO -0.07 -0.34 0.51 0.20 0.00 0.00 0.00 175.76 176.06 2eef s GLY 50 N 1.55 -0.44 -0.12 0.00 0.00 -0.61 -0.87 107.32 106.83 2eef s GLY 50 Ca -0.10 0.33 0.02 0.00 0.00 0.00 0.00 44.72 44.97 2eef s GLY 50 CO -0.16 0.03 -0.19 -0.51 0.00 0.00 0.00 173.10 172.27 2eef s THR 51 N -3.42 2.51 0.17 0.90 -4.23 -0.76 -0.70 115.64 110.11 2eef s THR 51 Ca 0.00 -0.85 0.06 0.00 -1.18 0.00 0.00 61.69 59.71 2eef s THR 51 Cb 0.00 -2.01 -0.04 0.00 1.34 0.00 0.00 72.50 71.79 2eef s THR 51 CO -0.10 0.54 0.12 -0.69 -0.54 0.00 0.00 174.62 173.96 2eef s VAL 52 N 0.40 4.37 0.22 2.29 1.01 0.68 -0.41 120.40 128.96 2eef s VAL 52 Ca -0.14 -1.17 0.09 0.00 0.00 0.00 0.00 61.98 60.77 2eef s VAL 52 Cb -0.17 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 2eef s VAL 52 CO 0.07 -0.13 -0.08 -0.54 0.00 0.00 0.00 175.10 174.41 2eef s LYS 53 N -3.15 2.09 0.17 2.72 -0.14 0.77 -2.24 119.74 119.95 2eef s LYS 53 Ca 0.31 -1.37 -0.10 0.00 -1.36 0.00 0.00 55.97 53.45 2eef s LYS 53 Cb -0.10 -2.12 -0.00 0.00 -1.68 0.00 0.00 37.83 33.93 2eef s LYS 53 CO 0.23 0.40 0.31 0.14 -0.76 0.00 0.00 175.35 175.67 2eef s VAL 54 N -1.97 0.06 -0.14 3.17 -7.23 -1.22 -2.26 120.40 110.81 2eef s VAL 54 Ca 0.27 -1.31 -0.05 0.00 -1.81 0.00 0.00 61.98 59.08 2eef s VAL 54 Cb -0.08 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 2eef s VAL 54 CO 0.16 -0.29 0.05 -1.10 -0.31 0.00 0.00 175.10 173.62 2eef s GLN 55 N -3.95 3.52 -1.11 4.82 -1.52 -1.19 -4.03 119.66 116.20 2eef s GLN 55 Ca 0.16 -0.33 -0.23 0.00 -1.95 0.00 0.00 55.36 53.00 2eef s GLN 55 Cb 0.03 -3.05 -0.08 0.00 -0.22 0.00 0.00 33.01 29.68 2eef s GLN 55 CO -0.01 0.52 1.95 0.54 -0.25 0.00 0.00 175.29 178.04 2eef s ASN 56 N -0.33 4.97 -0.25 5.90 4.22 -1.23 -4.58 114.94 123.63 2eef s ASN 56 Ca 0.08 -1.39 -0.07 0.00 -2.14 0.00 0.00 52.86 49.35 2eef s ASN 56 Cb -0.12 -2.58 -0.16 0.00 1.28 0.00 0.00 41.25 39.67 2eef s ASN 56 CO 0.02 -3.09 -0.21 0.18 -2.04 0.00 0.00 177.10 171.96 2eef n LEU 57 N 14.58 2.47 -4.43 3.54 4.77 -1.26 -5.01 117.00 131.67 2eef n LEU 57 Ca 0.44 0.12 -0.25 0.00 -0.03 0.00 0.00 56.01 56.29 2eef n LEU 57 Cb 0.47 -0.89 -0.11 0.00 -2.33 0.00 0.00 43.42 40.55 2eef n LEU 57 CO 0.65 0.75 -0.50 0.00 -1.33 0.00 0.00 177.39 176.96 2eef s ALA 58 N -2.51 2.53 0.19 -1.18 0.00 -1.26 -4.99 121.76 114.54 2eef s ALA 58 Ca -0.35 -1.72 -0.13 0.00 0.00 0.00 0.00 51.96 49.75 2eef s ALA 58 Cb 0.11 -0.27 0.19 0.00 0.00 0.00 0.00 23.12 23.16 2eef s ALA 58 CO 0.57 0.32 1.72 0.35 0.00 0.00 0.00 175.76 178.72 2eef h PHE 59 N 2.78 0.16 -3.02 0.00 3.04 -2.00 -3.42 116.94 114.49 2eef h PHE 59 Ca -0.43 0.03 -0.61 0.00 3.98 0.00 0.00 57.97 60.94 2eef h PHE 59 Cb 1.23 0.00 -0.09 0.00 2.56 0.00 0.00 35.95 39.65 2eef h PHE 59 CO 0.74 -0.00 -0.61 -1.21 -2.02 0.00 0.00 178.31 175.20 2eef s GLU 60 N -6.14 2.74 0.04 1.11 8.01 -1.26 -5.13 118.70 118.06 2eef s GLU 60 Ca -0.13 -0.85 0.00 0.00 0.01 0.00 0.00 54.97 54.01 2eef s GLU 60 Cb 0.15 -2.60 -0.03 0.00 -4.31 0.00 0.00 34.13 27.35 2eef s GLU 60 CO 0.73 0.52 -0.04 0.15 0.01 0.00 0.00 175.26 176.62 2eef s LYS 61 N -2.69 0.45 -0.33 1.61 1.02 -1.26 -4.73 119.74 113.81 2eef s LYS 61 Ca 0.29 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.46 2eef s LYS 61 Cb -0.11 0.05 0.10 0.00 -0.52 0.00 0.00 37.83 37.36 2eef s LYS 61 CO 0.21 -0.05 0.10 0.99 -0.92 0.00 0.00 175.35 175.69 2eef s THR 62 N -2.16 1.12 -0.27 2.17 2.01 -0.96 -5.02 115.64 112.54 2eef s THR 62 Ca -0.08 -1.63 -0.08 0.00 0.31 0.00 0.00 61.69 60.20 2eef s THR 62 Cb -0.05 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 2eef s THR 62 CO -0.03 -0.68 0.10 -0.69 -0.69 0.00 0.00 