#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2t n ILE 2 N 0.00 0.22 -4.00 2.02 2.08 -1.26 -4.88 119.36 113.53 2i2t n ILE 2 Ca 0.00 -0.07 -0.31 0.00 0.56 0.00 0.00 62.75 62.93 2i2t n ILE 2 Cb 0.00 -1.15 -0.15 0.00 -0.75 0.00 0.00 39.64 37.59 2i2t n ILE 2 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2i2t s ARG 3 N -2.07 1.50 0.32 0.38 3.03 -1.26 -5.09 118.95 115.75 2i2t s ARG 3 Ca -0.05 -1.77 -0.25 0.00 2.03 0.00 0.00 55.73 55.69 2i2t s ARG 3 Cb 0.02 -3.09 -0.15 0.00 -1.03 0.00 0.00 34.95 30.70 2i2t s ARG 3 CO 0.08 -0.91 0.51 0.39 -1.13 0.00 0.00 175.30 174.24 2i2t n GLU 4 N 4.31 0.37 0.14 3.89 -0.58 -1.26 -4.81 120.64 122.70 2i2t n GLU 4 Ca 0.02 0.13 0.12 0.00 -0.42 0.00 0.00 57.16 57.01 2i2t n GLU 4 Cb 0.42 -1.27 0.52 0.00 -0.57 0.00 0.00 31.44 30.53 2i2t n GLU 4 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2i2t n GLU 5 N 0.91 0.19 0.13 3.49 0.28 -1.26 -0.97 120.64 123.41 2i2t n GLU 5 Ca 0.13 0.47 0.17 0.00 -0.16 0.00 0.00 57.16 57.78 2i2t n GLU 5 Cb 0.33 -1.90 0.75 0.00 1.43 0.00 0.00 31.44 32.06 2i2t n GLU 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2i2t h ARG 6 N 0.00 0.00 -1.18 3.44 3.08 -2.05 0.22 114.38 117.89 2i2t h ARG 6 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 2i2t h ARG 6 Cb 0.29 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.93 2i2t h ARG 6 CO 0.00 0.00 -0.59 -0.11 -1.07 0.00 0.00 179.97 178.20 2i2t n LEU 7 N -4.08 5.12 -2.40 3.04 -0.00 -0.14 -4.75 117.00 113.79 2i2t n LEU 7 Ca 0.04 -4.94 -0.22 0.00 -0.00 0.00 0.00 56.01 50.89 2i2t n LEU 7 Cb 0.42 -0.47 0.01 0.00 -0.00 0.00 0.00 43.42 43.39 2i2t n LEU 7 CO 0.31 2.12 0.13 -0.11 -0.00 0.00 0.00 177.39 179.84 2i2t n LEU 8 N -0.61 4.12 -3.06 -1.96 0.00 0.79 -4.80 117.00 111.48 2i2t n LEU 8 Ca 0.43 -4.74 -0.36 0.00 0.00 0.00 0.00 56.01 51.35 2i2t n LEU 8 Cb 0.77 -0.24 0.01 0.00 0.00 0.00 0.00 43.42 43.96 2i2t n LEU 8 CO 0.40 2.03 1.05 2.29 0.00 0.00 0.00 177.39 183.15 2i2t n LYS 9 N -0.50 3.77 -0.09 1.96 0.00 -1.26 -4.66 118.16 117.38 2i2t n LYS 9 Ca 0.34 -4.26 -0.15 0.00 -0.00 0.00 0.00 58.31 54.24 2i2t n LYS 9 Cb 0.78 -2.32 -0.09 0.00 -0.00 0.00 0.00 35.03 33.40 2i2t n LYS 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2i2t h VAL 10 N 2.32 0.76 -2.60 0.58 2.07 -1.89 -3.45 116.25 114.04 2i2t h VAL 10 Ca 0.44 -1.85 -0.53 0.00 0.82 0.00 0.00 66.70 65.58 2i2t h VAL 10 Cb 0.35 1.72 0.02 0.00 -1.52 0.00 0.00 31.29 31.86 2i2t h VAL 10 CO 1.16 0.26 1.07 -0.76 0.02 0.00 0.00 177.57 179.31 2i2t s LEU 11 N -8.05 4.37 0.00 2.57 2.01 -1.26 -1.01 118.68 117.31 2i2t s LEU 11 Ca -0.22 2.49 0.00 0.00 0.01 0.00 0.00 54.13 56.41 2i2t s LEU 11 Cb 0.03 -3.55 0.00 0.00 0.01 0.00 0.00 46.19 42.68 2i2t s LEU 11 CO 0.48 -0.94 0.00 0.54 1.01 0.00 0.00 176.35 177.44 2i2t n ARG 12 N 6.25 3.04 0.00 1.70 1.74 -0.46 -4.90 116.66 124.03 2i2t n ARG 12 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2i2t n ARG 12 Cb 0.41 -0.71 0.00 0.00 -1.02 0.00 0.00 32.46 31.14 2i2t n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2i2t n ALA 13 N -1.07 0.00 -2.52 7.54 0.00 -0.82 -4.98 120.51 118.66 2i2t n ALA 13 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2i2t n ALA 13 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2i2t n ALA 13 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2i2t s PRO 14 N -1.54 4.41 0.14 0.00 0.04 -1.26 0.19 135.00 136.98 2i2t s PRO 14 Ca 0.00 0.89 -0.18 0.00 0.04 0.00 0.00 61.00 61.75 2i2t s PRO 14 Cb 0.00 -3.38 0.01 0.00 0.04 0.00 0.00 34.50 31.17 2i2t s PRO 14 CO 0.00 0.25 1.75 1.25 0.04 0.00 0.00 177.00 180.29 2i2t h HIS 15 N 5.96 0.15 -3.28 0.56 2.76 -1.91 -3.45 115.15 115.93 2i2t h HIS 15 Ca -0.44 0.01 -0.25 0.00 -2.20 0.00 0.00 60.37 57.50 2i2t h HIS 15 Cb 1.20 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 30.10 2i2t h HIS 15 CO 0.65 0.06 -0.29 0.28 -1.30 0.00 0.00 177.93 177.33 2i2t n VAL 16 N -5.05 -0.45 -4.00 5.26 0.31 -1.26 -4.91 118.33 108.23 2i2t n VAL 16 Ca -0.01 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.98 2i2t n VAL 16 Cb 0.10 -1.61 -0.15 0.00 -0.91 0.00 0.00 33.84 31.28 2i2t n VAL 16 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2i2t s SER 17 N -2.03 4.18 0.00 4.52 0.01 -1.26 -5.03 113.70 114.08 2i2t s SER 17 Ca 0.00 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.33 2i2t s SER 17 Cb 0.00 -1.62 0.00 0.00 0.21 0.00 0.00 66.02 64.61 2i2t s SER 17 CO 0.00 -0.12 0.00 -0.62 0.41 0.00 0.00 173.24 172.91 2i2t n GLU 18 N 4.62 0.00 -1.16 12.44 1.02 -1.26 -3.76 120.64 132.54 2i2t n GLU 18 Ca -0.17 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 56.92 2i2t n GLU 18 Cb 0.47 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.85 2i2t n GLU 18 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2i2t n LYS 19 N -0.11 0.03 0.00 3.49 4.81 -1.26 -2.73 118.16 122.39 2i2t n LYS 19 Ca 0.00 -0.54 0.00 0.00 -0.87 0.00 0.00 58.31 56.90 2i2t n LYS 19 Cb 0.00 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.13 2i2t n LYS 19 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2i2t n ALA 20 N 9.23 0.00 0.19 3.14 0.00 -1.26 -4.66 120.51 127.15 2i2t n ALA 20 Ca 0.14 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.74 2i2t n ALA 20 Cb 0.47 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.72 2i2t n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2i2t h SER 21 N 0.00 0.00 0.00 0.00 4.64 -1.60 0.83 113.55 117.42 2i2t h SER 21 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 2i2t h SER 21 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2i2t h SER 21 CO 0.00 0.00 -1.57 0.35 -0.87 0.00 0.00 176.83 174.74 2i2t n THR 22 N -3.98 1.19 -0.15 2.95 -2.24 -1.20 -4.29 114.28 106.57 2i2t n THR 22 Ca 0.02 -0.09 -0.04 0.00 -2.27 0.00 0.00 64.05 61.67 2i2t n THR 22 Cb 0.32 -1.89 0.03 0.00 -2.10 0.00 0.00 70.33 66.68 2i2t n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i2t h ALA 23 N -0.69 0.22 -0.71 6.98 0.00 -1.70 0.16 119.26 123.51 2i2t h ALA 23 Ca -0.31 0.17 -0.72 0.00 0.00 0.00 0.00 54.91 54.05 2i2t h ALA 23 Cb 1.16 0.45 -0.15 0.00 0.00 0.00 0.00 17.79 19.24 2i2t h ALA 23 CO -0.19 -0.50 1.98 -1.33 0.00 0.00 0.00 179.25 179.21 2i2t n MET 24 N -5.38 4.43 0.00 0.00 2.81 0.29 -2.85 117.12 116.42 2i2t n MET 24 Ca 0.04 -3.49 0.00 0.00 -1.81 0.00 0.00 57.70 52.44 2i2t n MET 24 Cb 0.28 -2.55 0.00 0.00 -0.71 