174.62 172.63 2eef s VAL 63 N 1.41 4.43 -0.10 3.82 1.01 -1.26 -1.60 120.40 128.11 2eef s VAL 63 Ca 0.11 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 2eef s VAL 63 Cb -0.18 -3.15 0.05 0.00 0.00 0.00 0.00 36.38 33.10 2eef s VAL 63 CO -0.21 0.23 0.21 -0.54 0.00 0.00 0.00 175.10 174.79 2eef s LYS 64 N 1.61 0.13 0.20 2.72 1.02 -1.01 -2.94 119.74 121.48 2eef s LYS 64 Ca 0.06 0.54 -0.30 0.00 0.02 0.00 0.00 55.97 56.29 2eef s LYS 64 Cb -0.16 -0.15 -0.08 0.00 -0.52 0.00 0.00 37.83 36.92 2eef s LYS 64 CO 0.05 -0.22 0.94 0.42 -0.92 0.00 0.00 175.35 175.62 2eef s ILE 65 N 1.67 4.21 -0.29 2.17 -1.09 -1.03 -2.67 121.20 124.16 2eef s ILE 65 Ca -0.05 2.07 0.03 0.00 -2.23 0.00 0.00 60.65 60.47 2eef s ILE 65 Cb -0.11 -4.32 0.08 0.00 -1.58 0.00 0.00 42.46 36.53 2eef s ILE 65 CO -0.07 0.45 -0.01 -0.60 -1.23 0.00 0.00 174.94 173.47 2eef s ARG 66 N -0.84 1.69 0.04 2.79 3.52 -1.15 -2.03 118.95 122.97 2eef s ARG 66 Ca 0.42 -1.49 0.07 0.00 -0.13 0.00 0.00 55.73 54.60 2eef s ARG 66 Cb -0.25 -2.90 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 2eef s ARG 66 CO 0.31 -0.77 -0.16 1.41 -0.81 0.00 0.00 175.30 175.28 2eef s MET 67 N 1.11 2.13 0.12 5.12 1.75 -1.23 -1.22 119.30 127.07 2eef s MET 67 Ca 0.02 -0.95 0.08 0.00 -1.25 0.00 0.00 55.69 53.58 2eef s MET 67 Cb -0.19 -2.23 -0.04 0.00 2.84 0.00 0.00 34.83 35.21 2eef s MET 67 CO -0.08 0.55 -0.19 -0.08 -0.65 0.00 0.00 175.02 174.56 2eef s THR 68 N -0.95 1.68 -0.03 10.11 -1.32 0.43 -2.88 115.64 122.68 2eef s THR 68 Ca 0.15 -1.68 0.04 0.00 -1.21 0.00 0.00 61.69 59.00 2eef s THR 68 Cb -0.11 -1.63 0.07 0.00 -1.51 0.00 0.00 72.50 69.32 2eef s THR 68 CO 0.06 -0.19 0.96 0.49 -2.21 0.00 0.00 174.62 173.73 2eef n PHE 69 N 0.77 0.00 -3.35 9.09 3.01 -1.25 -2.43 117.46 123.30 2eef n PHE 69 Ca -0.17 -0.51 -0.26 0.00 1.01 0.00 0.00 57.45 57.52 2eef n PHE 69 Cb 0.55 -0.07 -0.08 0.00 -0.01 0.00 0.00 39.48 39.87 2eef n PHE 69 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2eef n ASP 70 N -0.62 1.04 -3.55 4.37 8.00 -1.23 -4.64 116.55 119.92 2eef n ASP 70 Ca 0.04 -2.82 -0.20 0.00 0.71 0.00 0.00 54.79 52.51 2eef n ASP 70 Cb 0.40 -0.64 -0.06 0.00 -0.02 0.00 0.00 41.12 40.81 2eef n ASP 70 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2eef n THR 71 N 1.67 -0.47 -3.43 -3.53 -1.04 -1.15 0.22 114.28 106.54 2eef n THR 71 Ca 0.25 -0.24 -0.18 0.00 -2.04 0.00 0.00 64.05 61.84 2eef n THR 71 Cb 0.48 -0.54 0.09 0.00 -1.82 0.00 0.00 70.33 68.53 2eef n THR 71 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2eef n TRP 72 N -3.06 -2.24 -0.03 -1.42 7.02 -1.26 -4.93 117.44 111.52 2eef n TRP 72 Ca -0.14 0.94 -0.04 0.00 -1.02 0.00 0.00 57.50 57.24 2eef n TRP 72 Cb 0.39 -5.04 -0.02 0.00 -2.42 0.00 0.00 31.31 24.21 2eef n TRP 72 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2eef n LYS 73 N -4.19 0.13 -3.72 -0.99 5.02 0.59 -4.94 118.16 110.06 2eef n LYS 73 Ca -0.25 0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 55.77 2eef n LYS 73 Cb 0.66 -1.09 -0.14 0.00 -0.02 0.00 0.00 35.03 34.44 2eef n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2eef s SER 74 N -4.56 3.80 0.21 4.39 0.15 -1.26 -5.04 113.70 111.40 2eef s SER 74 Ca -0.07 -2.24 0.06 0.00 0.70 0.00 0.00 55.95 54.39 2eef s SER 74 Cb 0.02 -0.97 -0.04 0.00 -1.71 0.00 0.00 66.02 63.32 2eef s SER 74 CO 0.12 -0.33 0.22 -0.72 1.20 0.00 0.00 173.24 173.74 2eef s TYR 75 N 0.85 3.23 0.07 3.44 -0.85 -1.26 -3.97 117.35 118.87 2eef s TYR 75 Ca 0.15 -0.04 0.05 0.00 -0.52 0.00 0.00 57.07 56.71 2eef s TYR 75 Cb -0.22 -1.50 -0.03 0.00 0.38 0.00 0.00 41.96 40.60 2eef s TYR 75 CO -0.09 0.50 -0.15 