0.00 0.00 33.22 30.25 2i2t n MET 24 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2i2t n GLU 25 N 1.35 0.00 -0.03 0.03 4.07 0.44 -4.19 120.64 122.31 2i2t n GLU 25 Ca 0.59 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 57.58 2i2t n GLU 25 Cb 0.28 -0.26 -0.05 0.00 -0.06 0.00 0.00 31.44 31.35 2i2t n GLU 25 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2i2t h LYS 26 N 0.00 0.20 -0.05 5.31 1.79 -1.10 -2.87 116.57 119.84 2i2t h LYS 26 Ca 0.00 -0.03 -0.24 0.00 -2.18 0.00 0.00 60.65 58.20 2i2t h LYS 26 Cb 0.00 -0.03 0.02 0.00 -1.58 0.00 0.00 32.23 30.63 2i2t h LYS 26 CO 0.00 0.28 -0.89 1.03 -1.08 0.00 0.00 179.45 178.79 2i2t h SER 27 N 0.07 0.87 -0.23 0.86 0.87 -1.84 -3.50 113.55 110.66 2i2t h SER 27 Ca 0.05 -0.70 0.00 0.00 -1.23 0.00 0.00 61.79 59.90 2i2t h SER 27 Cb 0.15 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2i2t h SER 27 CO -0.00 1.45 0.00 -0.46 -0.53 0.00 0.00 176.83 177.29 2i2t n ASN 28 N -3.94 0.00 -1.63 6.23 6.94 -1.08 -5.13 115.26 116.64 2i2t n ASN 28 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.46 2i2t n ASN 28 Cb 0.80 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.22 2i2t n ASN 28 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 2i2t n THR 29 N 9.00 -3.49 -4.22 5.53 -2.24 -1.26 -1.37 114.28 116.22 2i2t n THR 29 Ca 0.00 1.70 -0.20 0.00 -2.27 0.00 0.00 64.05 63.28 2i2t n THR 29 Cb 0.00 -2.68 -0.16 0.00 -2.10 0.00 0.00 70.33 65.39 2i2t n THR 29 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2i2t s ILE 30 N -5.06 0.58 0.19 2.28 2.07 -1.26 -3.79 121.20 116.21 2i2t s ILE 30 Ca 0.00 -0.18 0.06 0.00 -1.41 0.00 0.00 60.65 59.12 2i2t s ILE 30 Cb 0.00 -0.57 -0.04 0.00 0.13 0.00 0.00 42.46 41.98 2i2t s ILE 30 CO 0.00 0.22 0.10 0.68 -1.91 0.00 0.00 174.94 174.03 2i2t s VAL 31 N 0.67 4.24 -0.29 4.00 -7.23 -1.26 0.94 120.40 121.47 2i2t s VAL 31 Ca -0.09 -1.26 -0.25 0.00 -1.81 0.00 0.00 61.98 58.57 2i2t s VAL 31 Cb -0.12 -3.18 0.16 0.00 0.56 0.00 0.00 36.38 33.79 2i2t s VAL 31 CO 0.00 -0.16 1.25 -1.48 -0.31 0.00 0.00 175.10 174.40 2i2t s LEU 32 N -3.21 -0.24 -0.16 1.32 2.34 -1.26 -3.91 118.68 113.56 2i2t s LEU 32 Ca 0.30 0.45 -0.33 0.00 0.06 0.00 0.00 54.13 54.62 2i2t s LEU 32 Cb -0.09 1.46 -0.10 0.00 -0.56 0.00 0.00 46.19 46.90 2i2t s LEU 32 CO 0.22 -0.08 2.03 1.17 -1.06 0.00 0.00 176.35 178.64 2i2t n LYS 33 N 1.91 1.97 -3.89 1.48 4.81 0.51 -2.20 118.16 122.75 2i2t n LYS 33 Ca -0.11 0.66 -0.30 0.00 -0.87 0.00 0.00 58.31 57.68 2i2t n LYS 33 Cb 0.56 -2.78 -0.15 0.00 0.02 0.00 0.00 35.03 32.68 2i2t n LYS 33 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2i2t s VAL 34 N 5.77 1.61 0.00 3.15 -7.23 -1.12 -1.36 120.40 121.23 2i2t s VAL 34 Ca 0.98 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 2i2t s VAL 34 Cb -0.62 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.16 2i2t s VAL 34 CO 0.47 -0.57 0.00 0.00 -0.31 0.00 0.00 175.10 174.68 2i2t n ALA 35 N 4.55 0.00 0.00 1.32 0.00 -0.18 -4.33 120.51 121.86 2i2t n ALA 35 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2i2t n ALA 35 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2i2t n ALA 35 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2i2t n LYS 36 N 12.37 0.00 0.33 0.00 0.00 -1.26 -3.92 118.16 125.68 2i2t n LYS 36 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 58.31 58.51 2i2t n LYS 36 Cb 0.00 0.00 1.04 0.00 0.00 0.00 0.00 35.03 36.07 2i2t n LYS 36 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2i2t h ASP 37 N 0.00 0.00 -1.31 3.14 3.45 -1.99 -3.47 116.42 116.25 2i2t h ASP 37 Ca 0.00 0.00 0.09 0.00 0.43 0.00 0.00 57.03 57.55 2i2t h ASP 37 Cb 0.00 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 2i2t h ASP 37 CO 0.00 0.00 -0.12 0.00 -1.57 0.00 0.00 179.24 177.55 2i2t n ALA 38 N -2.01 -0.93 0.00 3.45 0.00 -1.26 -5.01 120.51 114.75 2i2t n ALA 38 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2i2t n ALA 38 Cb 0.21 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.35 2i2t n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2i2t n THR 39 N -2.15 0.00 -1.38 0.00 5.66 -1.26 -4.89 114.28 110.26 2i2t n THR 39 Ca 0.00 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.86 2i2t n THR 39 Cb 0.15 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.86 2i2t n THR 39 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2i2t n LYS 40 N 0.00 -1.46 0.15 1.09 4.81 -1.26 -4.45 118.16 117.04 2i2t n LYS 40 Ca 0.00 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 2i2t n LYS 40 Cb 0.00 -5.18 0.00 0.00 0.02 0.00 0.00 35.03 29.87 2i2t n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2i2t n ALA 41 N 0.90 2.19 1.23 3.14 0.00 -1.26 -4.71 120.51 121.99 2i2t n ALA 41 Ca -0.14 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.35 2i2t n ALA 41 Cb 0.53 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.27 2i2t n ALA 41 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2i2t n GLU 42 N -3.36 0.61 -0.08 0.00 0.28 -1.26 0.09 120.64 116.92 2i2t n GLU 42 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.89 2i2t n GLU 42 Cb 0.00 -1.25 -0.15 0.00 1.43 0.00 0.00 31.44 31.47 2i2t n GLU 42 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 2i2t n ILE 43 N -0.75 1.47 -0.03 3.84 3.06 -1.26 -3.43 119.36 122.26 2i2t n ILE 43 Ca 0.07 -0.80 -0.08 0.00 -2.50 0.00 0.00 62.75 59.44 2i2t n ILE 43 Cb 0.03 -0.77 -0.07 0.00 0.54 0.00 0.00 39.64 39.37 2i2t n ILE 43 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 2i2t h LYS 44 N 0.00 -0.06 0.00 9.51 3.64 -0.65 -2.86 116.57 126.15 2i2t h LYS 44 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2i2t h LYS 44 Cb 2.14 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.98 2i2t h LYS 44 CO 0.02 0.44 0.00 0.00 -2.27 0.00 0.00 179.45 177.65 2i2t n ALA 45 N -2.65 1.70 -0.11 5.00 0.00 0.11 -0.57 120.51 123.98 2i2t n ALA 45 Ca -0.06 -0.02 -0.24 0.00 0.00 0.00 0.00 53.44 53.13 2i2t n ALA 45 Cb 0.26 -1.04 -0.11 0.00 0.00 0.00 0.00 19.45 18.56 2i2t n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2t n ALA 46 N -0.72 1.18 0.81 0.00 0.00 -1.14 -3.88 120.51 116.77 2i2t n ALA 46 Ca 0.02 -0.96 0.13 0.00 0.00 0.00 0.00 53.44 52.62 2i2t n ALA 46 Cb 0.01 -0.14 0.52 0.00 0.00 0.00 0.00 19.45 19.84 2i2t n ALA 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2i2t n VAL 47 N -3.85 0.33 0.00 0.00 0.31 