0.99 -1.52 0.00 0.00 175.55 175.29 2eef s THR 76 N -1.95 1.18 -0.36 -3.49 2.01 -1.14 -5.01 115.64 106.88 2eef s THR 76 Ca 0.33 -1.30 -0.14 0.00 0.31 0.00 0.00 61.69 60.89 2eef s THR 76 Cb -0.09 -1.12 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 2eef s THR 76 CO 0.26 -0.18 0.27 -0.62 -0.69 0.00 0.00 174.62 173.66 2eef s ASP 77 N -1.69 6.09 -0.16 3.53 2.15 -1.26 -3.58 116.67 121.76 2eef s ASP 77 Ca -0.01 -0.54 -0.06 0.00 0.43 0.00 0.00 52.55 52.38 2eef s ASP 77 Cb -0.10 -2.15 -0.04 0.00 -0.30 0.00 0.00 42.92 40.33 2eef s ASP 77 CO 0.02 -0.31 0.03 -0.36 -0.17 0.00 0.00 175.17 174.39 2eef s PHE 78 N 1.75 3.21 0.23 -5.34 0.08 -0.86 -5.00 117.98 112.06 2eef s PHE 78 Ca 0.07 0.04 -0.30 0.00 0.12 0.00 0.00 56.93 56.86 2eef s PHE 78 Cb -0.18 -2.00 -0.09 0.00 -0.57 0.00 0.00 43.02 40.19 2eef s PHE 78 CO 0.11 0.20 1.28 -1.25 -0.10 0.00 0.00 175.22 175.46 2eef s PRO 79 N 0.08 4.41 -0.03 0.24 0.04 -1.26 -2.48 135.00 136.01 2eef s PRO 79 Ca 0.04 2.05 -0.09 0.00 0.04 0.00 0.00 61.00 63.03 2eef s PRO 79 Cb -0.13 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.19 2eef s PRO 79 CO 0.01 -0.19 0.28 0.00 0.04 0.00 0.00 177.00 177.14 2eef n GLN 81 N 1.59 -0.73 -5.03 0.00 1.13 0.17 -4.75 117.38 109.75 2eef n GLN 81 Ca -0.15 -2.37 -0.32 0.00 -1.94 0.00 0.00 57.00 52.22 2eef n GLN 81 Cb 0.53 -1.03 -0.15 0.00 0.11 0.00 0.00 30.24 29.70 2eef n GLN 81 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2eef s TYR 82 N -3.51 2.63 -0.37 1.08 6.14 -1.26 0.06 117.35 122.11 2eef s TYR 82 Ca 0.71 -0.66 0.03 0.00 0.64 0.00 0.00 57.07 57.78 2eef s TYR 82 Cb -0.03 -1.71 0.10 0.00 0.42 0.00 0.00 41.96 40.75 2eef s TYR 82 CO 0.49 -0.18 0.10 0.08 0.64 0.00 0.00 175.55 176.67 2eef s VAL 83 N 0.00 2.51 -0.69 3.14 1.01 0.24 -4.85 120.40 121.76 2eef s VAL 83 Ca -0.06 -2.36 -0.23 0.00 0.00 0.00 0.00 61.98 59.33 2eef s VAL 83 Cb -0.15 -2.82 0.07 0.00 0.00 0.00 0.00 36.38 33.49 2eef s VAL 83 CO 0.05 -0.63 1.01 -0.75 0.00 0.00 0.00 175.10 174.78 2eef s LYS 84 N 0.86 3.16 -0.09 2.72 2.20 -1.26 -4.47 119.74 122.86 2eef s LYS 84 Ca 0.11 -0.87 0.02 0.00 -0.36 0.00 0.00 55.97 54.87 2eef s LYS 84 Cb -0.20 -4.30 -0.02 0.00 -1.51 0.00 0.00 37.83 31.80 2eef s LYS 84 CO -0.07 -1.85 -0.15 0.34 -0.36 0.00 0.00 175.35 173.27 2eef s ASP 85 N 3.71 3.92 0.29 1.43 -1.08 -1.06 -4.99 116.67 118.89 2eef s ASP 85 Ca 0.24 -0.30 0.17 0.00 -0.52 0.00 0.00 52.55 52.15 2eef s ASP 85 Cb -0.15 -1.26 1.05 0.00 -1.46 0.00 0.00 42.92 41.11 2eef s ASP 85 CO 0.09 0.24 1.21 0.41 0.52 0.00 0.00 175.17 177.64 2eef n THR 86 N 3.02 -0.31 0.09 1.71 -1.04 -1.26 0.21 114.28 116.69 2eef n THR 86 Ca -0.18 1.54 -0.21 0.00 -2.04 0.00 0.00 64.05 63.16 2eef n THR 86 Cb 0.52 -2.50 -0.15 0.00 -1.82 0.00 0.00 70.33 66.38 2eef n THR 86 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 2eef h TYR 87 N 0.00 0.69 -3.50 -1.42 0.05 -1.99 -3.44 116.97 107.35 2eef h TYR 87 Ca 0.66 -0.50 -0.61 0.00 0.05 0.00 0.00 58.73 58.32 2eef h TYR 87 Cb 1.79 -0.03 -0.11 0.00 1.01 0.00 0.00 36.73 39.39 2eef h TYR 87 CO -0.01 1.57 0.34 0.00 -1.05 0.00 0.00 178.16 179.00 2eef s ALA 88 N -2.60 3.47 0.00 3.88 0.00 0.56 -4.15 121.76 122.92 2eef s ALA 88 Ca -0.12 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2eef s ALA 88 Cb 0.06 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2eef s ALA 88 CO 0.87 -1.34 0.00 0.41 0.00 0.00 0.00 175.76 175.70 2eef n GLY 89 N 4.43 0.33 3.55 0.00 0.00 -1.26 -2.57 105.19 109.67 2eef n GLY 89 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2eef n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eef n SER 90 N 0.00 2.35 -1.79 1.61 7.64 -1.26 -2.51 113.62 119.66 2eef n SER 90 Ca 0.00 -0.22 -0.02 0.00 1.01 0.00 0.00 58.87 59.64 2eef n SER 90 Cb 0.00 -1.50 -0.01 0.00 -1.01 0.00 0.00 64.21 61.70 2eef n SER 90 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2eef n ASP 91 N 14.06 -1.11 -3.04 6.43 8.00 -1.26 -4.81 116.55 134.82 2eef n ASP 91 Ca 0.38 0.25 -0.17 0.00 0.71 0.00 0.00 54.79 55.96 2eef n ASP 91 Cb 0.46 -1.23 -0.06 0.00 -0.02 0.00 0.00 41.12 40.26 2eef n ASP 91 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2eef n ARG 92 N -1.87 0.49 -3.73 -1.24 1.85 -1.05 -3.50 116.66 107.62 2eef n ARG 92 Ca -0.03 -2.99 -0.15 0.00 -1.00 0.00 0.00 57.85 53.68 2eef n ARG 92 Cb 0.30 2.59 -0.15 0.00 -1.05 0.00 0.00 32.46 34.15 2eef n ARG 92 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2eef s ASP 93 N -3.16 0.24 -0.27 2.89 1.11 -1.26 -4.32 116.67 111.90 2eef s ASP 93 Ca 0.34 0.23 -0.09 0.00 0.18 0.00 0.00 52.55 53.21 2eef s ASP 93 Cb 0.01 0.12 -0.03 0.00 1.07 0.00 0.00 42.92 44.08 2eef s ASP 93 CO 0.24 -0.18 0.13 -0.89 1.18 0.00 0.00 175.17 175.66 2eef s THR 94 N 1.50 4.78 0.01 -1.27 2.01 -1.26 -3.43 115.64 117.98 2eef s THR 94 Ca -0.05 -0.07 0.04 0.00 0.31 0.00 0.00 61.69 61.92 2eef s THR 94 Cb -0.12 -3.29 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 2eef s THR 94 CO -0.05 0.25 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.69 2eef s PHE 95 N 1.68 2.84 0.35 4.92 0.08 -0.95 -0.59 117.98 126.31 2eef s PHE 95 Ca 0.06 -0.07 0.08 0.00 0.12 0.00 0.00 56.93 57.12 2eef s PHE 95 Cb -0.16 -1.58 -0.03 0.00 -0.57 0.00 0.00 43.02 40.68 2eef s PHE 95 CO 0.07 0.36 0.25 -1.12 -0.10 0.00 0.00 175.22 174.68 2eef s SER 96 N -1.48 5.02 -0.15 1.36 0.01 0.11 -0.23 113.70 118.35 2eef s SER 96 Ca 0.17 -0.64 -0.07 0.00 1.31 0.00 0.00 55.95 56.72 2eef s SER 96 Cb -0.11 -0.82 0.06 0.00 0.21 0.00 0.00 66.02 65.35 2eef s SER 96 CO 0.08 -0.38 0.34 0.72 0.41 0.00 0.00 173.24 174.41 2eef s PHE 97 N -2.38 -0.50 -0.38 2.43 -0.12 0.12 0.45 117.98 117.60 2eef s PHE 97 Ca 0.41 1.10 0.01 0.00 -0.05 0.00 0.00 56.93 58.40 2eef s PHE 97 Cb -0.04 0.17 0.12 0.00 -0.63 0.00 0.00 43.02 42.64 2eef s PHE 97 CO 0.25 -0.31 0.17 0.16 -0.05 0.00 0.00 175.22 175.43 2eef s ASP 98 N 1.50 3.90 0.05 1.98 -4.77 -1.26 -1.58 116.67 116.49 2eef s ASP 98 Ca -0.08 -2.20 -0.08 0.00 -3.30 0.00 0.00 52.55 46.89 2eef s ASP 98 Cb -0.10 -1.02 -0.05 0.00 -1.09 0.00 0.00 42.92 40.66 2eef s ASP 98 CO -0.11 -0.34 0.34 -0.63 0.70 0.00 0.00 175.17 175.14 2eef s ILE 99 N 0.90 5.19 -0.21 2.11 1.01 -1.10 -4.92 121.20 124.18 2eef s ILE 99 Ca 0.14 0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.98 2eef s ILE 99 Cb -0.21 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 2eef s ILE 99 CO -0.10 0.31 0.23 -0.94 0.00 0.00 0.00 174.94 174.44 2eef s SER 100 N -1.77 6.26 0.58 3.58 1.04 -1.26 -0.63 113.70 121.49 2eef s SER 100 Ca 0.31 0.29 -0.17 0.00 0.48 0.00 0.00 55.95 56.86 2eef s SER 100 Cb -0.14 -2.14 -0.04 0.00 0.10 0.00 0.00 66.02 63.80 2eef s SER 100 CO 0.18 0.06 1.08 -0.76 0.98 0.00 0.00 173.24 174.77 2eef s LEU 101 N 0.89 3.59 0.89 2.42 1.43 0.14 -4.95 118.68 123.10 2eef s LEU 101 Ca 0.12 1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 55.04 2eef s LEU 101 Cb -0.13 -4.55 0.12 0.00 0.03 0.00 0.00 46.19 41.66 2eef s LEU 101 CO 0.04 -1.19 1.09 -2.16 0.23 0.00 0.00 176.35 174.36 2eef s PRO 102 N -3.77 1.33 0.21 1.29 0.04 -1.26 -4.83 135.00 128.02 2eef s PRO 102 Ca 0.67 0.85 0.01 0.00 0.04 0.00 0.00 61.00 62.56 2eef s PRO 102 Cb -0.18 -1.82 0.50 0.00 0.04 0.00 0.00 34.50 33.04 2eef s PRO 102 CO 0.33 -2.20 1.07 -0.85 0.04 0.00 0.00 177.00 175.39 2eef n GLU 103 N -3.86 -0.06 -3.62 4.56 0.28 -1.26 -4.74 120.64 111.95 2eef n GLU 103 Ca 0.07 1.03 0.01 0.00 -0.16 0.00 0.00 57.16 58.11 2eef n GLU 103 Cb 0.55 -1.62 0.01 0.00 1.43 0.00 0.00 31.44 31.81 2eef n GLU 103 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2eef n LYS 104 N -4.94 0.28 -3.60 3.44 2.85 -1.26 -5.07 118.16 109.86 2eef n LYS 104 Ca 0.16 -0.84 -0.10 0.00 -1.05 0.00 0.00 58.31 56.47 2eef n LYS 104 Cb 0.51 1.28 -0.10 0.00 -0.65 0.00 0.00 35.03 36.06 2eef n LYS 104 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2eef s ILE 105 N -2.07 -0.56 -0.30 0.58 1.01 -1.26 -5.02 121.20 113.59 2eef s ILE 105 Ca 0.24 0.15 0.03 0.00 0.00 0.00 0.00 60.65 61.07 2eef s ILE 105 Cb -0.01 -0.63 0.35 0.00 0.01 0.00 0.00 42.46 42.18 2eef s ILE 105 CO 0.01 0.04 1.40 0.00 0.00 0.00 0.00 174.94 176.39 2eef n GLN 106 N 5.37 1.88 -4.16 2.79 1.13 -1.26 -4.87 117.38 118.26 2eef n GLN 106 Ca -0.07 -1.53 -0.30 0.00 -1.94 0.00 0.00 57.00 53.16 2eef n GLN 106 Cb 0.50 -1.65 -0.05 0.00 0.11 0.00 0.00 30.24 29.15 2eef n GLN 106 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2eef n SER 107 N -0.21 -0.53 -0.07 1.08 3.41 -1.26 -4.84 113.62 111.20 2eef n SER 107 Ca 0.27 -1.11 -0.06 0.00 -0.26 0.00 0.00 58.87 57.71 2eef n SER 107 Cb 1.03 -2.44 -0.12 0.00 -0.26 0.00 0.00 64.21 62.41 2eef n SER 107 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2eef n TYR 108 N -4.43 0.00 -4.68 7.33 4.11 -1.26 -4.99 117.16 113.24 2eef n TYR 108 Ca -0.22 0.00 -0.24 0.00 -0.00 0.00 0.00 57.90 57.44 2eef n TYR 108 Cb 0.64 -0.73 -0.15 0.00 -0.00 0.00 0.00 39.34 39.10 2eef n TYR 108 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 2eef s GLU 109 N -2.44 1.31 0.70 -3.48 2.02 -1.26 -5.08 118.70 110.47 2eef s GLU 109 Ca -0.07 -0.75 -0.16 0.00 0.02 0.00 0.00 54.97 54.00 2eef s GLU 109 Cb 0.05 -1.33 0.02 0.00 0.10 0.00 0.00 34.13 32.97 2eef s GLU 109 CO 0.64 0.35 1.25 0.50 0.02 0.00 0.00 175.26 178.02 2eef s ARG 110 N -0.80 2.28 -0.13 1.61 3.52 -1.26 -4.82 118.95 119.34 2eef s ARG 110 Ca 0.06 1.93 -0.05 0.00 -0.13 0.00 0.00 55.73 57.54 2eef s ARG 110 Cb -0.08 -1.83 0.07 0.00 -1.56 0.00 0.00 34.95 31.55 2eef s ARG 110 CO 0.01 -1.77 0.28 1.41 -0.81 0.00 0.00 175.30 174.41 2eef s MET 111 N -3.65 0.17 0.27 5.12 -2.45 -1.26 -2.94 119.30 114.56 2eef s MET 111 Ca 0.79 0.76 -0.11 0.00 -1.25 0.00 0.00 55.69 55.88 2eef s MET 111 Cb -0.34 -0.00 -0.00 0.00 1.25 0.00 0.00 34.83 35.74 2eef s MET 111 CO 0.43 -0.27 0.48 -1.21 1.05 0.00 0.00 175.02 175.50 2eef s GLU 112 N 2.33 1.63 -0.05 4.11 2.02 -1.02 -2.46 118.70 125.26 2eef s GLU 112 Ca -0.00 -1.35 -0.11 0.00 0.02 0.00 0.00 54.97 53.54 2eef s GLU 112 Cb -0.12 0.47 0.02 0.00 0.10 0.00 0.00 34.13 34.60 2eef s GLU 112 CO -0.09 -0.68 0.25 -0.59 0.02 0.00 0.00 175.26 174.17 2eef s PHE 113 N -3.79 -0.18 -0.06 1.61 -0.12 -1.21 -0.43 117.98 113.80 2eef s PHE 113 Ca 0.24 0.36 0.02 0.00 -0.05 0.00 0.00 56.93 57.50 2eef s PHE 113 Cb -0.01 0.06 0.02 0.00 -0.63 0.00 0.00 43.02 42.46 2eef s PHE 113 CO 0.11 -0.26 -0.09 0.00 -0.05 0.00 0.00 175.22 174.93 2eef s ALA 114 N -0.71 1.05 0.30 1.99 0.00 -0.36 -3.78 121.76 120.26 2eef s ALA 114 Ca -0.08 -0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.29 2eef s ALA 114 Cb -0.04 -0.55 -0.11 0.00 0.00 0.00 0.00 23.12 22.42 2eef s ALA 114 CO 0.02 0.01 1.48 0.08 0.00 0.00 0.00 175.76 177.35 2eef s VAL 115 N 0.88 2.35 -0.34 0.00 1.01 -1.06 -2.92 120.40 120.31 2eef s VAL 115 Ca -0.11 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.21 2eef s VAL 115 Cb -0.15 -3.20 0.10 0.00 0.00 0.00 0.00 36.38 