0.26 -2.49 118.33 112.89 2i2t n VAL 47 Ca -0.46 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 2i2t n VAL 47 Cb 0.91 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 2i2t n VAL 47 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2i2t n GLN 48 N -1.70 0.00 0.13 5.55 1.13 -0.19 -2.33 117.38 119.96 2i2t n GLN 48 Ca 0.06 0.18 -0.10 0.00 -1.94 0.00 0.00 57.00 55.21 2i2t n GLN 48 Cb 0.33 -0.86 -0.05 0.00 0.11 0.00 0.00 30.24 29.76 2i2t n GLN 48 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2i2t h LYS 49 N 0.00 -0.48 -7.31 -1.09 1.79 -1.69 -2.82 116.57 104.97 2i2t h LYS 49 Ca 0.00 0.03 -0.50 0.00 -2.18 0.00 0.00 60.65 58.00 2i2t h LYS 49 Cb 0.00 0.11 0.07 0.00 -1.58 0.00 0.00 32.23 30.83 2i2t h LYS 49 CO 0.00 -0.32 0.39 -0.51 -1.08 0.00 0.00 179.45 177.93 2i2t s LEU 50 N -7.57 3.28 0.00 2.94 2.01 -1.04 -3.04 118.68 115.25 2i2t s LEU 50 Ca -0.09 1.58 0.00 0.00 0.01 0.00 0.00 54.13 55.62 2i2t s LEU 50 Cb 0.03 -4.49 0.00 0.00 0.01 0.00 0.00 46.19 41.73 2i2t s LEU 50 CO 0.32 -1.12 0.00 0.49 1.01 0.00 0.00 176.35 177.06 2i2t n PHE 51 N -2.66 0.00 -3.22 0.29 3.01 -1.26 -4.18 117.46 109.43 2i2t n PHE 51 Ca 0.07 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.38 2i2t n PHE 51 Cb 0.54 -0.08 0.01 0.00 -0.01 0.00 0.00 39.48 39.93 2i2t n PHE 51 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2i2t n GLU 52 N -0.53 -1.81 -2.04 -1.08 1.02 -1.08 -4.90 120.64 110.22 2i2t n GLU 52 Ca 0.00 1.54 -0.01 0.00 -0.02 0.00 0.00 57.16 58.67 2i2t n GLU 52 Cb 0.00 -4.36 -0.00 0.00 -0.02 0.00 0.00 31.44 27.06 2i2t n GLU 52 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2i2t n VAL 53 N -1.17 0.00 -0.03 2.62 0.31 -0.99 -5.01 118.33 114.06 2i2t n VAL 53 Ca -0.04 -0.08 -0.08 0.00 -0.01 0.00 0.00 64.34 64.12 2i2t n VAL 53 Cb 0.56 0.04 -0.03 0.00 -0.91 0.00 0.00 33.84 33.51 2i2t n VAL 53 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2i2t n GLU 54 N -0.02 0.20 -1.88 5.55 -0.58 -1.26 -4.52 120.64 118.13 2i2t n GLU 54 Ca 0.00 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 2i2t n GLU 54 Cb 0.02 -0.83 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 2i2t n GLU 54 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2i2t n VAL 55 N -3.54-12.22 -0.02 2.62 0.31 -1.26 -4.77 118.33 99.45 2i2t n VAL 55 Ca -0.15 3.02 -0.05 0.00 -0.01 0.00 0.00 64.34 67.15 2i2t n VAL 55 Cb 0.51 -5.14 -0.04 0.00 -0.91 0.00 0.00 33.84 28.26 2i2t n VAL 55 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2i2t h GLU 56 N 3.78 -0.07 0.00 5.55 4.81 -1.59 -3.40 114.58 123.66 2i2t h GLU 56 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2i2t h GLU 56 Cb 0.00 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2i2t h GLU 56 CO 0.00 0.22 0.00 1.55 -0.73 0.00 0.00 179.01 180.05 2i2t n VAL 57 N -4.79 0.00 -3.62 0.32 3.14 -1.23 -4.99 118.33 107.16 2i2t n VAL 57 Ca -0.04 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.31 2i2t n VAL 57 Cb 0.16 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.89 2i2t n VAL 57 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2i2t s VAL 58 N -1.07 -0.40 -0.12 1.55 0.11 -1.25 -4.47 120.40 114.75 2i2t s VAL 58 