33.13 2eef s VAL 115 CO 0.01 0.06 0.07 -0.47 0.00 0.00 0.00 175.10 174.77 2eef s TYR 116 N -0.43 3.33 -0.37 5.22 5.04 -1.09 -2.37 117.35 126.68 2eef s TYR 116 Ca 0.57 -2.75 -0.10 0.00 -2.44 0.00 0.00 57.07 52.36 2eef s TYR 116 Cb -0.44 -2.67 0.03 0.00 0.35 0.00 0.00 41.96 39.23 2eef s TYR 116 CO 0.51 -0.93 0.18 -0.47 -1.34 0.00 0.00 175.55 173.50 2eef s TYR 117 N 1.01 3.25 -0.12 4.97 5.04 -0.71 -2.40 117.35 128.40 2eef s TYR 117 Ca 0.11 -1.12 -0.08 0.00 -2.44 0.00 0.00 57.07 53.54 2eef s TYR 117 Cb -0.19 -2.42 -0.04 0.00 0.35 0.00 0.00 41.96 39.66 2eef s TYR 117 CO -0.11 -0.68 0.16 -2.00 -1.34 0.00 0.00 175.55 171.58 2eef s GLU 118 N 1.51 3.57 -0.21 4.97 2.12 -0.63 -1.43 118.70 128.59 2eef s GLU 118 Ca 0.01 -0.10 -0.29 0.00 0.36 0.00 0.00 54.97 54.95 2eef s GLU 118 Cb -0.19 -3.22 0.15 0.00 0.26 0.00 0.00 34.13 31.12 2eef s GLU 118 CO 0.05 0.71 1.11 0.00 -0.54 0.00 0.00 175.26 176.60 2eef n ASN 120 N 0.93 -1.71 -3.34 0.00 3.02 -1.26 0.51 115.26 113.40 2eef n ASN 120 Ca -0.08 -1.10 -0.23 0.00 -0.03 0.00 0.00 54.58 53.13 2eef n ASN 120 Cb 0.58 -2.41 0.06 0.00 -0.61 0.00 0.00 39.78 37.40 2eef n ASN 120 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eef n GLY 121 N -1.65 -0.54 3.28 7.41 0.00 -1.26 -5.00 105.19 107.44 2eef n GLY 121 Ca -0.06 0.20 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 2eef n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eef s GLN 122 N -6.04 1.20 -0.12 1.61 -0.21 0.18 -5.15 119.66 111.12 2eef s GLN 122 Ca 0.46 -1.58 -0.03 0.00 0.02 0.00 0.00 55.36 54.23 2eef s GLN 122 Cb -0.20 -0.45 0.04 0.00 1.00 0.00 0.00 33.01 33.40 2eef s GLN 122 CO 0.57 -0.09 0.04 0.99 -2.12 0.00 0.00 175.29 174.67 2eef s THR 123 N -3.52 0.24 -0.16 -0.19 2.01 -1.26 -1.91 115.64 110.85 2eef s THR 123 Ca 0.25 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 62.12 2eef s THR 123 Cb 0.05 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 2eef s THR 123 CO 0.05 -0.00 -0.00 -0.31 -0.69 0.00 0.00 174.62 173.67 2eef s TYR 124 N 2.01 3.10 -0.18 4.92 2.02 -0.52 -4.97 117.35 123.74 2eef s TYR 124 Ca 0.03 -0.17 -0.03 0.00 -0.37 0.00 0.00 57.07 56.53 2eef s TYR 124 Cb -0.14 -1.99 -0.01 0.00 -0.40 0.00 0.00 41.96 39.41 2eef s TYR 124 CO -0.06 0.04 -0.07 -1.58 -1.57 0.00 0.00 175.55 172.30 2eef s TRP 125 N 0.34 2.93 -0.36 2.71 0.52 -1.26 -1.74 118.94 122.08 2eef s TRP 125 Ca -0.02 -0.69 0.02 0.00 0.02 0.00 0.00 56.10 55.44 2eef s TRP 125 Cb -0.14 -1.99 0.10 0.00 -1.15 0.00 0.00 33.47 30.30 2eef s TRP 125 CO 0.02 -0.32 0.09 0.34 0.02 0.00 0.00 176.95 177.10 2eef s ASP 126 N 0.85 4.88 -0.22 2.95 2.15 -1.00 -4.95 116.67 121.33 2eef s ASP 126 Ca -0.02 -2.13 -0.02 0.00 0.43 0.00 0.00 52.55 50.81 2eef s ASP 126 Cb -0.15 -1.68 0.07 0.00 -0.30 0.00 0.00 42.92 40.86 2eef s ASP 126 CO 0.01 -0.42 0.03 -0.94 -0.17 0.00 0.00 175.17 173.68 2eef s SER 127 N 1.11 3.30 0.00 -0.34 1.04 -1.26 -2.57 113.70 114.99 2eef s SER 127 Ca 0.10 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.50 2eef s SER 127 Cb -0.20 -0.77 0.00 0.00 0.10 0.00 0.00 66.02 65.15 2eef s SER 127 CO -0.07 -0.31 0.00 0.59 0.98 0.00 0.00 173.24 174.43 2eef n ASN 128 N 4.93 -0.76 -2.71 7.02 4.13 -1.26 -0.91 115.26 125.70 2eef n ASN 128 Ca -0.09 0.38 -0.14 0.00 1.68 0.00 0.00 54.58 56.41 2eef n ASN 128 Cb 0.46 -0.82 -0.03 0.00 -1.54 0.00 0.00 39.78 37.85 2eef n ASN 128 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 2eef n ARG 129 N -2.01 -1.66 0.00 3.52 1.85 -1.26 -4.21 116.66 112.88 2eef n ARG 129 Ca 0.00 0.05 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 2eef n ARG 129 Cb 0.38 -3.24 0.00 0.00 -1.05 0.00 0.00 32.46 28.55 2eef n ARG 129 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2eef n GLY 130 N -0.60 -1.12 0.00 2.89 0.00 -0.08 -5.08 105.19 101.19 2eef n GLY 130 Ca 0.04 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2eef n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eef n LYS 131 N 0.00 0.00 -3.61 1.61 5.02 -1.26 -5.00 118.16 114.92 2eef n LYS 131 Ca 0.00 0.10 -0.04 0.00 -2.02 0.00 0.00 58.31 56.34 2eef n LYS 131 Cb 0.00 -0.44 -0.02 0.00 -0.02 0.00 0.00 35.03 34.55 2eef n LYS 131 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2eef s ASN 132 N -2.04 -0.12 -0.65 4.39 2.20 -1.26 -4.86 114.94 112.60 2eef s ASN 132 Ca 0.00 0.03 -0.26 0.00 -0.94 0.00 0.00 52.86 51.69 2eef s ASN 132 Cb 0.00 0.12 -0.03 0.00 -2.00 0.00 0.00 41.25 39.34 2eef s ASN 132 CO 0.00 -0.19 1.94 -0.31 -2.94 0.00 0.00 177.10 175.61 2eef s TYR 133 N -2.09 1.61 0.09 1.54 2.02 -1.25 -4.63 117.35 114.63 2eef s TYR 133 Ca 0.09 0.87 -0.30 0.00 -0.37 0.00 0.00 57.07 57.36 2eef s TYR 133 Cb -0.01 -4.02 -0.05 0.00 -0.40 0.00 0.00 41.96 37.48 2eef s TYR 133 CO -0.04 -2.23 1.04 0.50 -1.57 0.00 0.00 175.55 173.25 2eef s ARG 134 N 7.21 4.59 -0.31 -0.62 6.06 -1.26 -3.31 118.95 131.30 2eef s ARG 134 Ca 0.71 1.56 0.02 0.00 -2.50 0.00 0.00 55.73 55.53 2eef s ARG 134 Cb -0.12 -3.37 0.09 0.00 0.06 0.00 0.00 34.95 31.61 2eef s ARG 134 CO 0.17 0.02 0.04 0.42 -2.50 0.00 0.00 175.30 173.45 2eef s ILE 135 N 0.42 1.77 0.37 4.11 1.01 -1.03 -2.69 121.20 125.16 2eef s ILE 135 Ca 0.51 -1.87 0.08 0.00 0.00 0.00 0.00 60.65 59.37 2eef s ILE 135 Cb -0.25 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 2eef s ILE 135 CO 0.30 -0.50 0.19 0.27 0.00 0.00 0.00 174.94 175.20 2eef s ILE 136 N 1.19 2.83 0.95 2.92 -4.36 -1.05 -4.70 121.20 118.97 2eef s ILE 136 Ca 0.07 -1.62 -0.12 0.00 -0.26 0.00 0.00 60.65 58.71 2eef s ILE 136 Cb -0.19 -3.00 0.16 0.00 1.25 0.00 0.00 42.46 40.68 2eef s ILE 136 CO -0.12 -0.11 1.10 -0.60 0.24 0.00 0.00 174.94 175.44 2eef s ARG 137 N -3.91 0.85 0.23 0.37 3.52 -1.26 -0.29 118.95 118.47 2eef s ARG 137 Ca 0.40 0.61 0.03 0.00 -0.13 0.00 0.00 55.73 56.64 2eef s ARG 137 Cb -0.01 -1.78 0.23 0.00 -1.56 0.00 0.00 34.95 31.83 2eef s ARG 137 CO 0.24 -2.46 1.55 0.00 -0.81 0.00 0.00 175.30 173.81 2eef h ALA 138 N -1.70 0.82 -0.63 6.12 0.00 -1.71 -3.00 119.26 119.16 2eef h ALA 138 Ca -0.52 -0.53 0.18 0.00 0.00 0.00 0.00 54.91 54.04 2eef h ALA 138 Cb 1.31 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2eef h ALA 138 CO 0.57 0.71 0.52 1.05 0.00 0.00 0.00 179.25 182.10 2eef h GLU 139 N 0.23 0.00 0.01 0.00 4.11 -1.93 -1.60 114.58 115.40 2eef h GLU 139 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 2eef h GLU 139 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2eef h GLU 139 CO 0.10 0.00 -0.59 -0.07 0.07 0.00 0.00 179.01 178.52 2eef h LEU 140 N 0.00 0.04 -7.12 3.06 3.38 -1.91 -3.40 115.31 109.37 2eef h LEU 140 Ca 0.30 -0.81 -0.75 0.00 0.09 0.00 0.00 57.88 56.71 2eef h LEU 140 Cb 1.33 -0.01 -0.32 0.00 0.09 0.00 0.00 40.66 41.75 2eef h LEU 140 CO -0.00 1.24 0.29 1.17 0.09 0.00 0.00 178.44 181.22 2eef n LYS 141 N -4.48 3.49 -2.18 1.13 3.00 -0.64 -5.04 118.16 113.44 2eef n LYS 141 Ca -0.19 -4.52 -0.27 0.00 -0.00 0.00 0.00 58.31 53.32 2eef n LYS 141 Cb 0.59 -2.46 0.15 0.00 0.00 0.00 0.00 35.03 33.31 2eef n LYS 141 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2eef s SER 142 N -0.57 3.65 0.83 3.14 0.01 -0.99 -4.78 113.70 114.99 2eef s SER 142 Ca 0.31 0.06 -0.11 0.00 1.31 0.00 0.00 55.95 57.52 2eef s SER 142 Cb -0.01 -0.26 0.09 0.00 0.21 0.00 0.00 66.02 66.05 