Ca 0.00 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.04 2i2t s VAL 58 Cb 0.00 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.88 2i2t s VAL 58 CO 0.00 0.00 -0.06 0.20 -3.33 0.00 0.00 175.10 171.91 2i2t s ASN 59 N 2.12 2.30 0.47 3.54 0.01 -1.21 -5.04 114.94 117.13 2i2t s ASN 59 Ca -0.08 -0.38 0.07 0.00 -0.71 0.00 0.00 52.86 51.76 2i2t s ASN 59 Cb -0.07 -0.81 0.00 0.00 0.41 0.00 0.00 41.25 40.78 2i2t s ASN 59 CO -0.19 -0.15 0.37 0.42 -1.51 0.00 0.00 177.10 176.05 2i2t s THR 60 N 1.72 2.22 -0.29 1.60 -4.23 -1.26 -4.05 115.64 111.36 2i2t s THR 60 Ca 0.04 -1.44 -0.16 0.00 -1.18 0.00 0.00 61.69 58.95 2i2t s THR 60 Cb -0.13 -2.66 0.13 0.00 1.34 0.00 0.00 72.50 71.18 2i2t s THR 60 CO -0.08 0.00 0.92 -1.48 -0.54 0.00 0.00 174.62 173.44 2i2t s LEU 61 N -4.17 -0.60 0.46 4.79 0.05 -1.22 -4.96 118.68 113.02 2i2t s LEU 61 Ca 0.43 0.94 -0.22 0.00 0.05 0.00 0.00 54.13 55.33 2i2t s LEU 61 Cb -0.02 1.86 -0.08 0.00 -2.05 0.00 0.00 46.19 45.90 2i2t s LEU 61 CO 0.25 -0.15 1.10 -0.69 -0.55 0.00 0.00 176.35 176.32 2i2t s VAL 62 N 1.48 3.41 -0.14 1.48 1.01 -1.26 -1.99 120.40 124.38 2i2t s VAL 62 Ca -0.09 1.01 0.01 0.00 0.00 0.00 0.00 61.98 62.91 2i2t s VAL 62 Cb -0.04 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.87 2i2t s VAL 62 CO -0.16 -0.06 -0.18 -0.69 0.00 0.00 0.00 175.10 174.01 2i2t s VAL 63 N -1.68 1.77 0.00 2.92 1.01 0.97 -4.94 120.40 120.44 2i2t s VAL 63 Ca 0.64 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.83 2i2t s VAL 63 Cb -0.24 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2i2t s VAL 63 CO 0.29 0.49 0.14 0.29 0.00 0.00 0.00 175.10 176.31 2i2t n LYS 64 N 4.37 0.00 0.00 2.72 4.01 -1.26 -2.04 118.16 125.96 2i2t n LYS 64 Ca -0.19 0.14 0.00 0.00 -0.51 0.00 0.00 58.31 57.74 2i2t n LYS 64 Cb 0.51 -0.57 0.00 0.00 -0.51 0.00 0.00 35.03 34.46 2i2t n LYS 64 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2i2t n GLY 65 N -0.29 0.62 3.69 0.72 0.00 -1.26 -3.46 105.19 105.21 2i2t n GLY 65 Ca 0.00 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 2i2t n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i2t s LYS 66 N -0.17 1.19 0.56 1.61 -2.85 -1.26 -4.41 119.74 114.41 2i2t s LYS 66 Ca 0.00 1.20 -0.16 0.00 -1.00 0.00 0.00 55.97 56.02 2i2t s LYS 66 Cb 0.00 -1.77 -0.06 0.00 -2.06 0.00 0.00 37.83 33.94 2i2t s LYS 66 CO 0.00 -2.40 1.02 0.54 0.10 0.00 0.00 175.35 174.61 2i2t s VAL 67 N -2.76 4.24 0.00 1.79 0.11 -1.26 -2.71 120.40 119.81 2i2t s VAL 67 Ca 0.65 1.03 0.00 0.00 -2.93 0.00 0.00 61.98 60.73 2i2t s VAL 67 Cb -0.20 -3.58 0.00 0.00 -1.53 0.00 0.00 36.38 31.06 2i2t s VAL 67 CO 0.58 -0.65 0.00 1.17 -3.33 0.00 0.00 175.10 172.87 2i2t n LYS 68 N -1.90 0.00 -0.08 1.54 3.00 0.38 -4.94 118.16 116.17 2i2t n LYS 68 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 2i2t n LYS 68 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.57 2i2t n LYS 68 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2i2t n ARG 69 N 0.00 0.00 0.00 1.64 3.00 -1.26 -2.53 116.66 117.51 2i2t n ARG 69 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2i2t n ARG 69 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 32.46 32.38 2i2t