2eef s SER 142 CO -0.02 -2.36 1.10 0.42 0.41 0.00 0.00 173.24 172.78 2eef s THR 143 N -3.59 2.95 -0.55 1.44 -4.23 -1.26 -5.00 115.64 105.40 2eef s THR 143 Ca 0.70 0.31 -0.07 0.00 -1.18 0.00 0.00 61.69 61.45 2eef s THR 143 Cb -0.05 -2.72 0.14 0.00 1.34 0.00 0.00 72.50 71.21 2eef s THR 143 CO 0.49 -0.40 0.40 -1.58 -0.54 0.00 0.00 174.62 172.99 2eef s GLN 144 N -4.87 2.57 0.36 3.99 2.00 -1.26 -5.05 119.66 117.40 2eef s GLN 144 Ca 0.63 -2.06 0.00 0.00 -2.00 0.00 0.00 55.36 51.93 2eef s GLN 144 Cb -0.18 -3.89 0.00 0.00 0.80 0.00 0.00 33.01 29.74 2eef s GLN 144 CO 0.57 -1.18 0.00 0.41 -0.50 0.00 0.00 175.29 174.58 2eef n GLY 145 N 4.38 0.72 3.62 2.59 0.00 -1.26 -4.61 105.19 110.62 2eef n GLY 145 Ca -0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 2eef n GLY 145 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2eef s MET 146 N 0.00 0.44 0.32 1.61 -2.45 -1.26 -4.87 119.30 113.09 2eef s MET 146 Ca 0.00 1.23 -0.16 0.00 -1.25 0.00 0.00 55.69 55.52 2eef s MET 146 Cb 0.00 -1.68 -0.12 0.00 1.25 0.00 0.00 34.83 34.28 2eef s MET 146 CO 0.00 -2.92 0.03 -2.37 1.05 0.00 0.00 175.02 170.81 2eef n THR 147 N -4.41 0.38 -3.35 10.11 5.66 -1.26 -4.90 114.28 116.51 2eef n THR 147 Ca 0.08 -0.38 -0.34 0.00 -3.05 0.00 0.00 64.05 60.36 2eef n THR 147 Cb 0.53 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.25 2eef n THR 147 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2eef s LYS 148 N -0.76 3.95 0.47 1.09 -0.14 -1.26 -5.06 119.74 118.03 2eef s LYS 148 Ca 0.45 0.47 -0.22 0.00 -1.36 0.00 0.00 55.97 55.30 2eef s LYS 148 Cb -0.46 -2.83 -0.07 0.00 -1.68 0.00 0.00 37.83 32.79 2eef s LYS 148 CO 0.48 0.42 1.16 -1.25 -0.76 0.00 0.00 175.35 175.40 2eef s PRO 149 N -2.23 3.69 0.10 -1.68 0.04 -1.26 -5.05 135.00 128.60 2eef s PRO 149 Ca 0.41 1.74 0.06 0.00 0.04 0.00 0.00 61.00 63.26 2eef s PRO 149 Cb -0.14 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 2eef s PRO 149 CO 0.20 -0.60 -0.07 -3.38 0.04 0.00 0.00 177.00 173.18 2eef s HIS 150 N -1.59 2.81 0.26 0.56 -3.43 -1.26 -5.10 115.29 107.54 2eef s HIS 150 Ca 0.65 -0.12 -0.30 0.00 -0.80 0.00 0.00 55.06 54.50 2eef s HIS 150 Cb -0.28 -1.46 -0.09 0.00 -1.43 0.00 0.00 32.58 29.32 2eef s HIS 150 CO 0.33 0.44 1.10 -1.12 -2.00 0.00 0.00 174.74 173.50 2eef s SER 151 N -2.24 7.27 0.00 7.38 0.01 -1.26 -5.05 113.70 119.81 2eef s SER 151 Ca 0.23 2.24 0.00 0.00 1.31 0.00 0.00 55.95 59.72 2eef s SER 151 Cb -0.11 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2eef s SER 151 CO 0.15 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2eef n GLY 152 N 1.36 3.05 0.00 3.44 0.00 -1.26 -4.94 105.19 106.84 2eef n GLY 152 Ca -0.00 -1.86 0.02 0.00 0.00 0.00 0.00 46.02 44.17 2eef n GLY 152 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eef n PRO 153 N 0.00 0.49 -0.74 1.61 -0.04 -1.26 -4.09 135.00 130.97 2eef n PRO 153 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 2eef n PRO 153 Cb 0.00 -1.10 -0.12 0.00 -0.04 0.00 0.00 33.50 32.25 2eef n PRO 153 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2eef n ASP 154 N -0.60 4.21 -3.69 3.54 2.03 -1.26 -4.69 116.55 116.10 2eef n ASP 154 Ca 0.02 -2.26 -0.27 0.00 0.52 0.00 0.00 54.79 52.80 2eef n ASP 154 Cb 0.01 -1.10 -0.06 0.00 -0.72 0.00 0.00 41.12 39.25 2eef n ASP 154 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2eef n LEU 155 N 2.45 -0.62 0.00 -2.67 4.32 -1.26 -5.17 117.00 114.05 2eef n LEU 155 Ca 0.29 -0.88 0.00 0.00 -0.02 0.00 0.00 56.01 55.40 2eef n LEU 155 Cb 0.69 -1.12 0.00 0.00 -1.62 0.00 0.00 43.42 41.37 2eef n LEU 155 CO 0.12 0.17 0.00 0.61 -1.22 0.00 0.00 177.39 177.07