n ARG 69 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 2i2t n HIS 70 N -0.61 0.00 0.00 -0.14 1.44 -1.26 -4.50 115.22 110.15 2i2t n HIS 70 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2i2t n HIS 70 Cb 0.36 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.47 2i2t n HIS 70 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2i2t n GLY 71 N 0.00 -1.58 0.26 -1.39 0.00 -1.26 -4.51 105.19 96.71 2i2t n GLY 71 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.04 2i2t n GLY 71 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2i2t h GLN 72 N 0.00 0.40 -7.27 1.61 3.07 -2.03 -3.40 115.11 107.49 2i2t h GLN 72 Ca 0.00 -0.02 -0.49 0.00 0.09 0.00 0.00 58.65 58.23 2i2t h GLN 72 Cb 0.00 -0.09 0.04 0.00 0.08 0.00 0.00 27.48 27.51 2i2t h GLN 72 CO 0.00 0.27 0.39 1.03 0.09 0.00 0.00 178.83 180.61 2i2t s ARG 73 N -6.05 3.71 0.04 0.06 1.81 -1.26 -5.08 118.95 112.18 2i2t s ARG 73 Ca -0.13 0.89 -0.00 0.00 -1.72 0.00 0.00 55.73 54.77 2i2t s ARG 73 Cb 0.19 -2.10 -0.03 0.00 -0.45 0.00 0.00 34.95 32.56 2i2t s ARG 73 CO 0.76 -0.47 -0.04 -1.50 -0.68 0.00 0.00 175.30 173.37 2i2t s ILE 74 N -2.86 0.23 0.25 1.52 1.10 -1.26 -4.03 121.20 116.14 2i2t s ILE 74 Ca 0.58 -1.45 0.11 0.00 -0.51 0.00 0.00 60.65 59.37 2i2t s ILE 74 Cb -0.11 -1.02 -0.05 0.00 0.15 0.00 0.00 42.46 41.44 2i2t s ILE 74 CO 0.42 -0.77 -0.19 -0.83 -2.11 0.00 0.00 174.94 171.46 2i2t s GLY 75 N -2.32 1.72 -0.03 1.50 0.00 -1.05 -4.94 107.32 102.20 2i2t s GLY 75 Ca -0.02 -1.78 -0.02 0.00 0.00 0.00 0.00 44.72 42.90 2i2t s GLY 75 CO -0.06 -1.87 0.08 -1.60 0.00 0.00 0.00 173.10 169.65 2i2t s ARG 76 N -3.45 0.07 0.94 2.90 3.52 -1.26 0.14 118.95 121.81 2i2t s ARG 76 Ca 0.26 0.15 -0.15 0.00 -0.13 0.00 0.00 55.73 55.86 2i2t s ARG 76 Cb -0.04 -0.02 0.17 0.00 -1.56 0.00 0.00 34.95 33.50 2i2t s ARG 76 CO 0.12 -0.05 1.25 1.03 -0.81 0.00 0.00 175.30 176.84 2i2t s ARG 77 N 0.30 0.88 0.51 5.12 0.52 -1.10 -4.98 118.95 120.20 2i2t s ARG 77 Ca -0.02 -0.17 0.04 0.00 -0.52 0.00 0.00 55.73 55.06 2i2t s ARG 77 Cb -0.03 -1.85 0.03 0.00 0.52 0.00 0.00 34.95 33.62 2i2t s ARG 77 CO -0.01 -2.29 0.71 0.45 0.02 0.00 0.00 175.30 174.18 2i2t s SER 78 N -4.64 5.36 0.28 0.23 0.15 -1.26 -4.80 113.70 109.02 2i2t s SER 78 Ca 0.70 -0.23 0.06 0.00 0.70 0.00 0.00 55.95 57.18 2i2t s SER 78 Cb -0.07 -0.69 -0.03 0.00 -1.71 0.00 0.00 66.02 63.53 2i2t s SER 78 CO 0.52 -1.05 0.34 -1.81 1.20 0.00 0.00 173.24 172.44 2i2t s ASP 79 N -4.43 5.87 0.00 5.45 -0.00 -1.22 -4.09 116.67 118.25 2i2t s ASP 79 Ca 0.57 -0.17 0.00 0.00 -0.00 0.00 0.00 52.55 52.96 2i2t s ASP 79 Cb -0.10 -1.44 0.00 0.00 -0.00 0.00 0.00 42.92 41.38 2i2t s ASP 79 CO 0.37 -0.20 0.00 -2.67 -0.00 0.00 0.00 175.17 172.67 2i2t n TRP 80 N -1.41 -0.39 -4.29 4.23 4.27 -0.87 -4.94 117.44 114.05 2i2t n TRP 80 Ca -0.05 0.00 -0.23 0.00 -3.89 0.00 0.00 57.50 53.33 2i2t n TRP 80 Cb 0.58 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.40 2i2t n TRP 80 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 2i2t s LYS 81 N -0.33 1.08 -0.08 -2.67 2.47 -1.25 -0.02 119.74 118.94 2i2t s LYS 81 Ca 0.00 -1.11 0.01 0.00 -1.56 0.00 0.00 55.97 53.32 2i2t s LYS 81 Cb 0.00 -1.29 -0.02 0.00 -1.46 0.00 0.00 37.83 35.05 2i2t s LYS 81 CO 0.00 0.30 -0.12 0.15 0.16 0.00 0.00 175.35 175.85 2i2t s LYS 82 N -1.83 2.88 0.00 4.03 1.02 -0.84 -2.77 119.74 122.23 2i2t s LYS 82 Ca 0.05 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.39 2i2t s LYS 82 Cb -0.10 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.68 2i2t s LYS 82 CO 0.04 0.49 0.29 0.00 -0.92 0.00 0.00 175.35 175.25 2i2t n ALA 83 N 2.71 -0.08 -3.59 5.17 0.00 -0.93 -3.44 120.51 120.35 2i2t n ALA 83 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.04 2i2t n ALA 83 Cb 0.52 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.05 2i2t n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2i2t n TYR 84 N -1.05 -2.60 -0.14 0.00 0.53 -1.15 -3.89 117.16 108.86 2i2t n TYR 84 Ca 0.00 0.98 -0.04 0.00 -1.02 0.00 0.00 57.90 57.82 2i2t n TYR 84 Cb 0.00 -4.93 0.03 0.00 -1.03 0.00 0.00 39.34 33.41 2i2t n TYR 84 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 2i2t h VAL 85 N -2.39 0.53 -4.56 -0.72 2.07 0.31 -3.19 116.25 108.30 2i2t h VAL 85 Ca -0.58 0.00 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2i2t h VAL 85 Cb 1.36 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 2i2t h VAL 85 CO 0.55 0.00 -1.13 0.35 0.02 0.00 0.00 177.57 177.37 2i2t n THR 86 N -5.34-12.06 -1.97 2.57 -2.24 -1.25 -3.74 114.28 90.24 2i2t n THR 86 Ca 0.04 2.68 -0.29 0.00 -2.27 0.00 0.00 64.05 64.21 2i2t n THR 86 Cb 0.25 -5.98 0.08 0.00 -2.10 0.00 0.00 70.33 62.58 2i2t n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2i2t s LEU 87 N -0.56 2.66 0.00 3.22 1.43 -1.26 -2.63 118.68 121.54 2i2t s LEU 87 Ca -0.12 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 2i2t s LEU 87 Cb 0.01 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.85 2i2t s LEU 87 CO 0.32 -1.72 0.00 0.29 0.23 0.00 0.00 176.35 175.47 2i2t n LYS 88 N -3.16 0.00 0.00 1.70 4.76 -1.26 -3.77 118.16 116.43 2i2t n LYS 88 Ca 0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 2i2t n LYS 88 Cb 0.60 -0.29 0.00 0.00 -1.84 0.00 0.00 35.03 33.50 2i2t n LYS 88 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2i2t n GLU 89 N 0.00 0.00 -1.72 1.97 -0.58 -1.26 -4.76 120.64 114.29 2i2t n GLU 89 Ca 0.00 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.43 2i2t n GLU 89 Cb 0.00 -0.11 0.05 0.00 -0.57 0.00 0.00 31.44 30.81 2i2t n GLU 89 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2i2t n GLY 90 N 0.00 6.04 3.64 0.62 0.00 -1.26 -5.03 105.19 109.20 2i2t n GLY 90 Ca 0.00 -2.49 -0.50 0.00 0.00 0.00 0.00 46.02 43.04 2i2t n GLY 90 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2i2t n GLN 91 N -0.78 1.63 0.18 1.61 6.02 -1.26 -4.78 117.38 120.01 2i2t n GLN 91 Ca 0.54 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 58.12 2i2t n GLN 91 Cb 0.73 -2.30 0.00 0.00 1.02 0.00 0.00 30.24 29.68 2i2t n GLN 91 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2i2t n ASN 92 N 3.39 -1.69 0.00 1.08 5.03 -1.26 -5.17 115.26 116.63 2i2t n ASN 92 Ca 0.19 0.65 0.00 0.00 0.87 0.00 0.00 54.58 56.29 2i2t n ASN 92 Cb 0.23 1.73 0.00 0.00 -1.02 0.00 0.00 39.78 40.72 2i2t n ASN 92 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61